Model name: model_name=EAM_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_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=4.032082897424699 cohesive_energy=3.3602642542189236 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: 0.010444238644556781 Energy: 0.4118019010746747 Energy: 0.010444238644556781 Energy: 0.4118019010746747 Energy: 0.010444238644304696 Energy: 0.4118019010746747 Energy: 0.4118019010746747 Energy: 0.4118019010746747 Energy: 0.4118019010746747 Energy: 0.4118019010746747 Energy: 0.41180190107492676 Energy: 0.41180190107492676 Energy: 0.010444238644556781 Energy: 0.4118019010746747 Energy: 0.010444238644556781 Energy: 0.41180190107442266 Energy: 0.010444238644304696 Energy: 0.41180190107442266 Energy: 0.4118019010746747 Energy: 0.4118019010746747 Energy: 0.4118019010746747 Energy: 0.4118019010746747 Energy: 0.4118019010746747 Energy: 0.4118019010746747 Energy: 0.010444238644556781 Energy: 0.41180190107492676 Energy: 0.010444238644304696 Energy: 0.41180190107442266 Energy: 0.010444238644304696 Energy: 0.4118019010746747 Energy: 0.41180190107442266 Energy: 0.41180190107442266 Energy: 0.4118019010746747 Energy: 0.4118019010746747 Energy: 0.4118019010746747 Energy: 0.4118019010746747 minimum gb energy = 0.010444238644304696 eV minimum distance = 2.78716072522842 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.5446550712088836 Energy: 0.5525896651230306 Energy: 0.5446550712088836 Energy: 0.5525896651224238 Energy: 0.5446550712088836 Energy: 0.5525896651224238 Energy: 0.6114921564958598 Energy: 0.4878400509150411 Energy: 0.6114921564958598 Energy: 0.4878400509150411 Energy: 0.6114921564958598 Energy: 0.4878400509150411 Energy: 0.5316171477975196 Energy: 0.5596338000228316 Energy: 0.5316171477987333 Energy: 0.5596338000222248 Energy: 0.5316171477981264 Energy: 0.5596338000234384 Energy: 0.5931058811738539 Energy: 0.5022176615264382 Energy: 0.5931058811732469 Energy: 0.502217661527045 Energy: 0.5931058811726402 Energy: 0.5022176615264382 Energy: 0.5292038633172286 Energy: 0.5674124116801781 Energy: 0.5292038633178353 Energy: 0.5674124116801781 Energy: 0.5292038633166218 Energy: 0.5674124116795713 Energy: 0.5460132123370192 Energy: 0.49703151861368616 Energy: 0.5460132123370192 Energy: 0.49703151861368616 Energy: 0.5460132123370192 Energy: 0.49703151861307937 Energy: 0.5157051304008047 Energy: 0.540767921867253 Energy: 0.5157051304014114 Energy: 0.5407679218666461 Energy: 0.5157051304014114 Energy: 0.5407679218666461 Energy: 0.5006528675001043 Energy: 0.5844823762102035 Energy: 0.500652867500711 Energy: 0.5844823762108102 Energy: 0.500652867500711 Energy: 0.5844823762114171 Energy: 0.5606179906264572 Energy: 0.5359026191464 Energy: 0.5606179906264572 Energy: 0.5359026191457933 Energy: 0.5606179906264572 Energy: 0.5359026191457933 Energy: 0.48441293822557685 Energy: 0.5550680366932367 Energy: 0.48441293822497006 Energy: 0.5550680366956638 Energy: 0.48441293822557685 Energy: 0.5550680366926299 Energy: 0.5160033247209135 Energy: 0.48635505542086227 Energy: 0.5160033247203067 Energy: 0.48635505542086227 Energy: 0.5160033247197 Energy: 0.48635505542086227 Energy: 0.4855211923860997 Energy: 0.6373226802362901 Energy: 0.48552119238670643 Energy: 0.6373226802362901 Energy: 0.4855211923860997 Energy: 0.6373226802356833 Energy: 0.5838050851785678 Energy: 0.4785880337203932 Energy: 0.583805085177961 Energy: 0.478588033721 Energy: 0.5838050851773542 Energy: 0.4785880337203932 Energy: 0.5056315885975864 Energy: 0.5103019020228073 Energy: 0.5056315885975864 Energy: 0.5103019020215938 Energy: 0.5056315885975864 Energy: 0.5103019020222005 Energy: 0.6208910047301041 Energy: 0.49291966744685906 Energy: 0.6208910047301041 Energy: 0.49291966744627985 Energy: 0.6208910047307108 Energy: 0.49291966744627985 Energy: 0.5921592525471172 Energy: 0.5582915352181972 Energy: 0.5921592525471172 Energy: 0.5582915352181972 Energy: 0.5921592525471172 Energy: 0.558291535218804 Energy: 0.52868446291194 Energy: 0.5193242240417497 Energy: 0.5286844629113331 Energy: 0.5193242240429633 Energy: 0.52868446291194 Energy: 0.5193242240423566 Energy: 0.5246677264493853 Energy: 0.5296906955416087 Energy: 0.5246677264505989 Energy: 0.5296906955422155 Energy: 0.524667726449992 Energy: 0.5296906955422155 Energy: 0.5180191715670573 Energy: 0.5045284010468698 Energy: 0.5180191715670573 Energy: 0.5045284010462631 Energy: 0.518019171567664 Energy: 0.5045284010462631 Energy: 0.5841918064496913 Energy: 0.49713284863356033 Energy: 0.5841918064502981 Energy: 0.49713284863295354 Energy: 0.5841918064502981 Energy: 0.49713284863295354 Energy: 0.502691503952373 Energy: 0.6528363173291023 Energy: 0.5026915039535866 Energy: 0.6528363173291023 Energy: 0.502691503952373 Energy: 0.6528363173291023 Energy: 0.5442394142665 Energy: 0.5352751625505637 Energy: 0.5442394142658932 Energy: 0.5352751625505637 Energy: 0.5442394142671068 Energy: 0.5352751625505637 Energy: 0.4727285453557434 Energy: 0.5739290812872441 Energy: 0.4727285453557434 Energy: 0.5739290812884577 Energy: 0.4727285453563502 Energy: 0.5739290812878509 minimum gb energy = 0.4727285453557434 eV minimum distance = 2.58793956058723 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.5324454176523352 Energy: 0.5392155406709096 Energy: 0.5130910117067586 Energy: 0.5392155406681485 Energy: 0.5324454176530254 Energy: 0.5392155406705644 Energy: 0.5741990139880734 Energy: 0.5117488135262334 Energy: 0.5741990139860026 Energy: 0.5117488135265784 Energy: 0.5741990139877282 Energy: 0.5117488135262334 Energy: 0.5077842135353637 Energy: 0.5179507270244149 Energy: 0.5077842135346735 Energy: 0.5179507270147823 Energy: 0.507784213533638 Energy: 0.5179507270219988 Energy: 0.5564538958087045 Energy: 0.5502639825652219 Energy: 0.5564538958131914 Energy: 0.5502639825648767 Energy: 0.556453895812156 Energy: 0.5502639825648767 Energy: 0.5162775243268738 Energy: 0.5922219858854869 Energy: 0.5162775243282544 Energy: 0.5922219858861772 Energy: 0.5162775243327412 Energy: 0.5922219858858321 Energy: 0.5117020158781922 Energy: 0.5075066196151208 Energy: 0.5117020158737053 Energy: 0.5075066196095984 Energy: 0.5117020158723248 Energy: 0.5075066196082179 Energy: 0.5444480153819827 Energy: 0.5140834485747141 Energy: 0.5444480153860931 Energy: 0.5140834485743688 Energy: 0.5444480153812924 Energy: 0.5140834485740237 Energy: 0.482248098155691 Energy: 0.5340952344450933 Energy: 0.4822480981574166 Energy: 0.5340952344426773 Energy: 0.48224809816052294 Energy: 0.5340952344450933 Energy: 0.5172927705968109 Energy: 0.4933994562200495 Energy: 0.517292770595085 Energy: 0.49339945622246545 Energy: 0.5172927705940498 Energy: 0.49339945622246545 Energy: 0.47100446832420834 Energy: 0.606165179305654 Energy: 0.47100468705035864 Energy: 0.6061651793022025 Energy: 0.4710044683200666 Energy: 0.6061651793025477 Energy: 0.5819660208601276 Energy: 0.46330866996662434 Energy: 0.5819660208590922 Energy: 0.463308669965934 Energy: 0.5819660208577117 Energy: 0.463308669965934 Energy: 0.49300580760707113 Energy: 0.5318220542825088 Energy: 0.49299821857110665 Energy: 0.5318220542825088 Energy: 0.49300580761017737 Energy: 0.5318220542831991 Energy: 0.5150221336597474 Energy: 0.5012033533272857 Energy: 0.5150221336597474 Energy: 0.5012033533262503 Energy: 0.5150221336583668 Energy: 0.5012033533262503 Energy: 0.5168533175148003 Energy: 0.542247835277367 Energy: 0.5168533175144553 Energy: 0.5422478352749509 Energy: 0.5168533175134198 Energy: 0.5422478352735703 Energy: 0.5494665687071814 Energy: 0.5030091772981861 Energy: 0.5494665687078717 Energy: 0.5030091772947346 Energy: 0.5494665687082168 Energy: 0.5030091772954249 Energy: 0.5069713728288839 Energy: 0.500434829307565 Energy: 0.5069713728306096 Energy: 0.5004348293086005 Energy: 0.506971372826468 Energy: 0.5004348293096359 Energy: 0.5707677119543605 Energy: 0.5206063527613805 Energy: 0.5707677119560862 Energy: 0.5206063527620707 Energy: 0.5707677119564315 Energy: 0.5206063527624158 Energy: 0.5157013123237261 Energy: 0.5015374026745184 Energy: 0.5157013123237261 Energy: 0.5015374026772481 Energy: 0.5157013123220003 Energy: 0.501537402676903 Energy: 0.5115350198194667 Energy: 0.5342600288347551 Energy: 0.5115350198208474 Energy: 0.5342600288378614 Energy: 0.5115350198205023 Energy: 0.5342600288368261 Energy: 0.5406533686409639 Energy: 0.5138808241115932 Energy: 0.5406533686406187 Energy: 0.5138808241105578 Energy: 0.5406533686433799 Energy: 0.5138808241105578 Energy: 0.46784033566377947 Energy: 0.5340908086773518 Energy: 0.4678403356606731 Energy: 0.5340908086752809 Energy: 0.46784033565618627 Energy: 0.5340908086714843 Energy: 0.5623246291995516 Energy: 0.5068019507103492 Energy: 0.5623246291988612 Energy: 0.5068019507169069 Energy: 0.5623246291985161 Energy: 0.5068019507169069 Energy: 0.461562645305609 Energy: 0.6145485424978291 Energy: 0.4615604614606228 Energy: 0.6145485424978291 Energy: 0.4615626453066445 Energy: 0.6145485424974838 Energy: 0.5795141479258642 Energy: 0.5174652502135981 Energy: 0.57951414792828 Energy: 0.5174652502108369 Energy: 0.5795141479317315 Energy: 0.5174652502104918 Energy: 0.5080724827219852 Energy: 0.5114399386502592 Energy: 0.5079793941498045 Energy: 0.5114399386488786 Energy: 0.5080724827202594 Energy: 0.5114399386495689 Energy: 0.5333274722551584 Energy: 0.5812440590867338 Energy: 0.5140434564795283 Energy: 0.5812440590884596 Energy: 0.5333274722544682 Energy: 0.5812440590888046 Energy: 0.5339044913087495 Energy: 0.5689300055049143 Energy: 0.5141824759325435 Energy: 0.5689300055059497 Energy: 0.5339044913097849 Energy: 0.5689300055056047 Energy: 0.5151975738075858 Energy: 0.5304507915817321 Energy: 0.5151975738082761 Energy: 0.5304507915800064 Energy: 0.5151975738103469 Energy: 0.5304507915800064 Energy: 0.6033010400496613 Energy: 0.5011630223959727 Energy: 0.6033010400510419 Energy: 0.5011630223952823 Energy: 0.6033010400538031 Energy: 0.5011630223952823 Energy: 0.4616801557933412 Energy: 0.5894266530784326 Energy: 0.46168015579610244 Energy: 0.5894266530805033 Energy: 0.46168015579679267 Energy: 0.5894266530808484 Energy: 0.515864034993977 Energy: 0.49341966454816777 Energy: 0.5158640349932868 Energy: 0.4934196645485129 Energy: 0.515864034991216 Energy: 0.49341966454885805 Energy: 0.5030613511743623 Energy: 0.5150119427633051 Energy: 0.5030613511747074 Energy: 0.5150119427591948 Energy: 0.5030613511750527 Energy: 0.5150119427591948 Energy: 0.5404078107475362 Energy: 0.513972869680453 Energy: 0.5404078107485717 Energy: 0.5139728696776918 Energy: 0.5404078107461556 Energy: 0.5139728696776918 Energy: 0.502803343038623 Energy: 0.5480246386230728 Energy: 0.502803343038623 Energy: 0.548024638623418 Energy: 0.5028033430413842 Energy: 0.5480246386216923 Energy: 0.5184547382577513 Energy: 0.5082270156189104 Energy: 0.5184547382601673 Energy: 0.5082270156154589 Energy: 0.5184547382594771 Energy: 0.5082270156154589 Energy: 0.5525150172778884 Energy: 0.5556546971594977 Energy: 0.5525150172751272 Energy: 0.555654697155701 Energy: 0.5525150172768529 Energy: 0.5556546971553559 Energy: 0.5017949231162093 Energy: 0.5168857769862518 Energy: 0.501965858657662 Energy: 0.5168857769865969 Energy: 0.5017949231141384 Energy: 0.5168857769841809 Energy: 0.5343453255896526 Energy: 0.5126226572368158 Energy: 0.534345325590343 Energy: 0.5126226572388867 Energy: 0.5343453255889623 Energy: 0.5126226572406124 Energy: 0.5169341544082356 Energy: 0.5427559440339361 Energy: 0.5169341544075454 Energy: 0.5427559440356619 Energy: 0.5169341544058197 Energy: 0.5427559440360069 Energy: 0.5343523935225508 Energy: 0.4804434809378615 Energy: 0.5343523935187542 Energy: 0.48044348093510036 Energy: 0.5343523935197896 Energy: 0.48044348093475525 Energy: 0.49299355848057064 Energy: 0.5157967475985089 Energy: 0.4929935584833318 Energy: 0.5157967475981636 Energy: 0.49299355848195126 Energy: 0.5157967475981636 minimum gb energy = 0.4615604614606228 eV minimum distance = 2.65733625352844 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.5422966093958175 Energy: 0.5536474712148385 Energy: 0.5422966093958175 Energy: 0.5536474712148385 Energy: 0.5422966093958175 Energy: 0.5536474712148385 Energy: 0.5875001069674161 Energy: 0.49334623258565585 Energy: 0.5875001069674161 Energy: 0.49334623258565585 Energy: 0.5875001069674161 Energy: 0.49334623258565585 Energy: 0.4851306750264568 Energy: 0.5357634608263019 Energy: 0.48513067502725654 Energy: 0.5357634608215037 Energy: 0.48513067502565715 Energy: 0.5357634608207041 Energy: 0.513650318520572 Energy: 0.4730372905340534 Energy: 0.513650318520572 Energy: 0.4730372905340534 Energy: 0.513650318520572 Energy: 0.4730372905340534 Energy: 0.5518359041763805 Energy: 0.5244230940322877 Energy: 0.5518359041763805 Energy: 0.5244230940330873 Energy: 0.5518359041755808 Energy: 0.5244230940330873 Energy: 0.5662332932662563 Energy: 0.5243797127180846 Energy: 0.5662332932654566 Energy: 0.5243797127180846 Energy: 0.5662332932662563 Energy: 0.5243797127180846 Energy: 0.5427263068739966 Energy: 0.5267300691426525 Energy: 0.5427263068747963 Energy: 0.5267300691426525 Energy: 0.5427263068739966 Energy: 0.5267300691426525 Energy: 0.4845031453858739 Energy: 0.5249311682985709 Energy: 0.4845031453858739 Energy: 0.5249311682993706 Energy: 0.4845031453858739 Energy: 0.5249311682985709 Energy: 0.6013780063410599 Energy: 0.4673038487839422 Energy: 0.6013780063410599 Energy: 0.4673038487839422 Energy: 0.6013780063410599 Energy: 0.4673038487839422 Energy: 0.493033992050234 Energy: 0.6146821224265988 Energy: 0.493033992050234 Energy: 0.6146821224265988 Energy: 0.493033992050234 Energy: 0.6146821224273985 Energy: 0.6076699005508835 Energy: 0.47593580123511076 Energy: 0.6076699005508835 Energy: 0.47593580123511076 Energy: 0.6076699005492843 Energy: 0.47593580123511076 Energy: 0.5531293836487695 Energy: 0.5549368669771396 Energy: 0.5531293836487695 Energy: 0.5549368669771396 Energy: 0.5531293836487695 Energy: 0.5549368669763399 Energy: 0.6181569096842413 Energy: 0.49480624331569 Energy: 0.6181569096842413 Energy: 0.49480624331569 Energy: 0.6181569096842413 Energy: 0.49480624331569 Energy: 0.4861201178208078 Energy: 0.5196714483212391 Energy: 0.4861201178208078 Energy: 0.519671448324438 Energy: 0.4861201178208078 Energy: 0.5196714483228385 Energy: 0.5127388735211428 Energy: 0.5403595290041815 Energy: 0.5127388735211428 Energy: 0.5403595290041815 Energy: 0.5127388735211428 Energy: 0.5403595290049812 Energy: 0.5710416627348684 Energy: 0.5242240705320191 Energy: 0.5710416627348684 Energy: 0.5242240705320191 Energy: 0.5710416627356683 Energy: 0.5242240705320191 Energy: 0.533194089363339 Energy: 0.6087944385905533 Energy: 0.5331940893625393 Energy: 0.6087944385905533 Energy: 0.5331940893625393 Energy: 0.6087944385905533 Energy: 0.5036635092824642 Energy: 0.5240678637997132 Energy: 0.5036635092824642 Energy: 0.5240678638005128 Energy: 0.5036635092824642 Energy: 0.5240678638005128 minimum gb energy = 0.4673038487839422 eV minimum distance = 2.58246544086942 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.4631535780871434 Energy: 0.4253603793077896 Energy: 0.46315357808666907 Energy: 0.4253603793082639 Energy: 0.4631535780861946 Energy: 0.4253603793082639 Energy: 0.5582121811189248 Energy: 0.5582701760653013 Energy: 0.5582121811189248 Energy: 0.5582701760653013 Energy: 0.5582121811184504 Energy: 0.5582701760643526 Energy: 0.39863085695711115 Energy: 0.5687057027516594 Energy: 0.39863085695711115 Energy: 0.5687057027535568 Energy: 0.39863085695711115 Energy: 0.5687057027526081 Energy: 0.5109644350512728 Energy: 0.39861529840524274 Energy: 0.5109644350512728 Energy: 0.39861529840571713 Energy: 0.5109644350545931 Energy: 0.39861529840571713 Energy: 0.4304219850618664 Energy: 0.4980046391545045 Energy: 0.4304219850618664 Energy: 0.4980046391545045 Energy: 0.430421985061392 Energy: 0.4980046391545045 Energy: 0.4301812995397241 Energy: 0.49980349007184605 Energy: 0.4301812995401985 Energy: 0.49980349007184605 Energy: 0.4301812995397241 Energy: 0.49980349007184605 Energy: 0.511060437253976 Energy: 0.3986049385937777 Energy: 0.5110604372544503 Energy: 0.3986049385937777 Energy: 0.5110604372553991 Energy: 0.3986049385937777 Energy: 0.3986333668152827 Energy: 0.5686052250450202 Energy: 0.3986333668152827 Energy: 0.5686052250440714 Energy: 0.39863336681480843 Energy: 0.5686052250416996 Energy: 0.5581606756085581 Energy: 0.5583118600161037 Energy: 0.5581606756104557 Energy: 0.5583118600156295 Energy: 0.5581606756099813 Energy: 0.5583118600156295 Energy: 0.4631535780857204 Energy: 0.42536037930873827 Energy: 0.4631535780857204 Energy: 0.4253603793082639 Energy: 0.4631535780861946 Energy: 0.4253603793082639 Energy: 0.5582121811184504 Energy: 0.5582701760638783 Energy: 0.5582121811184504 Energy: 0.5582701760624551 Energy: 0.5582121811189248 Energy: 0.5582701760643526 Energy: 0.39863085695711115 Energy: 0.5687057027540311 Energy: 0.39863085695711115 Energy: 0.568705702751185 Energy: 0.3986308569566368 Energy: 0.5687057027516594 Energy: 0.5109644350522213 Energy: 0.39861529840571713 Energy: 0.5109644350522213 Energy: 0.39861529840524274 Energy: 0.5109644350517469 Energy: 0.39861529840524274 Energy: 0.43042198506279356 Energy: 0.4980046391535558 Energy: 0.43042198506279356 Energy: 0.4980046391545045 Energy: 0.4304219850623192 Energy: 0.4980046391545045 Energy: 0.4301812995397241 Energy: 0.49980349007232033 Energy: 0.4301812995397241 Energy: 0.49980349007137165 Energy: 0.4301812995401985 Energy: 0.49980349007184605 Energy: 0.5110604372544503 Energy: 0.3986049385937777 Energy: 0.5110604372549247 Energy: 0.3986049385937777 Energy: 0.5110604372544503 Energy: 0.3986049385937777 Energy: 0.39863336681480843 Energy: 0.5686052250454946 Energy: 0.39863336681480843 Energy: 0.5686052250431228 Energy: 0.3986333668152827 Energy: 0.5686052250416996 Energy: 0.5581606756080839 Energy: 0.5583118600170525 Energy: 0.5581606756099813 Energy: 0.5583118600170525 Energy: 0.5581606756095069 Energy: 0.5583118600170525 Energy: 0.46315357808761776 Energy: 0.4253603793077896 Energy: 0.46315357808761776 Energy: 0.42536037930873827 Energy: 0.4631535780871434 Energy: 0.4253603793082639 Energy: 0.5582121811179762 Energy: 0.558270176064827 Energy: 0.5582121811179762 Energy: 0.5582701760638783 Energy: 0.5582121811184504 Energy: 0.5582701760634039 Energy: 0.39863085695711115 Energy: 0.5687057027568774 Energy: 0.39863085695711115 Energy: 0.5687057027540311 Energy: 0.39863085695711115 Energy: 0.5687057027549799 Energy: 0.5109644350526957 Energy: 0.39861529840571713 Energy: 0.5109644350522213 Energy: 0.39861529840524274 Energy: 0.5109644350512728 Energy: 0.39861529840524274 Energy: 0.4304219850618664 Energy: 0.4980046391549789 Energy: 0.4304219850618664 Energy: 0.4980046391545045 Energy: 0.4304219850623192 Energy: 0.4980046391545045 Energy: 0.4301812995397241 Energy: 0.49980349007232033 Energy: 0.4301812995397241 Energy: 0.49980349007184605 Energy: 0.4301812995401985 Energy: 0.49980349007232033 Energy: 0.5110604372544503 Energy: 0.3986049385937777 Energy: 0.5110604372544503 Energy: 0.3986049385937777 Energy: 0.5110604372544503 Energy: 0.3986049385937777 Energy: 0.39863336681480843 Energy: 0.5686052250440714 Energy: 0.39863336681480843 Energy: 0.5686052250445458 Energy: 0.39863336681480843 Energy: 0.568605225042174 Energy: 0.5581606756095069 Energy: 0.5583118600161037 Energy: 0.5581606756095069 Energy: 0.5583118600170525 Energy: 0.5581606756099813 Energy: 0.5583118600165781 Energy: 0.4631535780857204 Energy: 0.4253603793082639 Energy: 0.4631535780871434 Energy: 0.4253603793082639 Energy: 0.46315357808761776 Energy: 0.4253603793092126 Energy: 0.5582121811179762 Energy: 0.5582701760624551 Energy: 0.5582121811189248 Energy: 0.5582701760638783 Energy: 0.5582121811184504 Energy: 0.5582701760638783 Energy: 0.39863085695711115 Energy: 0.5687057027578261 Energy: 0.39863085695711115 Energy: 0.5687057027587747 Energy: 0.39863085695711115 Energy: 0.568705702759249 minimum gb energy = 0.3986049385937777 eV minimum distance = 2.582762048131 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.4732014974187191 Energy: 0.4558344390231851 Energy: 0.4732014974187191 Energy: 0.4558344390231851 Energy: 0.4732014974187191 Energy: 0.4558344390231851 Energy: 0.5313429775494969 Energy: 0.4828286237897404 Energy: 0.5313429775483349 Energy: 0.4828286237897404 Energy: 0.531342977547173 Energy: 0.4828286237897404 Energy: 0.40976233773392357 Energy: 0.5171219905756246 Energy: 0.409762335666617 Energy: 0.5171219905814342 Energy: 0.4097623329338165 Energy: 0.5171219905791103 Energy: 0.45881447776975354 Energy: 0.3962015595459129 Energy: 0.45881447776975354 Energy: 0.3962015595459129 Energy: 0.45881447776975354 Energy: 0.3962015595459129 Energy: 0.4947780804039338 Energy: 0.4210020099876145 Energy: 0.4947780804039338 Energy: 0.4210020099841286 Energy: 0.4947780804050957 Energy: 0.42100200998645254 Energy: 0.46689821520661673 Energy: 0.51715685337766 Energy: 0.4668982152054548 Energy: 0.5171568533764981 Energy: 0.4668982152054548 Energy: 0.51715685337766 Energy: 0.4313431570287974 Energy: 0.45457461299245633 Energy: 0.4313431570287974 Energy: 0.45457461299245633 Energy: 0.4313431570287974 Energy: 0.45457461299129437 Energy: 0.4577114309260783 Energy: 0.4306740483773487 Energy: 0.4577114309260783 Energy: 0.4306740483773487 Energy: 0.4577114309260783 Energy: 0.4306740483773487 Energy: 0.4786751273432987 Energy: 0.4386682351448038 Energy: 0.4786751273432987 Energy: 0.4386682351448038 Energy: 0.4786751273467844 Energy: 0.43866823514364184 Energy: 0.4588964849591689 Energy: 0.5083052862485321 Energy: 0.4588964849591689 Energy: 0.5083052862485321 Energy: 0.4588964849591689 Energy: 0.5083052862485321 Energy: 0.4760822892857273 Energy: 0.39593726789675593 Energy: 0.4760822892857273 Energy: 0.39593726789675593 Energy: 0.43129512035465445 Energy: 0.39593726789675593 Energy: 0.49285464850238947 Energy: 0.47780612274112944 Energy: 0.49285464850238947 Energy: 0.4778061236981087 Energy: 0.49285464850238947 Energy: 0.4778061038832846 minimum gb energy = 0.39593726789675593 eV minimum distance = 2.57936151920142 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.4201629179807602 Energy: 0.4029483587742644 Energy: 0.4201629179807602 Energy: 0.40294835877720264 Energy: 0.42016291797978084 Energy: 0.40294835877295854 Energy: 0.5710959060187484 Energy: 0.383451582930644 Energy: 0.5710959060194013 Energy: 0.3834515829303176 Energy: 0.5710959060197278 Energy: 0.38345158292999104 Energy: 0.36765447543355806 Energy: 0.5780466897412636 Energy: 0.36765447543453744 Energy: 0.5780466897402842 Energy: 0.367654475434211 Energy: 0.5780466897406107 Energy: 0.4058920127209315 Energy: 0.38412193130949074 Energy: 0.40589201271995207 Energy: 0.3841219313098172 Energy: 0.4058920127209315 Energy: 0.38412193130949074 Energy: 0.398418420216059 Energy: 0.3830165674253849 Energy: 0.3984184202180178 Energy: 0.3830165674260378 Energy: 0.3984184202193237 Energy: 0.38301656742505835 Energy: 0.4094493031234186 Energy: 0.400532649943017 Energy: 0.4094493031208068 Energy: 0.39471516294239994 Energy: 0.40944930311982736 Energy: 0.40657354014336955 Energy: 0.3990227020447334 Energy: 0.4415028439024209 Energy: 0.39902270204603923 Energy: 0.44150284390144146 Energy: 0.39902270204603923 Energy: 0.4415028439017679 Energy: 0.36471380300352313 Energy: 0.4457758654275868 Energy: 0.36471380300287015 Energy: 0.4457758654275868 Energy: 0.3647138030025437 Energy: 0.4457758654275868 Energy: 0.5158945688313049 Energy: 0.38224369163306476 Energy: 0.5158945688316313 Energy: 0.3822436916346972 Energy: 0.5158945688313049 Energy: 0.3822436916340442 Energy: 0.40477399307817274 Energy: 0.5028084691960063 Energy: 0.4047739930791522 Energy: 0.5028084689777141 Energy: 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Energy: 0.3874873954938774 Energy: 0.47117091058661376 Energy: 0.48811861183258964 Energy: 0.4711709105862873 Energy: 0.4881186118355279 Energy: 0.4711709105862873 Energy: 0.4881186118348749 Energy: 0.3742818904039025 Energy: 0.38700458512562375 Energy: 0.3742818904065143 Energy: 0.3870045851252973 Energy: 0.3742818904058613 Energy: 0.3870045851262767 Energy: 0.38576583323316876 Energy: 0.4164548092125786 Energy: 0.3857658332338217 Energy: 0.41645480921290506 Energy: 0.38576583323316876 Energy: 0.4164548092122521 Energy: 0.42085968421751474 Energy: 0.40178853651865415 Energy: 0.4208596842178412 Energy: 0.40178853651734825 Energy: 0.4208596842171883 Energy: 0.40178853651767477 Energy: 0.41675731157998425 Energy: 0.3824403848345072 Energy: 0.4167573115809637 Energy: 0.38244038483320136 Energy: 0.41675731157769896 Energy: 0.38244038483189546 Energy: 0.3615190602935979 Energy: 0.38468870736231514 Energy: 0.36151906029523023 Energy: 0.38468870736231514 Energy: 0.36151906029327147 Energy: 0.38468870736231514 Energy: 0.4064187755231562 Energy: 0.39154255072965827 Energy: 0.4064187755231562 Energy: 0.39154255072933175 Energy: 0.4064187755231562 Energy: 0.39154255072965827 Energy: 0.40478323988485654 Energy: 0.5799747721953783 Energy: 0.4047832398855095 Energy: 0.5799747721970108 Energy: 0.40478323988485654 Energy: 0.5799747721970108 Energy: 0.5156862190274981 Energy: 0.3822015093051413 Energy: 0.5156862190274981 Energy: 0.3822015093057943 Energy: 0.5156862190268452 Energy: 0.38220150931069136 Energy: 0.36463094948119884 Energy: 0.4458160884949724 Energy: 0.36463094948054586 Energy: 0.4458160884943194 Energy: 0.36463094948054586 Energy: 0.44581608849399296 Energy: 0.3989410625139442 Energy: 0.4415740920678465 Energy: 0.3989410625129648 Energy: 0.44157409206882586 Energy: 0.3989410625116589 Energy: 0.4415740920681729 Energy: 0.4096568260438125 Energy: 0.4770859027046624 Energy: 0.4096568260438125 Energy: 0.4770859027049888 Energy: 0.4096568260434861 Energy: 0.47708590269976525 Energy: 0.39833565826834444 Energy: 0.38351641288788196 Energy: 0.3983356582693239 Energy: 0.383516412887229 Energy: 0.39833565826834444 Energy: 0.3835164128852702 Energy: 0.40558503165642984 Energy: 0.38400428224838457 Energy: 0.4055850316570828 Energy: 0.3840042822480581 Energy: 0.40558503165642984 Energy: 0.3840042822480581 Energy: 0.3677882641705008 Energy: 0.5782012021770172 Energy: 0.36778826416952143 Energy: 0.5782012021766908 Energy: 0.3677882641701744 Energy: 0.5782012021760378 Energy: 0.5713006935588419 Energy: 0.4063510656266857 Energy: 0.5713006935572095 Energy: 0.40635106562603274 Energy: 0.5713006935581889 Energy: 0.4063510656263592 Energy: 0.42016291797782196 Energy: 0.4029483587736115 Energy: 0.42016291797782196 Energy: 0.4029483587739379 Energy: 0.4201629179774955 Energy: 0.4029483587745909 Energy: 0.5710959060190749 Energy: 0.3682992463477957 Energy: 0.5710959060213602 Energy: 0.3682992463477957 Energy: 0.5710959060197278 Energy: 0.36829924634812217 Energy: 0.3676544754319257 Energy: 0.5780466897448548 Energy: 0.3676544754329051 Energy: 0.5780466897442018 Energy: 0.3676544754329051 Energy: 0.5780466897435489 Energy: 0.40589201271995207 Energy: 0.38412193130883776 Energy: 0.4058920127196256 Energy: 0.3841219313081848 Energy: 0.4058920127202785 Energy: 0.3841219313085113 Energy: 0.39841842021344726 Energy: 0.38301656742342605 Energy: 0.3984184202163855 Energy: 0.3830165674237525 Energy: 0.3984184202163855 Energy: 0.3830165674230996 minimum gb energy = 0.36151906029327147 eV minimum distance = 2.64542167533694 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.34052027474314944 Energy: 0.29067893110865045 Energy: 0.14317906323507287 Energy: 0.29067893110790727 Energy: 0.3405202747438926 Energy: 0.2906789311064209 Energy: 0.3960584199109393 Energy: 0.2937971331959615 Energy: 0.39605841991168245 Energy: 0.2916663391915304 Energy: 0.39605841991019614 Energy: 0.29379713320487955 Energy: 0.3316410181107333 Energy: 0.4091021734052668 Energy: 0.33164101810850377 Energy: 0.36501570854826626 Energy: 0.3316410181092469 Energy: 0.40910217340600996 Energy: 0.29172575029028486 Energy: 0.2088071736429774 Energy: 0.29172575029325754 Energy: 0.2087663181809214 Energy: 0.2917257502925144 Energy: 0.20880717364520696 Energy: 0.2421560436924787 Energy: 0.3949535675522161 Energy: 0.2421560436947082 Energy: 0.39495356754998656 Energy: 0.2421560436947082 Energy: 0.3949535675507297 Energy: 0.2740150101323114 Energy: 0.33138259752778115 Energy: 0.14343245167777371 Energy: 0.3313825975262948 Energy: 0.2740150101315682 Energy: 0.33138259752778115 Energy: 0.2740748468576295 Energy: 0.18461531816661822 Energy: 0.14353844238602875 Energy: 0.1846153181673614 Energy: 0.2740748468568864 Energy: 0.184615318165875 Energy: 0.3956462444264021 Energy: 0.24155472844146123 Energy: 0.39564624442863167 Energy: 0.24155472843848855 Energy: 0.39564624443011803 Energy: 0.24155472843848855 Energy: 0.2924597138525823 Energy: 0.2087789950024803 Energy: 0.29245971385183916 Energy: 0.2088237137713591 Energy: 0.29245971385183916 Energy: 0.2087789950024803 Energy: 0.18473969460004855 Energy: 0.3541996608772091 Energy: 0.18473969460004855 Energy: 0.354199660876466 Energy: 0.1847396946007917 Energy: 0.354199660876466 Energy: 0.24226225647909833 Energy: 0.36977167511799525 Energy: 0.24226225648058466 Energy: 0.36977167511799525 Energy: 0.24226225647909833 Energy: 0.36977167511873843 Energy: 0.34052027474314944 Energy: 0.29067893110716414 Energy: 0.14317906323507287 Energy: 0.29067893110716414 Energy: 0.34052027474314944 Energy: 0.2906789311064209 Energy: 0.39605841991168245 Energy: 0.293797133167721 Energy: 0.39605841991168245 Energy: 0.2916663391944693 Energy: 0.39605841991242563 Energy: 0.29379713317366635 Energy: 0.3316410181107333 Energy: 0.40910217340675314 Energy: 0.33164101810850377 Energy: 0.36501570854826626 Energy: 0.33164101810850377 Energy: 0.4091021734052668 Energy: 0.29172575028879855 Energy: 0.2088071736407479 Energy: 0.2917257502917712 Energy: 0.20876631817943506 Energy: 0.2917257502925144 Energy: 0.2088071736437206 Energy: 0.242156043693965 Energy: 0.39495356755295924 Energy: 0.24215604369619453 Energy: 0.3949535675507297 Energy: 0.24215604369619453 Energy: 0.3949535675507297 Energy: 0.27401501013379775 Energy: 0.33138259752778115 Energy: 0.14343245167926005 Energy: 0.33138259752778115 Energy: 0.2740150101323114 Energy: 0.33138259752852434 Energy: 0.2740748468576295 Energy: 0.184615318165875 Energy: 0.14353844238528557 Energy: 0.1846153181673614 Energy: 0.2740748468568864 Energy: 0.18461531816513185 Energy: 0.3956462444264021 Energy: 0.24155472844146123 Energy: 0.3956462444278885 Energy: 0.2415547284392317 Energy: 0.39564624443011803 Energy: 0.2415547284392317 minimum gb energy = 0.14317906323507287 eV minimum distance = 2.7651851824988 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.37118754528867715 Energy: 0.3825415181606637 Energy: 0.3711875452892215 Energy: 0.3825415181606637 Energy: 0.3711875452892215 Energy: 0.382541518161208 Energy: 0.42931271424502676 Energy: 0.3549529826567609 Energy: 0.4293127142515594 Energy: 0.3549529826567609 Energy: 0.42931271424720435 Energy: 0.35495298265730524 Energy: 0.40707357248037807 Energy: 0.5412883234788836 Energy: 0.4070735724814668 Energy: 0.5412883234777949 Energy: 0.40707357248037807 Energy: 0.5412883234777949 Energy: 0.4196745308834363 Energy: 0.33744292178310437 Energy: 0.4196745308834363 Energy: 0.3374429217836487 Energy: 0.4196745308839807 Energy: 0.33744292178310437 Energy: 0.36904970716221924 Energy: 0.3152681180697853 Energy: 0.36904970716221924 Energy: 0.3152681180697853 Energy: 0.36904970716276364 Energy: 0.31526811806924093 Energy: 0.389702918862686 Energy: 0.3974616491359032 Energy: 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Energy: 0.3122770964285811 Energy: 0.35635766149122056 Energy: 0.3122770964285811 Energy: 0.3980465835526824 Energy: 0.33898468079438904 Energy: 0.39804658355322686 Energy: 0.33898468079438904 Energy: 0.39804658355322686 Energy: 0.33898468079438904 Energy: 0.4127130053938827 Energy: 0.5237345967494503 Energy: 0.4127130053938827 Energy: 0.5237345967489059 Energy: 0.4127130053938827 Energy: 0.5237345967483614 Energy: 0.43263028609303833 Energy: 0.35677174907437104 Energy: 0.43263028609194953 Energy: 0.3567717490738267 Energy: 0.43263028609303833 Energy: 0.35677174907437104 Energy: 0.3713312659765713 Energy: 0.3831819905045566 Energy: 0.37133126597602684 Energy: 0.3831819905045566 Energy: 0.3713312659765713 Energy: 0.3831819905045566 Energy: 0.3434237120591334 Energy: 0.35332394672219375 Energy: 0.3434237120591334 Energy: 0.35332394672219375 Energy: 0.34342371205858896 Energy: 0.35332394672164946 Energy: 0.46469119405398107 Energy: 0.5337903707136078 Energy: 0.4646911940534367 Energy: 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0.33939782835610394 Energy: 0.3883566540877734 Energy: 0.33939782835610394 Energy: 0.3106449095066429 Energy: 0.4660477154006033 Energy: 0.3106449095066429 Energy: 0.4660477153995145 Energy: 0.3106449095066429 Energy: 0.4660477153995145 Energy: 0.5572914535525736 Energy: 0.4625296696548006 Energy: 0.5572914535525736 Energy: 0.462529669655345 Energy: 0.5572914535525736 Energy: 0.462529669655345 minimum gb energy = 0.2951989798868181 eV minimum distance = 2.64473144310039 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.4203845694036241 Energy: 0.3478103516672165 Energy: 0.4203845694036241 Energy: 0.3478103516672165 Energy: 0.4203845694036241 Energy: 0.3478103516672165 Energy: 0.438202888960096 Energy: 0.4123363660338384 Energy: 0.43820288895966697 Energy: 0.4123363660338384 Energy: 0.43820288895966697 Energy: 0.4123363660342675 Energy: 0.49835663099436905 Energy: 0.6022048672118999 Energy: 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0.49335422794985634 Energy: 0.5179996282453565 Energy: 0.49335422794985634 Energy: 0.31446575110203967 Energy: 0.46155696148464426 Energy: 0.31446575110203967 Energy: 0.39896544664190126 Energy: 0.3144657511007525 Energy: 0.39896544664190126 Energy: 0.34375570890275825 Energy: 0.3419978714829486 Energy: 0.34375570890232915 Energy: 0.3419978714833776 Energy: 0.34375570890275825 Energy: 0.3419978714829486 Energy: 0.4181946910038797 Energy: 0.6035159217241746 Energy: 0.4181946910038797 Energy: 0.6035159217241746 Energy: 0.4181946910038797 Energy: 0.6035159217233165 Energy: 0.46833758193168357 Energy: 0.4127998648353597 Energy: 0.46833758193297076 Energy: 0.4127998648353597 Energy: 0.46833758193211267 Energy: 0.4127998648353597 Energy: 0.4196220787536294 Energy: 0.42771800889547573 Energy: 0.4196220787536294 Energy: 0.38538482252317974 Energy: 0.4196220787536294 Energy: 0.38538482252317974 Energy: 0.31736479498199466 Energy: 0.41282498668604134 Energy: 0.31736479498199466 Energy: 0.41282498668604134 Energy: 0.31736479498156556 Energy: 0.41282498668561224 Energy: 0.49763231825616094 Energy: 0.6103071374947253 Energy: 0.49763231825616094 Energy: 0.6103071374947253 Energy: 0.49763231825616094 Energy: 0.6103071374951543 Energy: 0.3876907151721385 Energy: 0.33828580310726436 Energy: 0.3876907151747129 Energy: 0.33828580310726436 Energy: 0.38769071517342557 Energy: 0.33828580310726436 Energy: 0.3143614566976533 Energy: 0.46224239475108764 Energy: 0.3143614566980824 Energy: 0.41235287963451284 Energy: 0.3143614566976533 Energy: 0.41235287963451284 Energy: 0.31664330218195863 Energy: 0.46480072967512714 Energy: 0.31664330218195863 Energy: 0.46480072967512714 Energy: 0.3166433021823877 Energy: 0.46480072967512714 Energy: 0.3518275267238745 Energy: 0.4370941233651057 Energy: 0.3518275267238745 Energy: 0.46045310671766043 Energy: 0.3518275267243036 Energy: 0.48111894877440914 Energy: 0.3454100583834311 Energy: 0.3382130370273792 Energy: 0.3454100583834311 Energy: 0.3382130370273792 Energy: 0.3454100583838602 Energy: 0.3382130370273792 Energy: 0.3549361902096498 Energy: 0.39108015819252573 Energy: 0.3549361902092207 Energy: 0.39108015819252573 Energy: 0.3549361902092207 Energy: 0.39108015819252573 Energy: 0.39123111937313615 Energy: 0.421428402511705 Energy: 0.3912311193735652 Energy: 0.4214284025112759 Energy: 0.39123111937313615 Energy: 0.4214284025112759 Energy: 0.521674134403071 Energy: 0.45930658297102717 Energy: 0.521674134403071 Energy: 0.45930658297231436 Energy: 0.5216741344035001 Energy: 0.45930658297317245 Energy: 0.3174261130588511 Energy: 0.3891476385839736 Energy: 0.317426113058422 Energy: 0.38914763858440266 Energy: 0.317426113058422 Energy: 0.38914763858440266 Energy: 0.3398079942548387 Energy: 0.3406340770812589 Energy: 0.3398079942548387 Energy: 0.3406340770812589 Energy: 0.33980799425526775 Energy: 0.34063407708168797 Energy: 0.3166950063351631 Energy: 0.40528946556356016 Energy: 0.3166950063351631 Energy: 0.4052894655644183 Energy: 0.3166950063351631 Energy: 0.405289465562702 minimum gb energy = 0.3075535379839551 eV minimum distance = 2.66428291349113 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.3739772132934532 Energy: 0.33706910657231987 Energy: 0.37397721329285083 Energy: 0.3370691065720188 Energy: 0.3739772132925498 Energy: 0.33706910657171757 Energy: 0.415588422847458 Energy: 0.3338677717185426 Energy: 0.4155884228507704 Energy: 0.33386777171824145 Energy: 0.4155884228465546 Energy: 0.33386777171824145 Energy: 0.557476982527382 Energy: 0.5869795746140904 Energy: 0.557476982527382 Energy: 0.5869795746143914 Energy: 0.5574769825282581 Energy: 0.5869795746140904 Energy: 0.3827439410967246 Energy: 0.34103526646904736 Energy: 0.3827439410961223 Energy: 0.3410352664687462 Energy: 0.3827439410961223 Energy: 0.34103526646904736 Energy: 0.33570299299668704 Energy: 0.5506581962676024 Energy: 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Energy: 0.3916008936961075 Energy: 0.3916567174148195 Energy: 0.39160089369791434 Energy: 0.5632111731200534 Energy: 0.3409299702357099 Energy: 0.5632111731206556 Energy: 0.3409299702357099 Energy: 0.5632111731206556 Energy: 0.3409299702357099 Energy: 0.35489001528041836 Energy: 0.5502239060538515 Energy: 0.35489001528071945 Energy: 0.5502239060538515 Energy: 0.35489001528132175 Energy: 0.5502239060538515 Energy: 0.41629420770119735 Energy: 0.3907065006118403 Energy: 0.41629420770210074 Energy: 0.39070650061274376 Energy: 0.41629420770210074 Energy: 0.3907065006058179 Energy: 0.41312483353312934 Energy: 0.3761675933467941 Energy: 0.41312483353312934 Energy: 0.37616759335371996 Energy: 0.41312483353222607 Energy: 0.376167593351311 Energy: 0.3516599925213401 Energy: 0.49000897822478173 Energy: 0.3516599925204367 Energy: 0.4900089782241795 Energy: 0.35165999252073793 Energy: 0.4900089782241795 Energy: 0.5544785868516692 Energy: 0.34077272218111326 Energy: 0.5544785868522714 Energy: 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Energy: 0.5482647321021379 Energy: 0.46509271196085555 Energy: 0.3403311784330423 Energy: 0.48238332900125747 Energy: 0.34033117843334343 Energy: 0.48238332900125747 Energy: 0.3403311784327412 Energy: 0.48238332900125747 Energy: 0.344370005055523 Energy: 0.3407047001110532 Energy: 0.3443700050612444 Energy: 0.3407047001107521 Energy: 0.34437000505702864 Energy: 0.3407047001107521 Energy: 0.35429630076737906 Energy: 0.5503401278671796 Energy: 0.3542963007622873 Energy: 0.5503401278668784 Energy: 0.3542963007676802 Energy: 0.5503401278662762 Energy: 0.4255731410878571 Energy: 0.37412993642892634 Energy: 0.4255731410866526 Energy: 0.37412993642832404 Energy: 0.42557314108815825 Energy: 0.37412993642862524 Energy: 0.3761943274081098 Energy: 0.34273511564058945 Energy: 0.37619432740931436 Energy: 0.3427351156402883 Energy: 0.37619432740871206 Energy: 0.3427351156402883 Energy: 0.39312971647385575 Energy: 0.550120666988211 Energy: 0.3931297164741568 Energy: 0.550120666988211 Energy: 0.3931297164732535 Energy: 0.55012066698791 Energy: 0.3603276658962183 Energy: 0.5806707774105971 Energy: 0.3603276658959172 Energy: 0.580670777410296 Energy: 0.3603276658962183 Energy: 0.5806707774105971 Energy: 0.3842851358984711 Energy: 0.34469410469289175 Energy: 0.38428513589877217 Energy: 0.3446941046922895 Energy: 0.38428513589817 Energy: 0.3446941046922895 Energy: 0.3403182741708475 Energy: 0.5587472272581341 Energy: 0.34031827417114857 Energy: 0.5587472272581341 Energy: 0.3403182741708475 Energy: 0.558747227257833 Energy: 0.464371713329345 Energy: 0.35186965432335576 Energy: 0.46437171332783944 Energy: 0.35186965432335576 Energy: 0.4643717133287427 Energy: 0.35186965432335576 Energy: 0.3901684067662152 Energy: 0.4139773356714175 Energy: 0.39016840676681747 Energy: 0.4139773356705141 Energy: 0.3901684067665164 Energy: 0.4139773356705141 Energy: 0.3901932434896797 Energy: 0.41411720183520523 Energy: 0.39019324349269086 Energy: 0.4141172018379154 Energy: 0.39019324349509993 Energy: 0.414117201839421 Energy: 0.4643140859702977 Energy: 0.3518275101594354 Energy: 0.4643140859702977 Energy: 0.3518275101585321 Energy: 0.4643140859702977 Energy: 0.3518275101591343 Energy: 0.34035073989332687 Energy: 0.5586681053743539 Energy: 0.3403507398936281 Energy: 0.558668105374655 Energy: 0.3403507398936281 Energy: 0.5586681053740529 Energy: 0.3841245686366947 Energy: 0.34473414882512654 Energy: 0.3841245686372969 Energy: 0.34473414882512654 Energy: 0.3841245686372969 Energy: 0.34473414882512654 Energy: 0.36033975240760835 Energy: 0.5806320164245689 Energy: 0.36033975240790955 Energy: 0.5806320164236655 Energy: 0.36033975240700616 Energy: 0.5806320164203531 Energy: 0.3931005554790347 Energy: 0.5501373873081707 Energy: 0.39310055547873357 Energy: 0.5501373873084717 Energy: 0.3931005554793358 Energy: 0.5501373873084717 Energy: 0.37639845814099293 Energy: 0.34271500883722594 Energy: 0.3763984581415952 Energy: 0.34271500883692485 Energy: 0.37639845814129413 Energy: 0.34271500883722594 Energy: 0.4253931040076909 Energy: 0.37402089213132983 Energy: 0.42539310400799196 Energy: 0.374020892131631 Energy: 0.42539310400799196 Energy: 0.37402089213132983 Energy: 0.35429703476416796 Energy: 0.5504181901882542 Energy: 0.35429703476477026 Energy: 0.5504181901882542 Energy: 0.35429703476567365 Energy: 0.5504181901885553 Energy: 0.34447395134469944 Energy: 0.3407878373219484 Energy: 0.34447395108885204 Energy: 0.3407878373213461 Energy: 0.3444739503104968 Energy: 0.3407878373213461 Energy: 0.3402723715455084 Energy: 0.48198861030235907 Energy: 0.34027237154520723 Energy: 0.4819886103014557 Energy: 0.34027237154490614 Energy: 0.48198861029874557 Energy: 0.5479075619662443 Energy: 0.4652611100879329 Energy: 0.5479075619671477 Energy: 0.465261110088234 Energy: 0.5479075619665454 Energy: 0.465261110088234 Energy: 0.3410891979427654 Energy: 0.415220281864164 Energy: 0.3410891979433676 Energy: 0.4152202818734989 Energy: 0.3410891979433676 Energy: 0.41522028185003845 minimum gb energy = 0.33386777171824145 eV minimum distance = 2.65525144405635 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.3635307457265881 Energy: 0.34786404301132534 Energy: 0.36353074572679395 Energy: 0.3478640430115311 Energy: 0.3635307457265881 Energy: 0.34786404301132534 Energy: 0.3472237859503209 Energy: 0.3416376516322493 Energy: 0.3472237859503209 Energy: 0.3416376516322493 Energy: 0.3472237859505267 Energy: 0.3416376516322493 Energy: 0.47854328172834043 Energy: 0.4889943346700808 Energy: 0.5976341025254763 Energy: 0.4889943346700808 Energy: 0.5976341025260937 Energy: 0.4889943346700808 Energy: 0.3470979709254197 Energy: 0.34163571161452944 Energy: 0.3470979709254197 Energy: 0.34163571161452944 Energy: 0.34709797092562555 Energy: 0.34163571161452944 Energy: 0.3635307457251702 Energy: 0.34786404301274326 Energy: 0.3635307457251702 Energy: 0.34786404301274326 Energy: 0.3635307457251702 Energy: 0.3478640430125374 Energy: 0.3472237859511213 Energy: 0.34163765163304977 Energy: 0.3472237859511213 Energy: 0.34163765163304977 Energy: 0.3472237859513271 Energy: 0.34163765163304977 Energy: 0.47854328172875216 Energy: 0.4889943346712929 Energy: 0.5976341025260937 Energy: 0.4889943346710871 Energy: 0.5976341025266882 Energy: 0.4889943346712929 minimum gb energy = 0.34163571161452944 eV minimum distance = 2.65858026109024 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 0.5676740929264834 Energy: 0.4148062802923438 Energy: 0.5676740929262345 Energy: 0.4148062802920948 Energy: 0.5676740929270312 Energy: 0.41480628029179606 Energy: 0.43448141439994414 Energy: 0.40621244096055215 Energy: 0.43448141439994414 Energy: 0.4062124409602534 Energy: 0.43448141440103966 Energy: 0.4062124409597057 Energy: 0.45468807625349456 Energy: 0.5198106557427117 Energy: 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0.481901907273233 Energy: 0.49001068518338065 Energy: 0.4818619210198576 Energy: 0.49001068518457624 minimum gb energy = 0.3771162748244206 eV minimum distance = 2.63086302947067 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.4192068896569615 Energy: 0.3647226410300241 Energy: 0.4192068896561161 Energy: 0.3647226410300241 Energy: 0.4192068896569615 Energy: 0.3647226410300241 Energy: 0.3709485610867156 Energy: 0.42655160962749183 Energy: 0.370948561087561 Energy: 0.42655160962749183 Energy: 0.3709485610867156 Energy: 0.42655160962749183 Energy: 0.4131082734224137 Energy: 0.4043416667053971 Energy: 0.4131082734224137 Energy: 0.4043416667053971 Energy: 0.4131082734224137 Energy: 0.40434166670455174 Energy: 0.380858241124263 Energy: 0.4985149895222491 Energy: 0.3808582411234175 Energy: 0.4985149895222491 Energy: 0.3808582411234175 Energy: 0.4985149895222491 Energy: 0.42487293874332377 Energy: 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0.3310162049544924 Energy: 0.34097120003493375 Energy: 0.362985700604841 Energy: 0.3596293704688259 Energy: 0.36298570060377777 Energy: 0.35962937046935745 Energy: 0.36298570060430935 Energy: 0.3596293704635102 minimum gb energy = 0.32291855138362363 eV minimum distance = 2.64415815807091 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.4295308747870933 Energy: 0.31125279891622876 Energy: 0.42953087478980445 Energy: 0.31125279891622876 Energy: 0.42953087478670604 Energy: 0.31125279891584146 Energy: 0.35061025093469894 Energy: 0.33925607560832255 Energy: 0.3506102509350862 Energy: 0.3392560756087099 Energy: 0.3506102509358608 Energy: 0.33925607560832255 Energy: 0.3511388554394388 Energy: 0.350503572079813 Energy: 0.3511388554394388 Energy: 0.3505035720802002 Energy: 0.3511388554394388 Energy: 0.3505035720802002 Energy: 0.40930504085174485 Energy: 0.33265144319992673 Energy: 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Energy: 0.3848911692063683 Energy: 0.337574295349069 Energy: 0.38489116920791755 Energy: 0.3134847289179803 Energy: 0.3232256581386265 Energy: 0.3038214447869388 Energy: 0.3232256581386265 Energy: 0.3134847289183676 Energy: 0.3232256581386265 Energy: 0.30231863518196833 Energy: 0.2968338519144868 Energy: 0.3023186351831303 Energy: 0.2968338519230076 Energy: 0.30231863518196833 Energy: 0.2968338519276554 minimum gb energy = 0.29357994273472254 eV minimum distance = 2.64121839186627 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.06962646407805975 Energy: 0.09089363590460678 Energy: 0.06962646407805975 Energy: 0.09089363590460678 Energy: 0.0696264640779142 Energy: 0.09089363590447741 Energy: 0.34516214689368363 Energy: 0.07102925843361828 Energy: 0.3451621468939585 Energy: 0.07102925843420045 Energy: 0.34516214689368363 Energy: 0.07102925843432982 Energy: 0.34518301441745136 Energy: 0.07002099137420663 Energy: 0.3451830144171602 Energy: 0.07002099137334956 Energy: 0.3451830144170147 Energy: 0.07002099137406108 Energy: 0.0696264640782053 Energy: 0.09089363590447741 Energy: 0.0696264640779142 Energy: 0.09089363590460678 Energy: 0.0696264640779142 Energy: 0.09089363590460678 Energy: 0.34516214689368363 Energy: 0.07102925843405491 Energy: 0.34516214689368363 Energy: 0.07102925843447536 Energy: 0.34516214689381297 Energy: 0.07102925843420045 Energy: 0.3451830144170147 Energy: 0.07002099137435217 Energy: 0.3451830144178718 Energy: 0.07002099137464325 Energy: 0.3451830144171602 Energy: 0.07002099137406108 Energy: 0.06962646407805975 Energy: 0.09089363590447741 Energy: 0.0696264640782053 Energy: 0.09089363590460678 Energy: 0.06962646407805975 Energy: 0.09089363590447741 Energy: 0.34516214689381297 Energy: 0.07102925843405491 Energy: 0.34516214689368363 Energy: 0.07102925843405491 Energy: 0.34516214689368363 Energy: 0.07102925843390936 Energy: 0.3451830144171602 Energy: 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Energy: 0.29771225715513044 Energy: 0.3228024594623329 Energy: 0.29771225715513044 Energy: 0.3228024594623329 Energy: 0.29771225715513044 Energy: 0.3228024594623329 Energy: 0.3446089947676875 Energy: 0.2746036481893369 Energy: 0.34460899476726164 Energy: 0.2746036481889111 Energy: 0.3446089947676875 Energy: 0.27460364819061456 Energy: 0.319632104038965 Energy: 0.3007388051886953 Energy: 0.3196321040393909 Energy: 0.3007388051857143 Energy: 0.319632104038965 Energy: 0.30073880518784357 Energy: 0.3186713254910262 Energy: 0.35461820505167707 Energy: 0.3186713254910262 Energy: 0.35461820505167707 Energy: 0.3186713254906004 Energy: 0.35461820505167707 Energy: 0.3165299718356864 Energy: 0.29342922554334433 Energy: 0.3165299718356864 Energy: 0.29342922554717704 Energy: 0.31652997183611226 Energy: 0.29342922550588835 Energy: 0.33190907028923045 Energy: 0.276780876772529 Energy: 0.33190907028923045 Energy: 0.2767808767750841 Energy: 0.33190907028880456 Energy: 0.2767808767721031 Energy: 0.28862634706466134 Energy: 0.3272478639890276 Energy: 0.288626347065939 Energy: 0.3272478639890276 Energy: 0.288626347065939 Energy: 0.3272478639886017 Energy: 0.3192159440814658 Energy: 0.3115273683902058 Energy: 0.3192159440814658 Energy: 0.3115273683885023 Energy: 0.3192159440810399 Energy: 0.311527368392335 Energy: 0.3186828664391819 Energy: 0.26729302070710637 Energy: 0.3186828664379044 Energy: 0.26729302070710637 Energy: 0.3186828664383302 Energy: 0.26729302070582883 Energy: 0.32021210919336784 Energy: 0.3522126598947335 Energy: 0.320212109192942 Energy: 0.3522126598943076 Energy: 0.3202121091916645 Energy: 0.3522126598943076 Energy: 0.29758477835968516 Energy: 0.30030548425853876 Energy: 0.2975847783592593 Energy: 0.30030548425768705 Energy: 0.2975847783592593 Energy: 0.30030548425555775 Energy: 0.3682018029357786 Energy: 0.3357634459708751 Energy: 0.3682018029357786 Energy: 0.3357634459713009 Energy: 0.3682018029357786 Energy: 0.3357634459708751 Energy: 0.29163540959180967 Energy: 0.3465808823288108 Energy: 0.29163540959180967 Energy: 0.3465808823288108 Energy: 0.29163540959180967 Energy: 0.3465808823288108 Energy: 0.28245267383896994 Energy: 0.3009033660653532 Energy: 0.2824526738385441 Energy: 0.3009033660653532 Energy: 0.28245267383896994 Energy: 0.3009033660657791 Energy: 0.3686639678727237 Energy: 0.3434390946866583 Energy: 0.3686639678727237 Energy: 0.3434390946866583 Energy: 0.3686639678727237 Energy: 0.3434390946866583 Energy: 0.31272954242479367 Energy: 0.33813898514600693 Energy: 0.3127295424264971 Energy: 0.33813898514600693 Energy: 0.3127295424226644 Energy: 0.33813898514600693 Energy: 0.3192962852600361 Energy: 0.29060422484735543 Energy: 0.3192962852600361 Energy: 0.29060422484735543 Energy: 0.3192962852600361 Energy: 0.2906042248469296 Energy: 0.2631129895366785 Energy: 0.3316953826149777 Energy: 0.2631129895383819 Energy: 0.3316953826149777 Energy: 0.26311298953582674 Energy: 0.3316953826149777 minimum gb energy = 0.26311298953582674 eV minimum distance = 2.68679212678488 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.4319270669372054 Energy: 0.3586330125109303 Energy: 0.4319270669365986 Energy: 0.3586330125109303 Energy: 0.4319270669365986 Energy: 0.3586330125109303 Energy: 0.3750461778521603 Energy: 0.37533820250773003 Energy: 0.3750461778521603 Energy: 0.37533820250773003 Energy: 0.3750461778521603 Energy: 0.37533820250773003 Energy: 0.4109178893245101 Energy: 0.37750417250005897 Energy: 0.41091788932875767 Energy: 0.37750417250005897 Energy: 0.3717384476776716 Energy: 0.37750417250005897 Energy: 0.37537495134165755 Energy: 0.35168639181327627 Energy: 0.3753749513428712 Energy: 0.35168639181388306 Energy: 0.3753749513422644 Energy: 0.35168639181327627 Energy: 0.3749061584318142 Energy: 0.3485311955552567 Energy: 0.37490615843120745 Energy: 0.3485311955552567 Energy: 0.3749061584318142 Energy: 0.3485311955552567 Energy: 0.402046184947555 Energy: 0.39267222491934417 Energy: 0.4020461849469482 Energy: 0.39267222491934417 Energy: 0.402046184947555 Energy: 0.39267222491934417 Energy: 0.3366055844001434 Energy: 0.39472437866945664 Energy: 0.3366055844001434 Energy: 0.39472437866945664 Energy: 0.33660558440075017 Energy: 0.39472437866945664 Energy: 0.40261626204508133 Energy: 0.383210542900425 Energy: 0.40261626204447454 Energy: 0.38321054289981826 Energy: 0.40261626204447454 Energy: 0.38321054289981826 Energy: 0.39509153691498594 Energy: 0.3782892945636075 Energy: 0.39509153691437915 Energy: 0.378289294564821 Energy: 0.39509153691437915 Energy: 0.37828929456178706 Energy: 0.3361946587189586 Energy: 0.3765427720338643 Energy: 0.3361946587189586 Energy: 0.3765427720338643 Energy: 0.3361946587189586 Energy: 0.3765427720338643 Energy: 0.35693896590148894 Energy: 0.4189802365982964 Energy: 0.35693896590209573 Energy: 0.4189802365982964 Energy: 0.35693896590209573 Energy: 0.4189802365989032 Energy: 0.36792095624359383 Energy: 0.35505396819331714 Energy: 0.367920956242987 Energy: 0.355053968193924 Energy: 0.367920956242987 Energy: 0.35505396819271035 Energy: 0.37083621678456913 Energy: 0.40522146908810497 Energy: 0.370836216785176 Energy: 0.40522146908810497 Energy: 0.37083621678456913 Energy: 0.4052214690874981 Energy: 0.36209727799369446 Energy: 0.45316467392195303 Energy: 0.36209727799369446 Energy: 0.45316467392195303 Energy: 0.36209727799369446 Energy: 0.45316467392134624 Energy: 0.3716518371882805 Energy: 0.3192693171471945 Energy: 0.3716518371882805 Energy: 0.31926931714537404 Energy: 0.3716518371888872 Energy: 0.3192693171465877 Energy: 0.3694904658516346 Energy: 0.36132180649134854 Energy: 0.3694904658516346 Energy: 0.36132180649074175 Energy: 0.3694904658516346 Energy: 0.36132180649134854 Energy: 0.36010962161566246 Energy: 0.37750580973833325 Energy: 0.3601096216150557 Energy: 0.37750580973833325 Energy: 0.3601096216150557 Energy: 0.37750580973833325 Energy: 0.33344346492642896 Energy: 0.36216377139925804 Energy: 0.3334434649300697 Energy: 0.36216377139925804 Energy: 0.3334434649246085 Energy: 0.36216377139925804 Energy: 0.3876903321084513 Energy: 0.41548372342647316 Energy: 0.3876903321084513 Energy: 0.41548372342647316 Energy: 0.3876903321078445 Energy: 0.4154837234258664 Energy: 0.3933062471913499 Energy: 0.3448251930927121 Energy: 0.3933062471919566 Energy: 0.3448251930927121 Energy: 0.3933062471919566 Energy: 0.3448251930933188 Energy: 0.3967290078121338 Energy: 0.31910381842331753 Energy: 0.3967290078121338 Energy: 0.3191038184227107 Energy: 0.3967290078121338 Energy: 0.3191038184227107 Energy: 0.4354842207725303 Energy: 0.4178625290556116 Energy: 0.4354842207731371 Energy: 0.4178625290556116 Energy: 0.4354842207725303 Energy: 0.4178625290550048 Energy: 0.33403232371165026 Energy: 0.3443850329635524 Energy: 0.3340323237110435 Energy: 0.3443850329641591 Energy: 0.33403232371165026 Energy: 0.3443850329641591 minimum gb energy = 0.3191038184227107 eV minimum distance = 2.69003728345618 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.468294017745164 Energy: 0.3636038741988324 Energy: 0.4682940177443941 Energy: 0.36360387419921736 Energy: 0.468294017744779 Energy: 0.3636038741988324 Energy: 0.40190842390415354 Energy: 0.4061993366788487 Energy: 0.4019084239037686 Energy: 0.4061993366796186 Energy: 0.40190842390415354 Energy: 0.4061993366796186 Energy: 0.44024256291356284 Energy: 0.40674606629385357 Energy: 0.44024256291356284 Energy: 0.40674606629385357 Energy: 0.44024256291317787 Energy: 0.4067460662942385 Energy: 0.46136454249996 Energy: 0.3711797105490143 Energy: 0.4613645424995751 Energy: 0.3711797105490143 Energy: 0.4613645424995751 Energy: 0.3711797105493992 Energy: 0.4227661881603064 Energy: 0.4308570874393014 Energy: 0.4227661881599215 Energy: 0.4308570874393014 Energy: 0.4227661881599215 Energy: 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0.4730968840313612 Energy: 0.4010213927365869 Energy: 0.40825022729388516 Energy: 0.40102139273620196 Energy: 0.40825022729388516 Energy: 0.40102139273620196 Energy: 0.4082502272935002 Energy: 0.42265880238105047 Energy: 0.36574340937835925 Energy: 0.4226588023806655 Energy: 0.36574340937835925 Energy: 0.4226588023806655 Energy: 0.36574340937835925 Energy: 0.3926203843864013 Energy: 0.40492165859470325 Energy: 0.3926203843852465 Energy: 0.40492165859470325 Energy: 0.3926203843864013 Energy: 0.4049216585950882 Energy: 0.3607856026321268 Energy: 0.40511677779278754 Energy: 0.3607856026321268 Energy: 0.40511677779278754 Energy: 0.360785602630587 Energy: 0.40511677779278754 Energy: 0.4611845236997236 Energy: 0.43777023416791877 Energy: 0.4611845236993387 Energy: 0.4377702341683037 Energy: 0.4611845236997236 Energy: 0.4377702341683037 Energy: 0.41919117838910447 Energy: 0.3774213954829259 Energy: 0.41919117838910447 Energy: 0.37742139548138615 Energy: 0.41919117838948944 Energy: 0.3774213954802313 Energy: 0.45460123578911216 Energy: 0.4439192027188708 Energy: 0.4546012357887272 Energy: 0.4439192027196407 Energy: 0.4546012357875724 Energy: 0.4439192027192557 Energy: 0.40016576058535447 Energy: 0.45383200267303964 Energy: 0.40016576058612435 Energy: 0.45383200267303964 Energy: 0.40016576058535447 Energy: 0.45383200267303964 Energy: 0.44686251540363575 Energy: 0.3782778952683076 Energy: 0.44686251540402067 Energy: 0.37827789526792266 Energy: 0.44686251540402067 Energy: 0.3782778952683076 Energy: 0.45009388048116933 Energy: 0.4391793277985103 Energy: 0.45009388048116933 Energy: 0.4391793277985103 Energy: 0.4500938804807844 Energy: 0.43917932779889524 Energy: 0.4169229043022167 Energy: 0.42367867112658536 Energy: 0.4169229043022167 Energy: 0.42367867112658536 Energy: 0.41692290430298656 Energy: 0.42367867112658536 Energy: 0.38911715205545505 Energy: 0.4731680885973913 Energy: 0.38911715205545505 Energy: 0.4731680885970064 Energy: 0.38911715205584 Energy: 0.4731680885970064 Energy: 0.4268483052749609 Energy: 0.3920940579520357 Energy: 0.42684830527534584 Energy: 0.3920940579520357 Energy: 0.4268483052749609 Energy: 0.3920940579520357 Energy: 0.401291958691352 Energy: 0.40893739512296523 Energy: 0.40129195869096707 Energy: 0.40893739512296523 Energy: 0.4012919586917369 Energy: 0.4089373951225803 Energy: 0.39167164483205835 Energy: 0.4599339632755497 Energy: 0.39167164483244327 Energy: 0.4599339632751647 Energy: 0.39167164483244327 Energy: 0.4599339632751647 Energy: 0.4014146538869951 Energy: 0.42211676470567855 Energy: 0.401414653887765 Energy: 0.42211676470567855 Energy: 0.40141465388738 Energy: 0.42211676470529363 Energy: 0.4493862780730975 Energy: 0.4649406841249492 Energy: 0.4493862780723276 Energy: 0.46494068412417927 Energy: 0.4493862780723276 Energy: 0.4649406841234094 Energy: 0.44914660227257763 Energy: 0.4308977849909151 Energy: 0.44914660227296255 Energy: 0.4308977849913 Energy: 0.4491466022733475 Energy: 0.4308977849909151 Energy: 0.4025817710205823 Energy: 0.44191153189467824 Energy: 0.4025817710205823 Energy: 0.4419115318954481 Energy: 0.4025817710213522 Energy: 0.4419115318954481 Energy: 0.4756672701858366 Energy: 0.442847711291365 Energy: 0.4756672701858366 Energy: 0.442847711291365 Energy: 0.47566727018622157 Energy: 0.44284771129059514 Energy: 0.4216880018494476 Energy: 0.37831156598102156 Energy: 0.4216880018494476 Energy: 0.37831156598179144 Energy: 0.4216880018494476 Energy: 0.37831156598025173 Energy: 0.4600391504159937 Energy: 0.4520548848947845 Energy: 0.4600391504159937 Energy: 0.45205488489439954 Energy: 0.4600391504159937 Energy: 0.45205488489516943 Energy: 0.41382258680732537 Energy: 0.4062993480311292 Energy: 0.41382258680771034 Energy: 0.4062993480311292 Energy: 0.41382258680732537 Energy: 0.4062993480315142 Energy: 0.3921903652147323 Energy: 0.40685382102795964 Energy: 0.39219036521588707 Energy: 0.40685382102795964 Energy: 0.39219036521550216 Energy: 0.40685382102834455 Energy: 0.48471393982603844 Energy: 0.3646201589784724 Energy: 0.48471393982642336 Energy: 0.3646201589784724 Energy: 0.48471393982603844 Energy: 0.3646201589784724 Energy: 0.4002765545233523 Energy: 0.40361850168315994 Energy: 0.40027655452258243 Energy: 0.40361850168315994 Energy: 0.40027655452258243 Energy: 0.40361850168315994 minimum gb energy = 0.360785602630587 eV minimum distance = 2.6692406921055 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5131508490073914 Energy: 0.4227791879316445 Energy: 0.5131508490073914 Energy: 0.4227791879316445 Energy: 0.5131508490073914 Energy: 0.4227791879316445 Energy: 0.44006665433746894 Energy: 0.4662503137388991 Energy: 0.4400666543385199 Energy: 0.4662503137388991 Energy: 0.44006665433746894 Energy: 0.4662503137388991 Energy: 0.5257784495140508 Energy: 0.4681046559182152 Energy: 0.5358691163449844 Energy: 0.4681046559182152 Energy: 0.5358691163449844 Energy: 0.4681046559182152 Energy: 0.47728513439546644 Energy: 0.5347251880878946 Energy: 0.4772851343944154 Energy: 0.5347251880878946 Energy: 0.47728513439546644 Energy: 0.5347251880878946 Energy: 0.4896720046906858 Energy: 0.4696382121925783 Energy: 0.4896720046906858 Energy: 0.4696382121925783 Energy: 0.4896720046906858 Energy: 0.4696382121925783 Energy: 0.5199909590182106 Energy: 0.4872808945408852 Energy: 0.5199909590192615 Energy: 0.4872808945387832 Energy: 0.5199909590182106 Energy: 0.4872808945398342 Energy: 0.45047832714527014 Energy: 0.48853600101550926 Energy: 0.45047832714527014 Energy: 0.48853600101550926 Energy: 0.45047832714527014 Energy: 0.4885360010165603 Energy: 0.4691385334706252 Energy: 0.5113190394761605 Energy: 0.4691385334706252 Energy: 0.5113190394761605 Energy: 0.4691385334706252 Energy: 0.5113190394761605 Energy: 0.4554397172152106 Energy: 0.44837754076243147 Energy: 0.4554397172152106 Energy: 0.4483775407613804 Energy: 0.4554397172152106 Energy: 0.44837754076243147 Energy: 0.5133278287026646 Energy: 0.42464163720674525 Energy: 0.5133278287026646 Energy: 0.42464163720674525 Energy: 0.5133278287026646 Energy: 0.4246416372056943 Energy: 0.4417555127131729 Energy: 0.4680437278097506 Energy: 0.4417555127142239 Energy: 0.4680437278097506 Energy: 0.4417555127131729 Energy: 0.4680437278097506 Energy: 0.47975268964325934 Energy: 0.4661300448413417 Energy: 0.47975268964325934 Energy: 0.4661300448413417 Energy: 0.4797526896422084 Energy: 0.4661300448413417 Energy: 0.5306190413110472 Energy: 0.5379258818083602 Energy: 0.5306190413099962 Energy: 0.5379258818094113 Energy: 0.5306190413099962 Energy: 0.5379258818094113 Energy: 0.5368213674748535 Energy: 0.47029128580233465 Energy: 0.5368213674748535 Energy: 0.47029128580233465 Energy: 0.5368213674748535 Energy: 0.47029128580233465 minimum gb energy = 0.4227791879316445 eV minimum distance = 2.65347978182804 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.5684051984246048 Energy: 0.509887741662496 Energy: 0.568405198424143 Energy: 0.509887741662496 Energy: 0.5684051984255282 Energy: 0.509887741662496 Energy: 0.46740536477817074 Energy: 0.5309905257285792 Energy: 0.46740536477817074 Energy: 0.5309905257285792 Energy: 0.46740536477817074 Energy: 0.5309905257285792 Energy: 0.510193574661567 Energy: 0.5339282600638181 Energy: 0.5101935746611053 Energy: 0.5339282600638181 Energy: 0.5101935746620286 Energy: 0.5339282600638181 Energy: 0.5282687915801426 Energy: 0.4798017477087977 Energy: 0.5282687915801426 Energy: 0.4798017477087977 Energy: 0.5282687915806044 Energy: 0.4798017477087977 Energy: 0.5293077912668066 Energy: 0.5305383223180578 Energy: 0.5293077912672683 Energy: 0.5305383223180578 Energy: 0.5293077912681917 Energy: 0.5305383223175962 Energy: 0.49470699196403717 Energy: 0.5285857786870469 Energy: 0.49470699196403717 Energy: 0.5285857786870469 Energy: 0.49470699196403717 Energy: 0.5285857786865851 Energy: 0.5398217415986628 Energy: 0.49527496681898797 Energy: 0.5398217415986628 Energy: 0.49527496681898797 Energy: 0.5398217415986628 Energy: 0.49527496681898797 Energy: 0.5144613731628801 Energy: 0.5095334755104014 Energy: 0.5144613731624182 Energy: 0.5095334755104014 Energy: 0.5144613731619565 Energy: 0.5095334755104014 Energy: 0.5062448571560068 Energy: 0.5106850697076526 Energy: 0.5062448571564685 Energy: 0.5106850697076526 Energy: 0.5062448571560068 Energy: 0.5106850697076526 Energy: 0.5271558913614393 Energy: 0.5114217348477876 Energy: 0.5271558913619009 Energy: 0.5114217348477876 Energy: 0.5271558913614393 Energy: 0.5114217348473259 Energy: 0.49862073398254114 Energy: 0.537697307431567 Energy: 0.49862073398207946 Energy: 0.537697307431567 Energy: 0.49862073398254114 Energy: 0.537697307431567 Energy: 0.5211990707134444 Energy: 0.542998258610838 Energy: 0.5211990707134444 Energy: 0.542998258610838 Energy: 0.5211990707129827 Energy: 0.542998258610838 Energy: 0.5326724821498595 Energy: 0.5099964169885709 Energy: 0.5326724821498595 Energy: 0.5099964169881093 Energy: 0.5326724821498595 Energy: 0.5099964169885709 Energy: 0.4820402926013079 Energy: 0.5447178672859219 Energy: 0.4820402926013079 Energy: 0.5447178672859219 Energy: 0.48204029260084624 Energy: 0.5447178672863835 Energy: 0.49231199158758954 Energy: 0.49518455492225777 Energy: 0.49231199158758954 Energy: 0.4951845549217961 Energy: 0.49231199158758954 Energy: 0.4951845549217961 Energy: 0.5430104776717848 Energy: 0.4950622066997784 Energy: 0.5430104776722465 Energy: 0.49506220670024015 Energy: 0.5430104776727083 Energy: 0.49506220669931666 Energy: 0.4830003330922613 Energy: 0.5257554304280352 Energy: 0.48300033309272306 Energy: 0.5257554304289587 Energy: 0.48300033309272306 Energy: 0.5257554304284969 Energy: 0.5608645364842237 Energy: 0.5570431841044774 Energy: 0.5608645364842237 Energy: 0.5570431841040157 Energy: 0.5608645364842237 Energy: 0.5570431841044774 Energy: 0.4984641666125891 Energy: 0.4857340297489645 Energy: 0.4984641666125891 Energy: 0.48573402974850277 Energy: 0.4984641666125891 Energy: 0.4857340297489645 Energy: 0.5078256383287008 Energy: 0.5432570473767749 Energy: 0.5078256383287008 Energy: 0.5432570473767749 Energy: 0.5078256383291625 Energy: 0.5432570473772366 Energy: 0.4751993155358588 Energy: 0.48984680549090376 Energy: 0.4751993155358588 Energy: 0.48984680549090376 Energy: 0.4751993155353972 Energy: 0.4898468054904421 Energy: 0.5569594115053355 Energy: 0.5101859161757418 Energy: 0.5569594115053355 Energy: 0.5101859161757418 Energy: 0.5569594115053355 Energy: 0.5101859161757418 Energy: 0.5090411482783629 Energy: 0.5315309358331016 Energy: 0.5090411482779013 Energy: 0.5315309358331016 Energy: 0.5090411482783629 Energy: 0.5315309358331016 Energy: 0.5408571465229765 Energy: 0.5293423897428097 Energy: 0.5408571465229765 Energy: 0.5293423897428097 Energy: 0.5408571465229765 Energy: 0.5293423897428097 Energy: 0.5208080815404793 Energy: 0.5031785464461809 Energy: 0.5208080815400177 Energy: 0.5031785464461809 Energy: 0.5208080815404793 Energy: 0.5031785464461809 Energy: 0.48729756737891866 Energy: 0.541715810958639 Energy: 0.48729756737799534 Energy: 0.541715810958639 Energy: 0.48729756737891866 Energy: 0.5417158109591007 Energy: 0.5081915268868316 Energy: 0.5130476719883998 Energy: 0.5081915268868316 Energy: 0.513047671989785 Energy: 0.5081915268872931 Energy: 0.5130476719893232 Energy: 0.5376287241578658 Energy: 0.5141869470232638 Energy: 0.5376287241578658 Energy: 0.5141869470232638 Energy: 0.537628724157404 Energy: 0.5141869470232638 Energy: 0.48461467309572515 Energy: 0.5455356085600543 Energy: 0.4846146730961869 Energy: 0.5455356085605161 Energy: 0.4846146730966486 Energy: 0.5455356085609778 Energy: 0.48518297970779006 Energy: 0.4733743170835789 Energy: 0.48518297970779006 Energy: 0.47337431708311717 Energy: 0.48518297970732843 Energy: 0.4733743170835789 Energy: 0.5245850254307584 Energy: 0.5377563093630072 Energy: 0.5245850254307584 Energy: 0.537756309363469 Energy: 0.5245850254307584 Energy: 0.5377563093625455 minimum gb energy = 0.46740536477817074 eV minimum distance = 2.59315914245665 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.49249019015226536 Energy: 0.4445249745824287 Energy: 0.49249019015226536 Energy: 0.4445249745824287 Energy: 0.49249019015226536 Energy: 0.4445249745824287 Energy: 0.5218994827858257 Energy: 0.5746148119362965 Energy: 0.5218994827866472 Energy: 0.5746148119362965 Energy: 0.5218994827866472 Energy: 0.5746148119362965 Energy: 0.5270341865607505 Energy: 0.5224887680360236 Energy: 0.5270341865607505 Energy: 0.5224887680360236 Energy: 0.5270341865607505 Energy: 0.5224887680360236 Energy: 0.4997433179756368 Energy: 0.5019549677768179 Energy: 0.4997433179756368 Energy: 0.4900113861623878 Energy: 0.4997433179764584 Energy: 0.4900113861623878 Energy: 0.5268941229785602 Energy: 0.5225693838573575 Energy: 0.5268941229777386 Energy: 0.5225693838581791 Energy: 0.5268941229777386 Energy: 0.5225693838573575 Energy: 0.5218241922721495 Energy: 0.47404076389489674 Energy: 0.5218241922713278 Energy: 0.47404076389489674 Energy: 0.5218241922713278 Energy: 0.47404076389489674 Energy: 0.4924901901530869 Energy: 0.4445249745824287 Energy: 0.4924901901530869 Energy: 0.4445249745824287 Energy: 0.4924901901530869 Energy: 0.44452497458325024 Energy: 0.5218994827874689 Energy: 0.5746148119362965 Energy: 0.5218994827874689 Energy: 0.5746148119362965 Energy: 0.5218994827874689 Energy: 0.5746148119362965 Energy: 0.5270341865623936 Energy: 0.5224887680376669 Energy: 0.5270341865615721 Energy: 0.5224887680376669 Energy: 0.5270341865623936 Energy: 0.5224887680376669 Energy: 0.4997433179756368 Energy: 0.4633388795245619 Energy: 0.4997433179756368 Energy: 0.4633388795245619 Energy: 0.4997433179756368 Energy: 0.4633388795245619 Energy: 0.5268941229802033 Energy: 0.5225693838573575 Energy: 0.5268941229802033 Energy: 0.5225693838573575 Energy: 0.5268941229802033 Energy: 0.5225693838581791 Energy: 0.5218241922713278 Energy: 0.47404076389489674 Energy: 0.5218241922705062 Energy: 0.47404076389489674 Energy: 0.5218241922705062 Energy: 0.47404076389489674 Energy: 0.49249019015226536 Energy: 0.4445249745824287 Energy: 0.49249019015226536 Energy: 0.4445249745824287 Energy: 0.49249019015226536 Energy: 0.4445249745824287 Energy: 0.5218994827858257 Energy: 0.5746148119362965 Energy: 0.5218994827858257 Energy: 0.5746148119362965 Energy: 0.5218994827858257 Energy: 0.5746148119362965 Energy: 0.5270341865607505 Energy: 0.5224887680368453 Energy: 0.5270341865607505 Energy: 0.5224887680368453 Energy: 0.5270341865615721 Energy: 0.5224887680360236 Energy: 0.4997433179764584 Energy: 0.4633388795237402 Energy: 0.4997433179764584 Energy: 0.4633388795237402 Energy: 0.4997433179764584 Energy: 0.4633388795237402 Energy: 0.5268941229777386 Energy: 0.5225693838581791 Energy: 0.5268941229785602 Energy: 0.5225693838581791 Energy: 0.5268941229785602 Energy: 0.5225693838573575 minimum gb energy = 0.4445249745824287 eV minimum distance = 2.63542494674524 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5082752291512226 Energy: 0.5542504341876474 Energy: 0.5082752291518934 Energy: 0.5542504341876474 Energy: 0.5082752291512226 Energy: 0.5542504341876474 Energy: 0.5415858671179774 Energy: 0.5415070975120119 Energy: 0.5415858671173065 Energy: 0.5415070975120119 Energy: 0.5415858671179774 Energy: 0.5415070975120119 Energy: 0.5698393181268722 Energy: 0.5066920729745993 Energy: 0.5698393181262014 Energy: 0.5066920729745993 Energy: 0.5698393181262014 Energy: 0.5066920729745993 Energy: 0.49305988840360915 Energy: 0.5724544800421618 Energy: 0.49305988840293835 Energy: 0.572454480041491 Energy: 0.49305988840293835 Energy: 0.5724544800421618 Energy: 0.503526717429532 Energy: 0.5445897013956487 Energy: 0.5035267174302029 Energy: 0.5445897013956487 Energy: 0.503526717429532 Energy: 0.5445897013949779 Energy: 0.5657327476325413 Energy: 0.5121599437824644 Energy: 0.5657327476325413 Energy: 0.5121599437824644 Energy: 0.5657327476332121 Energy: 0.5121599437817935 Energy: 0.4934523045636398 Energy: 0.5143902585873751 Energy: 0.4934523045636398 Energy: 0.5143902585873751 Energy: 0.4934523045636398 Energy: 0.5143902585873751 Energy: 0.5557585246089478 Energy: 0.5152922702874528 Energy: 0.5557585246089478 Energy: 0.515292270286782 Energy: 0.5557585246096186 Energy: 0.515292270286782 Energy: 0.6099384847970086 Energy: 0.5146983524905496 Energy: 0.6099384847983502 Energy: 0.5146983524905496 Energy: 0.6099384847976794 Energy: 0.5146983524905496 Energy: 0.49315161817318376 Energy: 0.5233966635671097 Energy: 0.4931516181725129 Energy: 0.5233966635671097 Energy: 0.4931516181725129 Energy: 0.5233966635671097 Energy: 0.5120024385072478 Energy: 0.5229509765306704 Energy: 0.5120024385079186 Energy: 0.5229509765306704 Energy: 0.5120024385072478 Energy: 0.5229509765313411 Energy: 0.5399809810082967 Energy: 0.5006141903711218 Energy: 0.5399809810082967 Energy: 0.5006141903711218 Energy: 0.5399809810089676 Energy: 0.5006141903711218 Energy: 0.4978154287637532 Energy: 0.5552878911134878 Energy: 0.49781542876442403 Energy: 0.5552878911134878 Energy: 0.4978154287637532 Energy: 0.5552878911134878 Energy: 0.5047029587108763 Energy: 0.5334446069381225 Energy: 0.5047029587108763 Energy: 0.5334446069381225 Energy: 0.5047029587108763 Energy: 0.5334446069374515 Energy: 0.5172294127842211 Energy: 0.5125775857916801 Energy: 0.5172294127828794 Energy: 0.5125775857916801 Energy: 0.517229412782239 Energy: 0.5125775857916801 Energy: 0.5104128069897317 Energy: 0.5443631097997959 Energy: 0.5104128069904025 Energy: 0.5443631097991251 Energy: 0.5104128069897317 Energy: 0.5443631097991251 Energy: 0.54669445969293 Energy: 0.5446746315963765 Energy: 0.5466944596936008 Energy: 0.5446746315963765 Energy: 0.54669445969293 Energy: 0.5446746315963765 Energy: 0.5718017660341933 Energy: 0.5189153034109658 Energy: 0.5718017660328516 Energy: 0.5189153034109658 Energy: 0.5718017660341933 Energy: 0.5189153034116366 Energy: 0.5022868768398829 Energy: 0.5330215336510793 Energy: 0.5022868768405537 Energy: 0.5330215336517501 Energy: 0.5022868768405537 Energy: 0.5330215336510793 Energy: 0.533054454414308 Energy: 0.5313049093147544 Energy: 0.533054454414308 Energy: 0.531304909316767 Energy: 0.533054454414308 Energy: 0.531304909318749 Energy: 0.5407064425994137 Energy: 0.500395287450326 Energy: 0.5407064425987428 Energy: 0.500395287450326 Energy: 0.5407064425987428 Energy: 0.500395287450326 minimum gb energy = 0.49305988840293835 eV minimum distance = 2.62351122714045 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.4833255800691984 Energy: 0.5073266446281764 Energy: 0.4833255800691984 Energy: 0.5073266446281764 Energy: 0.4833255800691984 Energy: 0.5073266446281764 Energy: 0.5151871409464172 Energy: 0.5165141478669997 Energy: 0.5151871409458516 Energy: 0.5165141478669997 Energy: 0.5151871409458516 Energy: 0.5165141478669997 Energy: 0.5283945044760958 Energy: 0.47975371491129265 Energy: 0.5283945044760958 Energy: 0.47975371491129265 Energy: 0.5283945044760958 Energy: 0.47975371491185814 Energy: 0.45203988607349405 Energy: 0.4857840419915109 Energy: 0.45203988607292855 Energy: 0.4857840419915109 Energy: 0.45203988607349405 Energy: 0.4857840419915109 Energy: 0.48943367942268384 Energy: 0.5117448911314357 Energy: 0.48943367942211835 Energy: 0.5117448911314357 Energy: 0.48943367942268384 Energy: 0.5117448911314357 Energy: 0.4918499578074856 Energy: 0.454773405139962 Energy: 0.4918499578080509 Energy: 0.454773405139962 Energy: 0.4918499578080509 Energy: 0.4547734051405275 Energy: 0.5162050118447326 Energy: 0.5182724184942993 Energy: 0.5162050118447326 Energy: 0.5182724184942993 Energy: 0.516205011845298 Energy: 0.5182724184942993 Energy: 0.4868135822017922 Energy: 0.5264100002937542 Energy: 0.4868135822012267 Energy: 0.5264100002937542 Energy: 0.4868135822017922 Energy: 0.5264100002937542 Energy: 0.5265990837567844 Energy: 0.4547603354045831 Energy: 0.5265990837567844 Energy: 0.4547603354045831 Energy: 0.5265990837567844 Energy: 0.4547603354045831 Energy: 0.45225151181215345 Energy: 0.5217022172522379 Energy: 0.45225151181215345 Energy: 0.5217022172522379 Energy: 0.45225151181271894 Energy: 0.5217022172516724 Energy: 0.4521185262505102 Energy: 0.5241238932993256 Energy: 0.4521185262510757 Energy: 0.5241238932993256 Energy: 0.4521185262505102 Energy: 0.5241238932987602 Energy: 0.5161898512179516 Energy: 0.4717489465863086 Energy: 0.5161898512185171 Energy: 0.4717489465863086 Energy: 0.5161898512185171 Energy: 0.4717489465863086 Energy: 0.5014523208772617 Energy: 0.4861725439481856 Energy: 0.5014523208772617 Energy: 0.4861725439481856 Energy: 0.5014523208772617 Energy: 0.4861725439481856 Energy: 0.45283884857695095 Energy: 0.5252163336752486 Energy: 0.4528388485758201 Energy: 0.5252163336746831 Energy: 0.45283884857638546 Energy: 0.5252163336746831 Energy: 0.4918866807709651 Energy: 0.45461574849687697 Energy: 0.4918866807709651 Energy: 0.45461574849687697 Energy: 0.4918866807709651 Energy: 0.45461574849744246 Energy: 0.5166469945937211 Energy: 0.4931455085491491 Energy: 0.5166469945937211 Energy: 0.49314550854801814 Energy: 0.5166469945937211 Energy: 0.49314550854801814 Energy: 0.47117285383762836 Energy: 0.5365103097670156 Energy: 0.47117285383762836 Energy: 0.5365103097670156 Energy: 0.47117285383762836 Energy: 0.5365103097670156 Energy: 0.48569890561079554 Energy: 0.4783975308910551 Energy: 0.4856989056096646 Energy: 0.4783975308910551 Energy: 0.48569890561192647 Energy: 0.4783975308910551 Energy: 0.48548169499469696 Energy: 0.4908469091598693 Energy: 0.48548169499582794 Energy: 0.4908469091598693 Energy: 0.48548169499469696 Energy: 0.4908469091598693 Energy: 0.48332558006693643 Energy: 0.5073266446281764 Energy: 0.48332558006693643 Energy: 0.5073266446281764 Energy: 0.48332558006693643 Energy: 0.507326644628742 Energy: 0.515187140947548 Energy: 0.5165141478686961 Energy: 0.515187140947548 Energy: 0.5165141478686961 Energy: 0.515187140947548 Energy: 0.5165141478686961 Energy: 0.5283945044772268 Energy: 0.47975371491072716 Energy: 0.5283945044772268 Energy: 0.47975371491072716 Energy: 0.5283945044772268 Energy: 0.47975371491072716 Energy: 0.4520398860712322 Energy: 0.4857840419915109 Energy: 0.4520398860712322 Energy: 0.4857840419915109 Energy: 0.4520398860712322 Energy: 0.4857840419920763 Energy: 0.48943367942155286 Energy: 0.5117448911291739 Energy: 0.48943367942155286 Energy: 0.5117448911291739 Energy: 0.48943367942155286 Energy: 0.5117448911291739 Energy: 0.4918499578074856 Energy: 0.45477340513939657 Energy: 0.4918499578074856 Energy: 0.45477340513939657 Energy: 0.4918499578080509 Energy: 0.45477340513939657 minimum gb energy = 0.4520398860712322 eV minimum distance = 2.65116277762003 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.46077709613904916 Energy: 0.5465320528162652 Energy: 0.460777096138561 Energy: 0.5465320528162652 Energy: 0.460777096138561 Energy: 0.5465320528162652 Energy: 0.5535028576927415 Energy: 0.5102207886731508 Energy: 0.5535028576927415 Energy: 0.5102207886731508 Energy: 0.5535028576927415 Energy: 0.5102207886731508 Energy: 0.556930385426215 Energy: 0.451668910697257 Energy: 0.5569303854267031 Energy: 0.4516689106977451 Energy: 0.556930385426215 Energy: 0.451668910697257 Energy: 0.4491786738294392 Energy: 0.5371863991135608 Energy: 0.4491786738294392 Energy: 0.5371863991135608 Energy: 0.44917867382992727 Energy: 0.5371863991135608 Energy: 0.4955543382832786 Energy: 0.5186725793452821 Energy: 0.4955543382832786 Energy: 0.5186725793452821 Energy: 0.4955543382823024 Energy: 0.5186725793457702 Energy: 0.5393290804314479 Energy: 0.44807754604133015 Energy: 0.5393290804314479 Energy: 0.44807754604133015 Energy: 0.5393290804314479 Energy: 0.44807754604133015 Energy: 0.45748454204952443 Energy: 0.5926460590607977 Energy: 0.45748454204952443 Energy: 0.5926460590612858 Energy: 0.45748454204952443 Energy: 0.5926460590607977 Energy: 0.4810476730381684 Energy: 0.5863741067839113 Energy: 0.48104767303865653 Energy: 0.5863741067839113 Energy: 0.48104767303865653 Energy: 0.5863741067839113 Energy: 0.5598726899220811 Energy: 0.44080306229438043 Energy: 0.5598726899220811 Energy: 0.44080306229438043 Energy: 0.5598726899215929 Energy: 0.44080306229486854 Energy: 0.5181369056493075 Energy: 0.513812975150222 Energy: 0.5181369056493075 Energy: 0.5138129751497338 Energy: 0.5181369056488194 Energy: 0.5138129751497338 Energy: 0.44331329779489 Energy: 0.5864171576910412 Energy: 0.44331329779489 Energy: 0.5864171576915294 Energy: 0.44331329779489 Energy: 0.5864171576915294 Energy: 0.5576461993632152 Energy: 0.4530993609015784 Energy: 0.5576461993627272 Energy: 0.4530993609015784 Energy: 0.5576461993637033 Energy: 0.4530993609015784 Energy: 0.5227476012549758 Energy: 0.5005426490575594 Energy: 0.5227476012574163 Energy: 0.5005426490575594 Energy: 0.52274760125644 Energy: 0.5005426490580475 Energy: 0.44712797520501407 Energy: 0.5420616960243939 Energy: 0.44712797520501407 Energy: 0.5420616960243939 Energy: 0.44712797520501407 Energy: 0.5420616960243939 Energy: 0.5091339972431361 Energy: 0.4456613785917195 Energy: 0.5091339972416719 Energy: 0.4456613785917195 Energy: 0.5091339972431361 Energy: 0.4456613785917195 Energy: 0.5840395457888443 Energy: 0.44103674680937904 Energy: 0.5840395457888443 Energy: 0.44103674680937904 Energy: 0.5840395457888443 Energy: 0.44103674680889093 Energy: 0.4547835629743304 Energy: 0.5321741423978956 Energy: 0.4547835629743304 Energy: 0.5321741423978956 Energy: 0.4547835629738423 Energy: 0.5321741423978956 Energy: 0.49731753469399154 Energy: 0.5368061614790738 Energy: 0.49731753469447953 Energy: 0.5368061614785857 Energy: 0.49731753469447953 Energy: 0.5368061614785857 Energy: 0.5393856707030097 Energy: 0.44757894277730276 Energy: 0.5393856707030097 Energy: 0.44757894277730276 Energy: 0.5393856707030097 Energy: 0.44757894277730276 Energy: 0.45420623779923647 Energy: 0.5174626678013455 Energy: 0.45420623779874836 Energy: 0.5174626678018337 Energy: 0.45420623779874836 Energy: 0.5174626678013455 Energy: 0.4480609477037571 Energy: 0.5869376749245832 Energy: 0.4480609477042452 Energy: 0.5869376749245832 Energy: 0.4480609477037571 Energy: 0.5869376749250712 Energy: 0.5767374256152126 Energy: 0.4515787536663689 Energy: 0.5767374256161889 Energy: 0.451578753666857 Energy: 0.5767374256157007 Energy: 0.451578753666857 Energy: 0.5236094754711957 Energy: 0.4946598423109721 Energy: 0.5236094754711957 Energy: 0.4946598423109721 Energy: 0.5236094754716838 Energy: 0.494659842310484 Energy: 0.46151020585425756 Energy: 0.5467760239243101 Energy: 0.46151020585425756 Energy: 0.5467760239243101 Energy: 0.46151020585425756 Energy: 0.546776023923822 Energy: 0.5149562522107198 Energy: 0.45167730643620363 Energy: 0.5149562522107198 Energy: 0.45167730643620363 Energy: 0.5149562522107198 Energy: 0.45167730643620363 Energy: 0.519880551205278 Energy: 0.45039663173677646 Energy: 0.5198805512038136 Energy: 0.45039663173628836 Energy: 0.5198805512077186 Energy: 0.45039663173628836 Energy: 0.4446102552129925 Energy: 0.5286268146597518 Energy: 0.4446102552129925 Energy: 0.5286268146612162 Energy: 0.4446102552134806 Energy: 0.5286268146612162 Energy: 0.5433760065671946 Energy: 0.4476739402444936 Energy: 0.5433760065628017 Energy: 0.4476739402444936 Energy: 0.5433760065662184 Energy: 0.4476739402444936 Energy: 0.5269945481713277 Energy: 0.44761603102198855 Energy: 0.5269945481713277 Energy: 0.44761603102198855 Energy: 0.5269945481718158 Energy: 0.44761603102198855 minimum gb energy = 0.44080306229438043 eV minimum distance = 2.63262597234794 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.44076099143493497 Energy: 0.5506154161371231 Energy: 0.44076099143493497 Energy: 0.5506154161371231 Energy: 0.44076099143493497 Energy: 0.5506154161371231 Energy: 0.5451657532926231 Energy: 0.4610656724068369 Energy: 0.5451657532926231 Energy: 0.4610656724064078 Energy: 0.5451657532930522 Energy: 0.4610656724064078 Energy: 0.539224828616153 Energy: 0.4301591852763203 Energy: 0.539224828616582 Energy: 0.4301591852763203 Energy: 0.539224828616153 Energy: 0.4301591852763203 Energy: 0.423830738072828 Energy: 0.6431406741499658 Energy: 0.423830738072828 Energy: 0.5786541495381947 Energy: 0.423830738072828 Energy: 0.5786541495377656 Energy: 0.4300093388581381 Energy: 0.5036932081274312 Energy: 0.4300093388585671 Energy: 0.5036932081274312 Energy: 0.4300093388585671 Energy: 0.5036932081274312 Energy: 0.5350967069935193 Energy: 0.42391600272166985 Energy: 0.5350967069930903 Energy: 0.42391600272166985 Energy: 0.5350967069930903 Energy: 0.42391600272166985 Energy: 0.43358749794376067 Energy: 0.5406067054446618 Energy: 0.4335874979433316 Energy: 0.5406067054472363 Energy: 0.4335874979433316 Energy: 0.5406067054463782 Energy: 0.42937242195783026 Energy: 0.6879005437162856 Energy: 0.42937242195783026 Energy: 0.5463741913640612 Energy: 0.4293724219569721 Energy: 0.5463741913632029 Energy: 0.5352476365320397 Energy: 0.4248069385428703 Energy: 0.5352476365320397 Energy: 0.4248069385424412 Energy: 0.5352476365316107 Energy: 0.4248069385428703 Energy: 0.43407338479740704 Energy: 0.4770394691953069 Energy: 0.4340733847978361 Energy: 0.4643978546067029 Energy: 0.43407338479697793 Energy: 0.4643978546079901 Energy: 0.42264183692317203 Energy: 0.5958523377568745 Energy: 0.42264183692360113 Energy: 0.5958523377568745 Energy: 0.42264183692274293 Energy: 0.5958523377568745 Energy: 0.6114847140476215 Energy: 0.449934927571783 Energy: 0.6114847140476215 Energy: 0.44993492757135395 Energy: 0.6114847140480506 Energy: 0.44993492757135395 Energy: 0.5437067035281303 Energy: 0.43019127983390865 Energy: 0.5437067035281303 Energy: 0.43019127983390865 Energy: 0.5437067035277012 Energy: 0.43019127983390865 Energy: 0.4435879491109089 Energy: 0.6213154985967656 Energy: 0.4435879491104798 Energy: 0.5722241394115621 Energy: 0.4435879491109089 Energy: 0.5722241394115621 Energy: 0.44182130827498617 Energy: 0.4659861712365792 Energy: 0.4418213082758443 Energy: 0.46598617123700825 Energy: 0.4418213082762735 Energy: 0.46598617123700825 Energy: 0.5411528139001549 Energy: 0.43180189781189166 Energy: 0.5411528139001549 Energy: 0.43180189781189166 Energy: 0.5411528139001549 Energy: 0.43180189781189166 Energy: 0.4226070762528233 Energy: 0.6052803544372405 Energy: 0.42260707625239424 Energy: 0.6052803544372405 Energy: 0.42260707625239424 Energy: 0.6052803544372405 Energy: 0.42020822791169016 Energy: 0.5020788706859776 Energy: 0.42020822791169016 Energy: 0.5020788706851194 Energy: 0.4202082279121191 Energy: 0.5020788706846904 Energy: 0.5342676007820989 Energy: 0.42465957776079316 Energy: 0.5342676007820989 Energy: 0.424659577759935 Energy: 0.5342676007820989 Energy: 0.4246595777603641 Energy: 0.43383470107638333 Energy: 0.4537404362708227 Energy: 0.4338347010772415 Energy: 0.4537404362703937 Energy: 0.4338347010772415 Energy: 0.4537404362699646 Energy: 0.4310621221009963 Energy: 0.6035511656771954 Energy: 0.4310621221009963 Energy: 0.6035511656780536 Energy: 0.4310621221009963 Energy: 0.6035511656780536 Energy: 0.6010172494588742 Energy: 0.423995069888511 Energy: 0.6010172494588742 Energy: 0.423995069888511 Energy: 0.6010172494588742 Energy: 0.423995069888511 Energy: 0.5457020309919541 Energy: 0.4240348367539474 Energy: 0.5457020309919541 Energy: 0.4240348367526602 Energy: 0.5457020309919541 Energy: 0.42403483675351833 Energy: 0.4238444294560901 Energy: 0.5383410896114574 Energy: 0.4238444294565192 Energy: 0.5383410896110284 Energy: 0.4238444294556611 Energy: 0.5383410896110284 Energy: 0.45783872344303067 Energy: 0.43799620792379035 Energy: 0.4578387234438888 Energy: 0.43799620792421945 Energy: 0.4578387234443178 Energy: 0.43799620792421945 Energy: 0.5434311312834078 Energy: 0.4317354387671032 Energy: 0.5434311312829788 Energy: 0.43173543876753223 Energy: 0.5434311312834078 Energy: 0.4317354387671032 Energy: 0.440903078905826 Energy: 0.5724259662981749 Energy: 0.44090307890625496 Energy: 0.572425966298604 Energy: 0.440903078905826 Energy: 0.5724259662981749 Energy: 0.4410731059859917 Energy: 0.5104450771877455 Energy: 0.44107310598684984 Energy: 0.510445077187336 Energy: 0.44107310598727895 Energy: 0.5104450771881747 Energy: 0.5382184145660853 Energy: 0.4300565834801938 Energy: 0.5382184145665145 Energy: 0.4300565834797648 Energy: 0.5382184145660853 Energy: 0.4300565834801938 Energy: 0.4201766013119874 Energy: 0.47395566598879324 Energy: 0.4201766013119874 Energy: 0.47395566598922234 Energy: 0.4201766013119874 Energy: 0.4739556659896514 Energy: 0.42260140567984517 Energy: 0.5372166299025216 Energy: 0.4226014056794161 Energy: 0.5372166299025216 Energy: 0.4226014056794161 Energy: 0.5372166299025216 Energy: 0.5601801051702904 Energy: 0.4241226265900346 Energy: 0.5601801051707195 Energy: 0.4241226265900346 Energy: 0.5601801051702904 Energy: 0.4241226265900346 Energy: 0.5386510879773758 Energy: 0.42415566814305805 Energy: 0.5386510879773758 Energy: 0.42415566814305805 Energy: 0.5386510879773758 Energy: 0.42415566814348715 minimum gb energy = 0.4201766013119874 eV minimum distance = 2.64136760826257 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011810500844865329 Energy: 0.6174269017719154 Energy: 0.011810500844865329 Energy: 0.6174269017719154 Energy: 0.011810500844865329 Energy: 0.6174269017719154 Energy: 0.013385395618252178 Energy: 0.18354544161268033 Energy: 0.013385395618252178 Energy: 0.18354544161268033 Energy: 0.013385395617895679 Energy: 0.18354544161268033 Energy: 0.18354544161268033 Energy: 0.18350235513406482 Energy: 0.18350235513406482 Energy: 0.18350235513547103 Energy: 0.18350235513547103 Energy: 0.18350235513511448 Energy: 0.013385395617895679 Energy: 0.1835454416123436 Energy: 0.013385395617539179 Energy: 0.1835454416116306 Energy: 0.013385395617539179 Energy: 0.1835454416119871 minimum gb energy = 0.011810500844865329 eV minimum distance = 2.83249543200715 Angstroms sigma value = 1