Model name: model_name=Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.025435209274292 cohesive_energy=3.381271244149137 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: 0.010542766548533209 Energy: 0.3384910351851832 Energy: 0.010542766548533209 Energy: 0.33849103518540796 Energy: 0.010542766548786126 Energy: 0.3384910351851832 Energy: 0.3384910351851832 Energy: 0.011215327116854277 Energy: 0.3384910351851832 Energy: 0.011215327109435375 Energy: 0.33849103518540796 Energy: 0.01121532714453466 Energy: 0.010542766548533209 Energy: 0.33849103518540796 Energy: 0.010542766548533209 Energy: 0.33849103518540796 Energy: 0.010542766548533209 Energy: 0.33849103518540796 Energy: 0.3384910351851832 Energy: 0.011215327126970964 Energy: 0.3384910351851832 Energy: 0.011215327124273181 Energy: 0.33849103518493023 Energy: 0.011215327121041462 Energy: 0.010542766548533209 Energy: 0.3384910351851832 Energy: 0.010542766548533209 Energy: 0.33849103518540796 Energy: 0.010542766548786126 Energy: 0.3384910351851832 Energy: 0.3384910351851832 Energy: 0.011215327126240316 Energy: 0.3384910351851832 Energy: 0.011215327121041462 Energy: 0.3384910351851832 Energy: 0.011215327117107194 minimum gb energy = 0.010542766548533209 eV minimum distance = 2.84220163925966 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.5454338546443548 Energy: 0.5406199427769373 Energy: 0.5454338546443548 Energy: 0.5406199427769373 Energy: 0.5454338546443548 Energy: 0.5406199427769373 Energy: 0.5854279624511548 Energy: 0.5109094265553765 Energy: 0.5854279624511548 Energy: 0.5109094265553765 Energy: 0.5854279624517637 Energy: 0.5109094265553765 Energy: 0.5215479453525629 Energy: 0.5482444363513375 Energy: 0.5215479453525629 Energy: 0.548244436352555 Energy: 0.5215479453525629 Energy: 0.5482444363519464 Energy: 0.5398225477406696 Energy: 0.5261600678790893 Energy: 0.539822547742496 Energy: 0.5261600678790893 Energy: 0.539822547740061 Energy: 0.5261600678790893 Energy: 0.52176074812042 Energy: 0.5612378387834924 Energy: 0.52176074812042 Energy: 0.5612378387822747 Energy: 0.52176074812042 Energy: 0.5612378387822747 Energy: 0.5199810295318449 Energy: 0.5061463630506127 Energy: 0.5199810295324537 Energy: 0.5061463630512215 Energy: 0.5199810295312361 Energy: 0.5061463630506127 Energy: 0.5133157215043221 Energy: 0.5314564144771312 Energy: 0.5133157215043221 Energy: 0.5314564144783489 Energy: 0.534106364208664 Energy: 0.5314564144777401 Energy: 0.5203931710178218 Energy: 0.5741638622884317 Energy: 0.5203931710178218 Energy: 0.5741638622878231 Energy: 0.5203931710178218 Energy: 0.5741638622884317 Energy: 0.5568952297439465 Energy: 0.5360086380972946 Energy: 0.5568952297445552 Energy: 0.5360086380972946 Energy: 0.5568952297439465 Energy: 0.5360086380972946 Energy: 0.5003102610694256 Energy: 0.5644578879361497 Energy: 0.5003102610694256 Energy: 0.5644578879361497 Energy: 0.5003102610700344 Energy: 0.5644578879361497 Energy: 0.5436768226398713 Energy: 0.5054590415875195 Energy: 0.5436768226398713 Energy: 0.5054590415875195 Energy: 0.5436768226398713 Energy: 0.5054590415875195 Energy: 0.5005798462114242 Energy: 0.5908212960320073 Energy: 0.5005798462114242 Energy: 0.5908212960313984 Energy: 0.5005798462108154 Energy: 0.5908212960313984 Energy: 0.591687077166183 Energy: 0.5024987394104953 Energy: 0.591687077166183 Energy: 0.5024987394104953 Energy: 0.591687077166183 Energy: 0.5024987394104953 Energy: 0.5166965082874139 Energy: 0.5350837898319091 Energy: 0.5166965082874139 Energy: 0.5350837898319091 Energy: 0.5166965082874139 Energy: 0.5350837898319091 Energy: 0.6108734680979577 Energy: 0.5032831677723635 Energy: 0.6108734680979577 Energy: 0.5032831677723635 Energy: 0.6108734680979577 Energy: 0.5032831677729723 Energy: 0.5961582099793199 Energy: 0.547500447876971 Energy: 0.5961582099793199 Energy: 0.547500447876971 Energy: 0.5961582099793199 Energy: 0.547500447876971 Energy: 0.5237658199020183 Energy: 0.5492080175378227 Energy: 0.5237658199020183 Energy: 0.5492080175378227 Energy: 0.5237658199020183 Energy: 0.5492080175378227 Energy: 0.5243154249201806 Energy: 0.5216956714024029 Energy: 0.5243154249201806 Energy: 0.5216956714024029 Energy: 0.5243154249201806 Energy: 0.5216956714024029 Energy: 0.5303769227790374 Energy: 0.5255322992123918 Energy: 0.5303769227790374 Energy: 0.5255322992117829 Energy: 0.5303769227790374 Energy: 0.5255322992123918 Energy: 0.5552673023242392 Energy: 0.5060432236497546 Energy: 0.5552673023242392 Energy: 0.5060432236497546 Energy: 0.5552673023248478 Energy: 0.5060432236497546 Energy: 0.5103734689546231 Energy: 0.5791407890601163 Energy: 0.5103734689546231 Energy: 0.5791407890607251 Energy: 0.5103734689546231 Energy: 0.5791407890607251 Energy: 0.5487849594564322 Energy: 0.5321820434025122 Energy: 0.5487849594564322 Energy: 0.5321820434025122 Energy: 0.5487849594564322 Energy: 0.5321820434025122 Energy: 0.4984998239660769 Energy: 0.5805573627555649 Energy: 0.4984998239660769 Energy: 0.5805573627549563 Energy: 0.4984998239660769 Energy: 0.5805573627549563 minimum gb energy = 0.4984998239660769 eV minimum distance = 2.55595348678297 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.5429200152396266 Energy: 0.5618458195659198 Energy: 0.5257489904342156 Energy: 0.5618458195659198 Energy: 0.5429200152396266 Energy: 0.5618458195659198 Energy: 0.5711696223663507 Energy: 0.5167357689683174 Energy: 0.5711696223670433 Energy: 0.5167357689679712 Energy: 0.571169622366697 Energy: 0.5167357689679712 Energy: 0.5085580074404494 Energy: 0.5115265198916756 Energy: 0.508558007440103 Energy: 0.5115265198913294 Energy: 0.508558007440103 Energy: 0.5115265198909831 Energy: 0.5753367755821599 Energy: 0.5483477968099943 Energy: 0.5753367755821599 Energy: 0.5483477968096481 Energy: 0.5753367755825062 Energy: 0.5483477968096481 Energy: 0.5291235573829814 Energy: 0.5496041785275989 Energy: 0.5291235573829814 Energy: 0.5496041785286377 Energy: 0.5291235573833277 Energy: 0.5496041785275989 Energy: 0.5272830083671552 Energy: 0.5131907524582335 Energy: 0.5272830083702719 Energy: 0.5131907524585799 Energy: 0.5272830083706181 Energy: 0.5131907524585799 Energy: 0.5701407529657927 Energy: 0.5260584885395568 Energy: 0.5701407529654464 Energy: 0.5260584885395568 Energy: 0.5701407529657927 Energy: 0.5260584885395568 Energy: 0.4889722523392425 Energy: 0.5438938569094749 Energy: 0.4889722523395888 Energy: 0.5438938569080898 Energy: 0.4889722523395888 Energy: 0.5438938569094749 Energy: 0.5314565960907576 Energy: 0.5097183085135764 Energy: 0.5314565960907576 Energy: 0.5097183085135764 Energy: 0.5314565960911037 Energy: 0.5097183085132301 Energy: 0.5042151834581298 Energy: 0.5381297300376165 Energy: 0.5042141281696814 Energy: 0.5381297300455812 Energy: 0.5042151834577836 Energy: 0.5381297300435034 Energy: 0.5815657431620709 Energy: 0.5034429817447175 Energy: 0.5815657431631098 Energy: 0.5034429817447175 Energy: 0.581565743163456 Energy: 0.5034429817447175 Energy: 0.5078068272458954 Energy: 0.531100315928858 Energy: 0.5078069632764419 Energy: 0.5311003159295505 Energy: 0.5078068272462417 Energy: 0.531100315928858 Energy: 0.5268174792765037 Energy: 0.5066246005303213 Energy: 0.526817479275465 Energy: 0.5066246005296288 Energy: 0.5268174792758112 Energy: 0.5066246005303213 Energy: 0.5261756103062949 Energy: 0.5665511911691469 Energy: 0.5261756103059485 Energy: 0.5665511911691469 Energy: 0.5261756103059485 Energy: 0.5665511911688006 Energy: 0.5388976823331565 Energy: 0.5188295077504071 Energy: 0.5388976823310787 Energy: 0.5188295077504071 Energy: 0.5388976823338489 Energy: 0.5188295077497146 Energy: 0.5079196755590714 Energy: 0.5120154344052003 Energy: 0.5079196755583788 Energy: 0.5120154344055464 Energy: 0.5079196755587251 Energy: 0.5120154344052003 Energy: 0.5746162410793152 Energy: 0.544885888299052 Energy: 0.5746162410793152 Energy: 0.544885888299052 Energy: 0.5746162410800078 Energy: 0.544885888299052 Energy: 0.5284313796200703 Energy: 0.506724722772631 Energy: 0.5284313796200703 Energy: 0.5067247227722849 Energy: 0.5284313796200703 Energy: 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0.5096080248731842 Energy: 0.5370356367237086 Energy: 0.5096080248731842 Energy: 0.5370356367240549 Energy: 0.5096080248731842 Energy: 0.5089790349707051 Energy: 0.5794217740197426 Energy: 0.5089790349717438 Energy: 0.5794217740200889 Energy: 0.5089790349707051 Energy: 0.57942177401905 Energy: 0.5636539281081744 Energy: 0.5275541152206537 Energy: 0.5636539281081744 Energy: 0.5275541152209998 Energy: 0.5636539281081744 Energy: 0.5275541152206537 Energy: 0.5186156036755956 Energy: 0.5386913067555308 Energy: 0.518615603676288 Energy: 0.5386913067558772 Energy: 0.5186156036759418 Energy: 0.5386913067555308 Energy: 0.5123081857615364 Energy: 0.5076273297516681 Energy: 0.5123081857611901 Energy: 0.5076273297513219 Energy: 0.5123081857608438 Energy: 0.5076273297513219 Energy: 0.5460330896190164 Energy: 0.5741257620292766 Energy: 0.5460330896190164 Energy: 0.5741257620292766 Energy: 0.5460330896190164 Energy: 0.5741257620296227 Energy: 0.5070501009812867 Energy: 0.5282979952309117 Energy: 0.5070375603502015 Energy: 0.5282979952312579 Energy: 0.5070501009812867 Energy: 0.5282979952312579 Energy: 0.529675751989102 Energy: 0.5290183115708194 Energy: 0.5296757519894484 Energy: 0.5290183115708194 Energy: 0.5296757519894484 Energy: 0.529018311570473 Energy: 0.5320566091167293 Energy: 0.5669384822211381 Energy: 0.5320566091167293 Energy: 0.5669384822214844 Energy: 0.5320566091170756 Energy: 0.5669384822214844 Energy: 0.5437231687969795 Energy: 0.48840111052233137 Energy: 0.5437231687962868 Energy: 0.48840111052233137 Energy: 0.5437231687966332 Energy: 0.4884011105226776 Energy: 0.5078458036644293 Energy: 0.510983808003088 Energy: 0.5078458036644293 Energy: 0.5109838080034343 Energy: 0.5078458036644293 Energy: 0.510983808003088 minimum gb energy = 0.48840111052233137 eV minimum distance = 2.66596463955318 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.5447122732516981 Energy: 0.5474918401397406 Energy: 0.5447122732516981 Energy: 0.5474918401397406 Energy: 0.5447122732516981 Energy: 0.5474918401397406 Energy: 0.5810866271154445 Energy: 0.5303068585626574 Energy: 0.5810866271154445 Energy: 0.5303068585626574 Energy: 0.5810866271154445 Energy: 0.5303068585618551 Energy: 0.5172085494772861 Energy: 0.5506193921770897 Energy: 0.5172085494772861 Energy: 0.5506193921762873 Energy: 0.5172085494772861 Energy: 0.5506193921770897 Energy: 0.5343536150749817 Energy: 0.5086506649795212 Energy: 0.5343536150749817 Energy: 0.5086506649795212 Energy: 0.5343536150741793 Energy: 0.5086506649795212 Energy: 0.5524239168084273 Energy: 0.5228633946945247 Energy: 0.5524239168076248 Energy: 0.5228633946953269 Energy: 0.5524239168076248 Energy: 0.5228633946953269 Energy: 0.5857059644928931 Energy: 0.5218760358898726 Energy: 0.5857059644920909 Energy: 0.5218760358898726 Energy: 0.5857059644920909 Energy: 0.5218760358898726 Energy: 0.5416251841306392 Energy: 0.5222508003897655 Energy: 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0.535722461424097 Energy: 0.5846440833347156 Energy: 0.535722461424097 Energy: 0.5149523081429583 Energy: 0.5152925707826678 Energy: 0.5149523081429583 Energy: 0.5152925707826678 Energy: 0.5149523081429583 Energy: 0.5152925707834701 Energy: 0.5427898756807085 Energy: 0.5410059300658769 Energy: 0.5427898756807085 Energy: 0.5410059300658769 Energy: 0.5427898756807085 Energy: 0.5410059300658769 Energy: 0.5526393878762224 Energy: 0.5218502534802348 Energy: 0.5526393878762224 Energy: 0.5218502534802348 Energy: 0.5526393878762224 Energy: 0.5218502534802348 Energy: 0.5597942205434193 Energy: 0.5555854634913643 Energy: 0.559794220542617 Energy: 0.5555854634913643 Energy: 0.5597942205434193 Energy: 0.5555854634913643 Energy: 0.5386740735671145 Energy: 0.5238080288584599 Energy: 0.5386740735671145 Energy: 0.5238080288584599 Energy: 0.5386740735671145 Energy: 0.5238080288584599 minimum gb energy = 0.5036963143798652 eV minimum distance = 2.5576441322668 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.4910173102795522 Energy: 0.5078831454045749 Energy: 0.4715125870435578 Energy: 0.5078831454045749 Energy: 0.4910173102795522 Energy: 0.5078831454045749 Energy: 0.5364011735602261 Energy: 0.5392846188528657 Energy: 0.5364011735602261 Energy: 0.5392846188528657 Energy: 0.536401173560702 Energy: 0.5392846188528657 Energy: 0.46985967538685464 Energy: 0.555851366919332 Energy: 0.46985967538685464 Energy: 0.555851366919332 Energy: 0.46985967538733064 Energy: 0.5558513669198077 Energy: 0.5286117405942975 Energy: 0.4697958460546779 Energy: 0.5286117405938215 Energy: 0.4697958460546779 Energy: 0.5286117405942975 Energy: 0.4697958460546779 Energy: 0.4887405334584639 Energy: 0.47184831830797774 Energy: 0.4887405334584639 Energy: 0.47184831830797774 Energy: 0.4887405334584639 Energy: 0.47184831830797774 Energy: 0.4612732913674437 Energy: 0.47271085463461227 Energy: 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Energy: 0.5178508992878119 Energy: 0.5512827007096631 Energy: 0.4910173102795522 Energy: 0.5078831454045749 Energy: 0.4715125870435578 Energy: 0.5078831454045749 Energy: 0.4910173102795522 Energy: 0.5078831454045749 Energy: 0.536401173560702 Energy: 0.5392846188528657 Energy: 0.536401173560702 Energy: 0.5392846188523898 Energy: 0.536401173560702 Energy: 0.5392846188523898 Energy: 0.46985967538733064 Energy: 0.5558513669198077 Energy: 0.46985967538733064 Energy: 0.5558513669198077 Energy: 0.46985967538733064 Energy: 0.555851366919332 Energy: 0.5286117405938215 Energy: 0.4697958460546779 Energy: 0.5286117405938215 Energy: 0.4697958460546779 Energy: 0.5286117405938215 Energy: 0.4697958460546779 Energy: 0.4887405334584639 Energy: 0.47184831830750185 Energy: 0.4887405334584639 Energy: 0.47184831830702584 Energy: 0.4887405334584639 Energy: 0.47184831830702584 Energy: 0.4612732913674437 Energy: 0.47271085463508816 Energy: 0.4612732913674437 Energy: 0.47271085463508816 Energy: 0.4612732913674437 Energy: 0.47271085463461227 Energy: 0.49794307939318455 Energy: 0.4699196328208917 Energy: 0.49794307939318455 Energy: 0.4699196328208917 Energy: 0.49794307939318455 Energy: 0.4699196328213676 Energy: 0.46998549733821915 Energy: 0.5657693283568199 Energy: 0.46999038313572916 Energy: 0.5657693283572958 Energy: 0.46998549733821915 Energy: 0.5657693283568199 Energy: 0.5446160000202309 Energy: 0.5512827007096631 Energy: 0.544616000019755 Energy: 0.5512827007091872 Energy: 0.5446160000202309 Energy: 0.5512827007091872 Energy: 0.4715125870435578 Energy: 0.5078831454045749 Energy: 0.47151258704403376 Energy: 0.5078831454045749 Energy: 0.4715125870435578 Energy: 0.5078831454045749 Energy: 0.536401173560702 Energy: 0.5392846188528657 Energy: 0.536401173560702 Energy: 0.5392846188528657 Energy: 0.536401173560702 Energy: 0.5392846188528657 Energy: 0.46985967538685464 Energy: 0.555851366919332 Energy: 0.46985967538733064 Energy: 0.555851366919332 Energy: 0.46985967538733064 Energy: 0.555851366919332 minimum gb energy = 0.4612732913674437 eV minimum distance = 2.60361245276374 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.45761082010154414 Energy: 0.43929776176452134 Energy: 0.45761082010154414 Energy: 0.43929776176452134 Energy: 0.45761082010154414 Energy: 0.43929776176452134 Energy: 0.5942998029848857 Energy: 0.4180672981981525 Energy: 0.5942998029848857 Energy: 0.4180672981969868 Energy: 0.5942998029848857 Energy: 0.4180672981981525 Energy: 0.4538879461340298 Energy: 0.5102485419348319 Energy: 0.4538879461340298 Energy: 0.5102485419348319 Energy: 0.45388794613519556 Energy: 0.5102485419359978 Energy: 0.4850505180351227 Energy: 0.42708164704754203 Energy: 0.4850505180362885 Energy: 0.42708164704754203 Energy: 0.4850505180351227 Energy: 0.42708164704754203 Energy: 0.5098223149926789 Energy: 0.42676089979578574 Energy: 0.5098223149926789 Energy: 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Energy: 0.34677282806815807 Energy: 0.26706784265383454 Energy: 0.34677282806815807 Energy: 0.26239725360126515 Energy: 0.2970598393039649 Energy: 0.3416780074917413 Energy: 0.2970598393039649 Energy: 0.4246435534395239 Energy: 0.2970598393039649 Energy: 0.3416780074909957 Energy: 0.2684540514104751 Energy: 0.22492371084145626 Energy: 0.2684540514104751 Energy: 0.16330450018617096 Energy: 0.2684540514104751 Energy: 0.22492371084145626 Energy: 0.2422075855813253 Energy: 0.34671979044153156 Energy: 0.2422075855813253 Energy: 0.34671979044153156 Energy: 0.2422075855813253 Energy: 0.34671979044153156 Energy: 0.16345406866186943 Energy: 0.29684018730329775 Energy: 0.16345406866186943 Energy: 0.29684018730329775 Energy: 0.16345406866186943 Energy: 0.29684018730329775 Energy: 0.16339974495021523 Energy: 0.19557742558345306 Energy: 0.16339974495021523 Energy: 0.19557742558345306 Energy: 0.16339974495021523 Energy: 0.1955774255841987 Energy: 0.34668883052085714 Energy: 0.24213867220370253 Energy: 0.34668883052085714 Energy: 0.24213867220444815 Energy: 0.34668883052085714 Energy: 0.24213867220370253 Energy: 0.26878136953858656 Energy: 0.16330494419826388 Energy: 0.2687813695393322 Energy: 0.22492647258591356 Energy: 0.26878136953858656 Energy: 0.16330494419751823 Energy: 0.1955931938723198 Energy: 0.3447233816105194 Energy: 0.1955931938723198 Energy: 0.3447233816105194 Energy: 0.1955931938723198 Energy: 0.3447233816105194 Energy: 0.24179828033000994 Energy: 0.3506983112133636 Energy: 0.24179828033000994 Energy: 0.35069831121261796 Energy: 0.24179828033000994 Energy: 0.3506983112133636 Energy: 0.2841237832345324 Energy: 0.26725313003745 Energy: 0.1632996375214027 Energy: 0.26725313003745 Energy: 0.2841237832345324 Energy: 0.26725313003745 Energy: 0.34677282806815807 Energy: 0.2623972536020107 Energy: 0.34677282806815807 Energy: 0.26706784265383454 Energy: 0.34677282806741244 Energy: 0.2623972536020107 Energy: 0.2970598393039649 Energy: 0.3416780074932325 Energy: 0.2970598393039649 Energy: 0.4246435534395239 Energy: 0.2970598393039649 Energy: 0.3416780074917413 Energy: 0.2684540514104751 Energy: 0.22492371084145626 Energy: 0.2684540514104751 Energy: 0.16330450018617096 Energy: 0.2684540514104751 Energy: 0.22492371084145626 Energy: 0.2422075855813253 Energy: 0.34671979044153156 Energy: 0.2422075855813253 Energy: 0.34671979044153156 Energy: 0.2422075855813253 Energy: 0.34671979044153156 Energy: 0.16345406866186943 Energy: 0.29684018730329775 Energy: 0.16345406866186943 Energy: 0.2968401873025521 Energy: 0.16345406866186943 Energy: 0.29684018730329775 Energy: 0.16339974495021523 Energy: 0.1955774255841987 Energy: 0.16339974495021523 Energy: 0.1955774255841987 Energy: 0.16339974495096082 Energy: 0.1955774255841987 Energy: 0.34668883052085714 Energy: 0.24213867220370253 Energy: 0.34668883052085714 Energy: 0.24213867220370253 Energy: 0.3466888305216028 Energy: 0.24213867220370253 minimum gb energy = 0.1632996375214027 eV minimum distance = 2.74136858632609 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.3674813789705647 Energy: 0.41568881846136074 Energy: 0.3674813789705647 Energy: 0.41568881846136074 Energy: 0.36748137897001854 Energy: 0.41568881846136074 Energy: 0.4422550451853307 Energy: 0.369641705780842 Energy: 0.44225504518478453 Energy: 0.3696417057813881 Energy: 0.44225504518478453 Energy: 0.369641705780842 Energy: 0.40213122227901127 Energy: 0.4881015799050607 Energy: 0.40213122227901127 Energy: 0.4881015799050607 Energy: 0.40213122227901127 Energy: 0.4881015799050607 Energy: 0.4502530377409614 Energy: 0.3381445601319346 Energy: 0.45025303774150766 Energy: 0.33814456013084226 Energy: 0.4502530377431462 Energy: 0.3381445601319346 Energy: 0.3941540609752495 Energy: 0.3199948297701823 Energy: 0.3941540609757957 Energy: 0.3199948297701823 Energy: 0.3941540609752495 Energy: 0.3199948297701823 Energy: 0.39292543281998144 Energy: 0.33462789560025746 Energy: 0.39292543282052766 Energy: 0.3346278956013498 Energy: 0.39292543282052766 Energy: 0.3346278955986189 Energy: 0.32090557438094397 Energy: 0.36276098221470565 Energy: 0.3209055743814901 Energy: 0.36276098221470565 Energy: 0.32090557438094397 Energy: 0.36276098221306713 Energy: 0.41338100604406636 Energy: 0.3055760018215706 Energy: 0.41338100604406636 Energy: 0.3055760018221168 Energy: 0.41338100604406636 Energy: 0.3055760018221168 Energy: 0.41207509234797485 Energy: 0.3069285202778018 Energy: 0.41207509234797485 Energy: 0.30692852027834805 Energy: 0.41207509234797485 Energy: 0.3069285202778018 Energy: 0.3151400748167097 Energy: 0.4499763999536081 Energy: 0.31514007481616346 Energy: 0.4499763999536081 Energy: 0.3151400748167097 Energy: 0.44997639995415434 Energy: 0.4020913092887689 Energy: 0.40306641987079184 Energy: 0.40209130928931514 Energy: 0.403066419871338 Energy: 0.4020913092887689 Energy: 0.40306641987024566 Energy: 0.3639525314736431 Energy: 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Energy: 0.5088869397601342 Energy: 0.4278152504035962 Energy: 0.5088869397601342 Energy: 0.427815250405781 Energy: 0.39228325198175384 Energy: 0.33665520262507453 Energy: 0.3922832519812076 Energy: 0.3366552026239822 Energy: 0.3922832519812076 Energy: 0.33665520262507453 Energy: 0.39477708441729514 Energy: 0.3723486789200192 Energy: 0.3947770844178414 Energy: 0.3723486789200192 Energy: 0.39477708441729514 Energy: 0.3723486789200192 Energy: 0.3147037589681837 Energy: 0.3353213525534972 Energy: 0.3147037589687299 Energy: 0.3353213525524048 Energy: 0.3147037589692761 Energy: 0.33532135255295104 Energy: 0.34562135286671264 Energy: 0.3619721175165394 Energy: 0.3456213528661664 Energy: 0.3619721175165394 Energy: 0.34562135286671264 Energy: 0.3619721175165394 Energy: 0.42076948058960895 Energy: 0.3795362101129978 Energy: 0.42076948058906277 Energy: 0.37953621011245164 Energy: 0.42076948058960895 Energy: 0.3795362101129978 Energy: 0.41157625366508066 Energy: 0.356036929044274 Energy: 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Energy: 0.3457879922279625 Energy: 0.3499428967587624 Energy: 0.3457879922279625 Energy: 0.3499428967587624 Energy: 0.3448691754683826 Energy: 0.38379995588482996 Energy: 0.3448691754679521 Energy: 0.39408087004759546 Energy: 0.3448691754679521 Energy: 0.37470425868262497 Energy: 0.3833423631590989 Energy: 0.4429981607591062 Energy: 0.3833423631590989 Energy: 0.44299816075953663 Energy: 0.3833423631590989 Energy: 0.4429981607599672 Energy: 0.4297371649078794 Energy: 0.3297996408511033 Energy: 0.42973716490744895 Energy: 0.3297996408511033 Energy: 0.4297371649087404 Energy: 0.3297996408506728 Energy: 0.3382196161142957 Energy: 0.421906352021872 Energy: 0.3382196161142957 Energy: 0.421906352021872 Energy: 0.3382196161142957 Energy: 0.421906352021872 Energy: 0.3513255051221511 Energy: 0.3590118929795676 Energy: 0.35132550512258165 Energy: 0.3590118929795676 Energy: 0.35132550512258165 Energy: 0.3590118929795676 Energy: 0.32992794960049254 Energy: 0.43549022834921675 Energy: 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Energy: 0.3977343421836151 Energy: 0.3653459550163967 Energy: 0.39773434218331294 Energy: 0.3653459550160945 Energy: 0.4231690779328238 Energy: 0.3819717628726288 Energy: 0.4231690779328238 Energy: 0.3819717628726288 Energy: 0.4231690779328238 Energy: 0.3819717628729309 Energy: 0.37592845686313625 Energy: 0.5148114063878441 Energy: 0.37592845686313625 Energy: 0.5148114063878441 Energy: 0.3759284568628341 Energy: 0.5148114063905632 Energy: 0.3957852929532142 Energy: 0.36811336919891835 Energy: 0.39578529293357634 Energy: 0.3681133691992205 Energy: 0.3957852929387124 Energy: 0.36811336919891835 Energy: 0.3647772234902819 Energy: 0.3906221166528068 Energy: 0.36477722349088615 Energy: 0.3906221166525046 Energy: 0.36477722349088615 Energy: 0.3906221166528068 Energy: 0.4110494464180244 Energy: 0.36050887843557655 Energy: 0.41104944641832647 Energy: 0.36050887843557655 Energy: 0.41104944641832647 Energy: 0.36050887843557655 Energy: 0.3588296750263785 Energy: 0.42538603226064303 Energy: 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Energy: 0.38611997410308274 Energy: 0.4081286653572283 Energy: 0.38611997410308274 Energy: 0.40812866535743486 Energy: 0.3861199741028762 Energy: 0.393946043450533 Energy: 0.3734464136551899 Energy: 0.3939460434507396 Energy: 0.3734464136551899 Energy: 0.393946043450533 Energy: 0.3734464136551899 Energy: 0.5016612392352203 Energy: 0.4795524704464366 Energy: 0.5016612392352203 Energy: 0.4795524704466431 Energy: 0.5016612392352203 Energy: 0.4795524704466431 minimum gb energy = 0.37342847199230156 eV minimum distance = 2.68259466792291 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 0.5803442423635019 Energy: 0.4557328698883371 Energy: 0.5803442423635019 Energy: 0.4557328698883371 Energy: 0.5803442423638018 Energy: 0.4557328698883371 Energy: 0.47675300995174563 Energy: 0.43586847698949055 Energy: 0.47675300995204534 Energy: 0.43586847698949055 Energy: 0.47675300995149583 Energy: 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Energy: 0.4196478939016097 Energy: 0.5109258997227637 Energy: 0.4196478939006832 Energy: 0.5109258997232269 Energy: 0.4196478939016097 Energy: 0.5109258997232269 Energy: 0.4418732431410662 Energy: 0.45780316940662813 Energy: 0.4418732431415294 Energy: 0.45780316940662813 Energy: 0.44187324314060294 Energy: 0.45780316940662813 Energy: 0.4459957832671041 Energy: 0.4854459078311056 Energy: 0.4459957832675673 Energy: 0.4854459078311056 Energy: 0.44599578326664086 Energy: 0.4854459078311056 Energy: 0.4812823752584705 Energy: 0.42541798053311497 Energy: 0.4812823752584705 Energy: 0.42541798053357827 Energy: 0.4812823752589337 Energy: 0.42541798053404145 Energy: 0.481377535131215 Energy: 0.4466672469826419 Energy: 0.4813775351339943 Energy: 0.4466672469826419 Energy: 0.4813775351335311 Energy: 0.4466672469826419 Energy: 0.5106081279912543 Energy: 0.4335527524854607 Energy: 0.5106081279912543 Energy: 0.43355275248499753 Energy: 0.5106081279912543 Energy: 0.43355275248499753 Energy: 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Energy: 0.47324546569644005 Energy: 0.48433406191125183 Energy: 0.4732454656959768 Energy: 0.48433406191125183 Energy: 0.47324546569644005 Energy: 0.45791557353302714 Energy: 0.42529733007480897 Energy: 0.45791557353302714 Energy: 0.42529733007388254 Energy: 0.4579155735334903 Energy: 0.4252973300757354 Energy: 0.5178116817039186 Energy: 0.4669757307367898 Energy: 0.5178116817034553 Energy: 0.4669757307367898 Energy: 0.5178116817039186 Energy: 0.4669757307363266 Energy: 0.4380242426348258 Energy: 0.47902329282381173 Energy: 0.4380242426348258 Energy: 0.47902329282381173 Energy: 0.4380242426348258 Energy: 0.47902329282381173 Energy: 0.46362602495017513 Energy: 0.46628582697290644 Energy: 0.46362602495063837 Energy: 0.46628582697336973 Energy: 0.46362602495063837 Energy: 0.46628582697336973 Energy: 0.43740130709155745 Energy: 0.45496827105283294 Energy: 0.43740130709155745 Energy: 0.45496827105283294 Energy: 0.43740130709155745 Energy: 0.45496827105283294 minimum gb energy = 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Energy: 0.3733125861772771 Energy: 0.43925738423313704 Energy: 0.46670806981551866 Energy: 0.4278852594474025 Energy: 0.46670806981551866 Energy: 0.4278852594474025 Energy: 0.46670806981551866 Energy: 0.4278852594482508 Energy: 0.41664274928860867 Energy: 0.44769658590633743 Energy: 0.41664274928776046 Energy: 0.44769658590633743 Energy: 0.41664274928776046 Energy: 0.44769658590633743 Energy: 0.4529082987948057 Energy: 0.3992460842646336 Energy: 0.4529082987948057 Energy: 0.3992460842646336 Energy: 0.45290829879395755 Energy: 0.39924608426548186 Energy: 0.37329791415230396 Energy: 0.5176439080785812 Energy: 0.37329791415230396 Energy: 0.5176439080785812 Energy: 0.37329791415230396 Energy: 0.5176439080785812 Energy: 0.42949844039126156 Energy: 0.3867386555443628 Energy: 0.42949844039126156 Energy: 0.3867386555443628 Energy: 0.42949844039126156 Energy: 0.3867386555443628 Energy: 0.4207528034455436 Energy: 0.39847413053182823 Energy: 0.4207528034455436 Energy: 0.39847413053182823 Energy: 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Energy: 0.3555994540476711 Energy: 0.32377155281293907 Energy: 0.3555994540480596 Energy: 0.3237715528125505 Energy: 0.387433058582506 Energy: 0.4014958654337491 Energy: 0.3874330585828946 Energy: 0.4014958654337491 Energy: 0.387433058582506 Energy: 0.4014958654337491 Energy: 0.3165932999620253 Energy: 0.2907981532292893 Energy: 0.3165932999643568 Energy: 0.2907981532281236 Energy: 0.31659329996513397 Energy: 0.2907981532281236 Energy: 0.34448123385012375 Energy: 0.34633545750200184 Energy: 0.34448123384973517 Energy: 0.3463354575023905 Energy: 0.34448123384973517 Energy: 0.34633545750200184 Energy: 0.30559918842505956 Energy: 0.3441709860330849 Energy: 0.30559918842467093 Energy: 0.3441709860338621 Energy: 0.30559918842505956 Energy: 0.34417098603269625 Energy: 0.34499930359802927 Energy: 0.3062303158720802 Energy: 0.3449993035976407 Energy: 0.3062303158716916 Energy: 0.3449993035976407 Energy: 0.3062303158716916 Energy: 0.3152338190646299 Energy: 0.3667724600925502 Energy: 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Energy: 0.38613188828272166 Energy: 0.3842218957958626 Energy: 0.38613188828272166 Energy: 0.31575690967054404 Energy: 0.34217326473230464 Energy: 0.31575690966898967 Energy: 0.34217326473191606 Energy: 0.3157569096713212 Energy: 0.34217326473230464 Energy: 0.2794062547588523 Energy: 0.3442375186355569 Energy: 0.27940625476079517 Energy: 0.3442375186355569 Energy: 0.2794062547572979 Energy: 0.3442375186340026 minimum gb energy = 0.2794062547572979 eV minimum distance = 2.60203788465202 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.031599557926964374 Energy: 0.05634249911541508 Energy: 0.031599557926964374 Energy: 0.05634249911541508 Energy: 0.031599557926964374 Energy: 0.05634249911541508 Energy: 0.23816604489579746 Energy: 0.03232056470095327 Energy: 0.23816604489579746 Energy: 0.03232056470036918 Energy: 0.23816604489579746 Energy: 0.03232056470166716 Energy: 0.23816641117621865 Energy: 0.03229422264153122 Energy: 0.23816641117621865 Energy: 0.0322942226412554 Energy: 0.23816641117621865 Energy: 0.03229422263982763 Energy: 0.031599557926964374 Energy: 0.05634249911541508 Energy: 0.031599557926964374 Energy: 0.05634249911541508 Energy: 0.031599557926964374 Energy: 0.05634249911541508 Energy: 0.23816604489579746 Energy: 0.03232056470023939 Energy: 0.23816604489579746 Energy: 0.0323205646995255 Energy: 0.23816604489579746 Energy: 0.032320564699947346 Energy: 0.23816641117621865 Energy: 0.03229422263968162 Energy: 0.23816641117621865 Energy: 0.032294222639973655 Energy: 0.23816641117621865 Energy: 0.03229422263968162 Energy: 0.031599557926964374 Energy: 0.05634249911541508 Energy: 0.031599557926964374 Energy: 0.05634249911541508 Energy: 0.031599557926964374 Energy: 0.05634249911541508 Energy: 0.23816604489579746 Energy: 0.032320564701375114 Energy: 0.23816604489579746 Energy: 0.03232056470051521 Energy: 0.23816604489579746 Energy: 0.03232056470036918 Energy: 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Energy: 0.3404392171020401 Energy: 0.3431611644462773 Energy: 0.26801424900081117 Energy: 0.3431611644462773 Energy: 0.26801424900081117 Energy: 0.3431611644462773 Energy: 0.26801424900081117 Energy: 0.3162900632719987 Energy: 0.3516754869390332 Energy: 0.3162900632719987 Energy: 0.3516754869390332 Energy: 0.316290063272426 Energy: 0.3516754869390332 Energy: 0.3241102874964221 Energy: 0.32851877811889824 Energy: 0.3241102874964221 Energy: 0.32851877811889824 Energy: 0.3241102874964221 Energy: 0.3285187781193255 Energy: 0.3441163417650698 Energy: 0.30980770673674735 Energy: 0.3441163417650698 Energy: 0.3098077067358928 Energy: 0.3441163417650698 Energy: 0.30980770673674735 Energy: 0.3239473065780833 Energy: 0.37003333589601484 Energy: 0.3239473065780833 Energy: 0.3700333358964421 Energy: 0.3239473065780833 Energy: 0.37003333589601484 Energy: 0.33461188221574406 Energy: 0.3171233260077149 Energy: 0.33461188221574406 Energy: 0.3171233260072876 Energy: 0.33461188221574406 Energy: 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0.41567439522007876 Energy: 0.392908745840947 Energy: 0.3750891847533654 Energy: 0.392908745840947 Energy: 0.3750891847533654 Energy: 0.392908745840947 Energy: 0.3750891847533654 Energy: 0.41470880650354713 Energy: 0.41369521482486593 Energy: 0.41470880650293834 Energy: 0.41369521482486593 Energy: 0.4147088065023295 Energy: 0.41369521482486593 Energy: 0.3363217845258656 Energy: 0.38995028205907933 Energy: 0.33632178452160405 Energy: 0.3899502820584705 Energy: 0.33632178452647443 Energy: 0.38995028205907933 Energy: 0.41768734194369045 Energy: 0.3818825553998257 Energy: 0.41768734194369045 Energy: 0.38188255540043453 Energy: 0.41768734194369045 Energy: 0.3818825553998257 Energy: 0.4232698547075701 Energy: 0.43501113234007777 Energy: 0.4232698547075701 Energy: 0.43501113234007777 Energy: 0.4232698547075701 Energy: 0.43501113234007777 Energy: 0.3576487775836502 Energy: 0.41516556026987167 Energy: 0.3576487775836502 Energy: 0.4151655602692628 Energy: 0.35764877758425906 Energy: 0.41516556026987167 minimum gb energy = 0.33518831204079547 eV minimum distance = 2.66837038665318 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.4727209734125419 Energy: 0.404930165104572 Energy: 0.47272097341215563 Energy: 0.40493016510495833 Energy: 0.47272097341215563 Energy: 0.404930165104572 Energy: 0.4172227019337397 Energy: 0.4291840253931455 Energy: 0.4172227019333535 Energy: 0.4291840253931455 Energy: 0.4172227019333535 Energy: 0.4291840253935317 Energy: 0.45148413237203455 Energy: 0.45094518203689743 Energy: 0.45148413237203455 Energy: 0.4509451820372836 Energy: 0.45148413237242074 Energy: 0.45094518203689743 Energy: 0.4553162666331234 Energy: 0.4146622007269659 Energy: 0.4553162666335096 Energy: 0.4146622007265797 Energy: 0.4553162666335096 Energy: 0.4146622007273521 Energy: 0.3963229355572511 Energy: 0.4247129982338163 Energy: 0.39632293555763737 Energy: 0.4247129982345887 Energy: 0.39632293555763737 Energy: 0.4247129982334301 Energy: 0.4901778677361246 Energy: 0.4690635549240637 Energy: 0.49017786773728317 Energy: 0.4800335615531436 Energy: 0.4901778677368969 Energy: 0.47683699575989646 Energy: 0.4176307024944323 Energy: 0.397132255142067 Energy: 0.4176307024948185 Energy: 0.397132255142067 Energy: 0.4176307024944323 Energy: 0.397132255142067 Energy: 0.4078151193205254 Energy: 0.45752819952660606 Energy: 0.4078151193205254 Energy: 0.4575281995262199 Energy: 0.4078151193205254 Energy: 0.4575281995262199 Energy: 0.4278761228340145 Energy: 0.4529347918673693 Energy: 0.4278761228340145 Energy: 0.4529347918677555 Energy: 0.4278761228336283 Energy: 0.4529347918673693 Energy: 0.4644365490998349 Energy: 0.4388600322983053 Energy: 0.4644365491002211 Energy: 0.4388600322979191 Energy: 0.4644365490998349 Energy: 0.4388600322983053 Energy: 0.4327365170497458 Energy: 0.45771113769157584 Energy: 0.4327365170497458 Energy: 0.45771113769196203 Energy: 0.43273651704935967 Energy: 0.45771113769196203 Energy: 0.4197871896190586 Energy: 0.42285602901928504 Energy: 0.4197871896190586 Energy: 0.42285602901928504 Energy: 0.4197871896190586 Energy: 0.42285602901928504 Energy: 0.46688126931453444 Energy: 0.42791333667651843 Energy: 0.4668812693149206 Energy: 0.4279133366769047 Energy: 0.4668812693149206 Energy: 0.4279133366769047 Energy: 0.42676993695177895 Energy: 0.44858815660423856 Energy: 0.42676993695177895 Energy: 0.4485881566038524 Energy: 0.42676993695177895 Energy: 0.4485881566038524 Energy: 0.43296707831255615 Energy: 0.42814103071139975 Energy: 0.4329670783129424 Energy: 0.42814103071139975 Energy: 0.4329670783129424 Energy: 0.42814103071139975 Energy: 0.4552122316861566 Energy: 0.4563867209303106 Energy: 0.4552122316861566 Energy: 0.4563867209306967 Energy: 0.4552122316861566 Energy: 0.4563867209306967 Energy: 0.38617353319636 Energy: 0.4465002444615597 Energy: 0.38617353319867725 Energy: 0.44650024446117353 Energy: 0.3861735331940427 Energy: 0.4465002444615597 Energy: 0.45944887178406657 Energy: 0.45860052150239927 Energy: 0.45944887178406657 Energy: 0.45860052150239927 Energy: 0.4594488717836804 Energy: 0.45860052150278546 Energy: 0.4187085440965271 Energy: 0.45667481933214166 Energy: 0.4187085440965271 Energy: 0.45667481933252785 Energy: 0.4187085440965271 Energy: 0.45667481933252785 Energy: 0.41247305882259994 Energy: 0.4291363362461199 Energy: 0.4124730588233724 Energy: 0.4291363362465061 Energy: 0.4124730588237586 Energy: 0.4291363362465061 Energy: 0.45939471569988055 Energy: 0.44946280282851 Energy: 0.45939471569949436 Energy: 0.44946280282851 Energy: 0.45939471569988055 Energy: 0.44946280282851 Energy: 0.43525330657014794 Energy: 0.41470690227226764 Energy: 0.43525330657014794 Energy: 0.41470690227226764 Energy: 0.43525330657207906 Energy: 0.41470690227226764 Energy: 0.43060391666707404 Energy: 0.45767620115871277 Energy: 0.4306039166674602 Energy: 0.45767620115948515 Energy: 0.43060391666707404 Energy: 0.45767620115948515 Energy: 0.47129094737753585 Energy: 0.422823469387892 Energy: 0.471290947377922 Energy: 0.422823469387892 Energy: 0.47129094737753585 Energy: 0.422823469387892 Energy: 0.4166715157778456 Energy: 0.42320293619775434 Energy: 0.41667151577745937 Energy: 0.42320293619775434 Energy: 0.41667151577745937 Energy: 0.42320293619775434 Energy: 0.4364508358685552 Energy: 0.4558210767084013 Energy: 0.4364508358685552 Energy: 0.4558210767084013 Energy: 0.43645083586816896 Energy: 0.4558210767084013 Energy: 0.41798992306132154 Energy: 0.4141973547540554 Energy: 0.4179899230632526 Energy: 0.4141973547536692 Energy: 0.41798992306209404 Energy: 0.4141973547540554 Energy: 0.45726476572658586 Energy: 0.4646183534822682 Energy: 0.45726476572658586 Energy: 0.464618353481882 Energy: 0.45726476572658586 Energy: 0.4646183534822682 Energy: 0.40952439350591574 Energy: 0.424900697491491 Energy: 0.4095243935047571 Energy: 0.4249006974918772 Energy: 0.40952439350552955 Energy: 0.424900697491491 Energy: 0.4215097673589436 Energy: 0.3945836333348748 Energy: 0.4215097673593298 Energy: 0.3945836333348748 Energy: 0.421509767359716 Energy: 0.3945836333348748 Energy: 0.4720952000650177 Energy: 0.47030388222141667 Energy: 0.47209520006463157 Energy: 0.4703038822210304 Energy: 0.4720952000650177 Energy: 0.47030388222141667 Energy: 0.3955278374148404 Energy: 0.42828546596804834 Energy: 0.3955278374144542 Energy: 0.42828546596804834 Energy: 0.39552783741522657 Energy: 0.4282854659684346 Energy: 0.4561091778071205 Energy: 0.43512962010635303 Energy: 0.4561091778071205 Energy: 0.43512962010712547 Energy: 0.4561091778071205 Energy: 0.4351296201067392 Energy: 0.4312672974272003 Energy: 0.429056690658716 Energy: 0.4312672974272003 Energy: 0.429056690658716 Energy: 0.4312672974272003 Energy: 0.429056690658716 Energy: 0.42479124433936577 Energy: 0.4507144031367992 Energy: 0.4247912443385934 Energy: 0.45071440313718547 Energy: 0.42479124433936577 Energy: 0.4507144031367992 Energy: 0.47988487912602 Energy: 0.40599751853820737 Energy: 0.4798848791252475 Energy: 0.40599751853782123 Energy: 0.4798848791264062 Energy: 0.40599751853820737 Energy: 0.418894397723075 Energy: 0.42628072310049164 Energy: 0.418894397723075 Energy: 0.42628072310049164 Energy: 0.418894397723075 Energy: 0.42628072310049164 minimum gb energy = 0.3861735331940427 eV minimum distance = 2.65347124106931 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5139414316537739 Energy: 0.4712052489908498 Energy: 0.5139414316537739 Energy: 0.4712052489908498 Energy: 0.5139414316537739 Energy: 0.4712052489908498 Energy: 0.473675147616769 Energy: 0.4986177873966715 Energy: 0.473675147616769 Energy: 0.4986177873966715 Energy: 0.473675147616769 Energy: 0.4986177873966715 Energy: 0.5394786434910639 Energy: 0.5029283587147497 Energy: 0.5394786434910639 Energy: 0.5029283587147497 Energy: 0.5394786434921183 Energy: 0.5029283587147497 Energy: 0.5002886703543571 Energy: 0.4892881018114777 Energy: 0.5002886703543571 Energy: 0.4892881018114777 Energy: 0.5002886703543571 Energy: 0.48928810181042315 Energy: 0.4605021886679753 Energy: 0.4899373765222179 Energy: 0.4605021886679753 Energy: 0.48993737652327235 Energy: 0.4605021886679753 Energy: 0.4899373765222179 Energy: 0.5284543860749398 Energy: 0.5122818832025823 Energy: 0.5284543860749398 Energy: 0.5122818832025823 Energy: 0.5284543860738853 Energy: 0.5122818832025823 Energy: 0.5106458901205031 Energy: 0.4691373900607567 Energy: 0.5106458901205031 Energy: 0.4691373900607567 Energy: 0.5106458901205031 Energy: 0.4691373900607567 Energy: 0.4967287005830016 Energy: 0.5056069959210442 Energy: 0.4967287005830016 Energy: 0.5056069959210442 Energy: 0.4967287005830016 Energy: 0.5056069959210442 Energy: 0.47623310221881665 Energy: 0.4724801447510711 Energy: 0.47623310221881665 Energy: 0.4724801447510711 Energy: 0.47623310221881665 Energy: 0.4724801447510711 Energy: 0.5148070574263233 Energy: 0.48105497718401735 Energy: 0.5148070574263233 Energy: 0.48105497718401735 Energy: 0.5148070574263233 Energy: 0.48105497718401735 Energy: 0.47515919020540703 Energy: 0.5019164002950933 Energy: 0.47515919020646147 Energy: 0.5019164002950933 Energy: 0.47515919020540703 Energy: 0.5019164002950933 Energy: 0.5003419442624357 Energy: 0.49804904868786365 Energy: 0.5003419442624357 Energy: 0.49804904868786365 Energy: 0.5003419442624357 Energy: 0.49804904868786365 Energy: 0.5198168747704648 Energy: 0.5120394714537162 Energy: 0.5198168747704648 Energy: 0.5120394714537162 Energy: 0.5198168747704648 Energy: 0.5120394714537162 Energy: 0.4652771097237098 Energy: 0.48826759321134255 Energy: 0.4652771097237098 Energy: 0.48826759321134255 Energy: 0.4652771097237098 Energy: 0.48826759321134255 minimum gb energy = 0.4605021886679753 eV minimum distance = 2.62766533354606 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.5656173693787758 Energy: 0.5564966168041832 Energy: 0.5656173693787758 Energy: 0.5564966168041832 Energy: 0.5656173693787758 Energy: 0.5564966168041832 Energy: 0.5024889853879658 Energy: 0.5483358529463002 Energy: 0.502488985388429 Energy: 0.5483358529463002 Energy: 0.5024889853879658 Energy: 0.5483358529463002 Energy: 0.5388700767445526 Energy: 0.5413556506643875 Energy: 0.5388700767445526 Energy: 0.5413556506643875 Energy: 0.5388700767445526 Energy: 0.5413556506643875 Energy: 0.5446974006873858 Energy: 0.5094398546622967 Energy: 0.544697400687849 Energy: 0.5094398546622967 Energy: 0.544697400687849 Energy: 0.5094398546622967 Energy: 0.5420511812761089 Energy: 0.5424241224299335 Energy: 0.5420511812765719 Energy: 0.5424241224299335 Energy: 0.5420511812761089 Energy: 0.5424241224299335 Energy: 0.5259552410575833 Energy: 0.556231688980051 Energy: 0.5259552410575833 Energy: 0.556231688980051 Energy: 0.5259552410575833 Energy: 0.556231688980051 Energy: 0.545199421789358 Energy: 0.530564296988238 Energy: 0.545199421789358 Energy: 0.530564296988238 Energy: 0.545199421789358 Energy: 0.530564296988238 Energy: 0.5317057584014334 Energy: 0.5429683563302236 Energy: 0.5317057584014334 Energy: 0.5429683563302236 Energy: 0.5317057584014334 Energy: 0.5429683563302236 Energy: 0.5358524999026072 Energy: 0.5377387012905016 Energy: 0.535852499902144 Energy: 0.5377387012905016 Energy: 0.535852499902144 Energy: 0.5377387012905016 Energy: 0.5370646791102011 Energy: 0.5381939646194376 Energy: 0.5370646791102011 Energy: 0.5381939646194376 Energy: 0.5370646791102011 Energy: 0.5381939646189743 Energy: 0.526676847203846 Energy: 0.547811933585707 Energy: 0.526676847203846 Energy: 0.547811933585707 Energy: 0.526676847203846 Energy: 0.547811933585707 Energy: 0.5388332904235256 Energy: 0.5651455767894548 Energy: 0.5388332904235256 Energy: 0.5651455767894548 Energy: 0.5388332904239888 Energy: 0.5651455767894548 Energy: 0.5461117034817143 Energy: 0.534229753598638 Energy: 0.5461117034817143 Energy: 0.534229753598638 Energy: 0.5461117034817143 Energy: 0.5342297535991013 Energy: 0.525885778324638 Energy: 0.551902463005894 Energy: 0.5258857783241748 Energy: 0.551902463005894 Energy: 0.525885778324638 Energy: 0.551902463005894 Energy: 0.5197054584931203 Energy: 0.5248490952985175 Energy: 0.5197054584931203 Energy: 0.5248490952985175 Energy: 0.5197054584931203 Energy: 0.5248490952985175 Energy: 0.5443002659089469 Energy: 0.5226127071516584 Energy: 0.5443002659089469 Energy: 0.5226127071516584 Energy: 0.5443002659089469 Energy: 0.5226127071516584 Energy: 0.512222343448654 Energy: 0.551253965807955 Energy: 0.512222343448654 Energy: 0.551253965807955 Energy: 0.5122223434481908 Energy: 0.551253965807955 Energy: 0.5611267078971357 Energy: 0.5673326699204196 Energy: 0.5611267078971357 Energy: 0.5673326699204196 Energy: 0.5611267078971357 Energy: 0.5673326699204196 Energy: 0.5281606162830572 Energy: 0.5088026169730355 Energy: 0.5281606162830572 Energy: 0.5088026169730355 Energy: 0.5281606162830572 Energy: 0.5088026169730355 Energy: 0.5247883603260713 Energy: 0.5403553458167635 Energy: 0.5247883603260713 Energy: 0.5403553458167635 Energy: 0.5247883603260713 Energy: 0.5403553458167635 Energy: 0.5056315628636266 Energy: 0.5200316770323002 Energy: 0.5056315628631634 Energy: 0.5200316770323002 Energy: 0.5056315628631634 Energy: 0.5200316770323002 Energy: 0.562860113454313 Energy: 0.5574856131901894 Energy: 0.562860113454313 Energy: 0.5574856131901894 Energy: 0.5628601134547763 Energy: 0.5574856131901894 Energy: 0.5398512646529018 Energy: 0.541340140935633 Energy: 0.5398512646529018 Energy: 0.541340140935633 Energy: 0.5398512646529018 Energy: 0.541340140935633 Energy: 0.5558108824414899 Energy: 0.5490056458005258 Energy: 0.5558108824419533 Energy: 0.5490056458005258 Energy: 0.5558108824414899 Energy: 0.5490056458005258 Energy: 0.5356268323210777 Energy: 0.534153857082678 Energy: 0.5356268323210777 Energy: 0.5341538570831413 Energy: 0.5356268323210777 Energy: 0.5341538570831413 Energy: 0.517168920941057 Energy: 0.546058670635069 Energy: 0.517168920941057 Energy: 0.546058670635069 Energy: 0.517168920941057 Energy: 0.546058670635069 Energy: 0.5250534159919635 Energy: 0.5515346179293259 Energy: 0.5250534159924268 Energy: 0.5515346179293259 Energy: 0.5250534159924268 Energy: 0.5515346179297891 Energy: 0.5478828231920161 Energy: 0.5194452896573897 Energy: 0.5478828231920161 Energy: 0.5194452896578527 Energy: 0.5478828231920161 Energy: 0.5194452896578527 Energy: 0.5255100927413043 Energy: 0.5564125523256037 Energy: 0.5255100927413043 Energy: 0.5564125523256037 Energy: 0.5255100927413043 Energy: 0.5564125523256037 Energy: 0.5203127582497702 Energy: 0.49882100849283934 Energy: 0.5203127582497702 Energy: 0.4988210084933026 Energy: 0.5203127582497702 Energy: 0.49882100849283934 Energy: 0.5390412642429951 Energy: 0.5450721969919157 Energy: 0.5390412642425318 Energy: 0.5450721969909893 Energy: 0.5390412642429951 Energy: 0.5450721969919157 minimum gb energy = 0.49882100849283934 eV minimum distance = 2.58689392915519 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.5029672874439371 Energy: 0.4781714134821177 Energy: 0.5029672874439371 Energy: 0.4781714134821177 Energy: 0.5029672874439371 Energy: 0.4781714134812935 Energy: 0.5295378296117609 Energy: 0.495239714421797 Energy: 0.5295378296117609 Energy: 0.495239714421797 Energy: 0.5295378296117609 Energy: 0.495239714421797 Energy: 0.5419799643902349 Energy: 0.5322809607389868 Energy: 0.5419799643902349 Energy: 0.5322809607389868 Energy: 0.5419799643902349 Energy: 0.5322809607389868 Energy: 0.5014262497539681 Energy: 0.4998363927753664 Energy: 0.5014262497539681 Energy: 0.4998363927745421 Energy: 0.5014262497539681 Energy: 0.4998363927753664 Energy: 0.5420957739221915 Energy: 0.5323102352070479 Energy: 0.5420957739221915 Energy: 0.5323102352070479 Energy: 0.5420957739221915 Energy: 0.5323102352070479 Energy: 0.5296380851709429 Energy: 0.49161179933691734 Energy: 0.5296380851709429 Energy: 0.49161179933691734 Energy: 0.5296380851709429 Energy: 0.49161179933691734 Energy: 0.5029672874439371 Energy: 0.4781714134812935 Energy: 0.5029672874439371 Energy: 0.4781714134812935 Energy: 0.5029672874439371 Energy: 0.4781714134812935 Energy: 0.5295378296117609 Energy: 0.4952397144226213 Energy: 0.5295378296117609 Energy: 0.4952397144226213 Energy: 0.5295378296117609 Energy: 0.4952397144226213 Energy: 0.5419799643902349 Energy: 0.5322809607389868 Energy: 0.5419799643902349 Energy: 0.5322809607389868 Energy: 0.5419799643902349 Energy: 0.5322809607389868 Energy: 0.5014262497539681 Energy: 0.4809094121461205 Energy: 0.5014262497539681 Energy: 0.4809094121461205 Energy: 0.5014262497539681 Energy: 0.4809094121461205 Energy: 0.5420957739221915 Energy: 0.5323102352070479 Energy: 0.5420957739221915 Energy: 0.5323102352070479 Energy: 0.5420957739221915 Energy: 0.5323102352070479 Energy: 0.5296380851709429 Energy: 0.49161179933691734 Energy: 0.5296380851709429 Energy: 0.49161179933691734 Energy: 0.5296380851709429 Energy: 0.49161179933691734 Energy: 0.5029672874439371 Energy: 0.4781714134812935 Energy: 0.5029672874439371 Energy: 0.4781714134812935 Energy: 0.5029672874439371 Energy: 0.4781714134812935 Energy: 0.5295378296117609 Energy: 0.49523971442344566 Energy: 0.5295378296117609 Energy: 0.4952397144226213 Energy: 0.5295378296117609 Energy: 0.49523971442344566 Energy: 0.5419799643902349 Energy: 0.5322809607389868 Energy: 0.5419799643902349 Energy: 0.5322809607389868 Energy: 0.5419799643902349 Energy: 0.5322809607389868 Energy: 0.5014262497539681 Energy: 0.4809094121461205 Energy: 0.5014262497539681 Energy: 0.4809094121461205 Energy: 0.5014262497539681 Energy: 0.4809094121461205 Energy: 0.5420957739221915 Energy: 0.5323102352070479 Energy: 0.5420957739221915 Energy: 0.5323102352070479 Energy: 0.5420957739221915 Energy: 0.5323102352070479 minimum gb energy = 0.4781714134812935 eV minimum distance = 2.63304228488074 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5523065286610301 Energy: 0.5648545159785192 Energy: 0.5523065286617032 Energy: 0.5648545159785192 Energy: 0.5523065286610301 Energy: 0.5648545159785192 Energy: 0.5312114192770735 Energy: 0.5668913352813114 Energy: 0.5312114192770735 Energy: 0.5668913352813114 Energy: 0.5312114192770735 Energy: 0.5668913352813114 Energy: 0.5322951851060159 Energy: 0.5352026175180692 Energy: 0.5322951851060159 Energy: 0.5352026175173962 Energy: 0.5322951851046699 Energy: 0.5352026175187423 Energy: 0.5372139118102953 Energy: 0.571456790135996 Energy: 0.5372139118102953 Energy: 0.571456790135996 Energy: 0.5372139118102953 Energy: 0.571456790135996 Energy: 0.5386700397512677 Energy: 0.5636287497219642 Energy: 0.5386700397519407 Energy: 0.5636287497219642 Energy: 0.5386700397512677 Energy: 0.5636287497219642 Energy: 0.5386101547528087 Energy: 0.5359597652435026 Energy: 0.5386101547534817 Energy: 0.5359597652441757 Energy: 0.5386101547534817 Energy: 0.5359597652428296 Energy: 0.5302172386529738 Energy: 0.539175028214129 Energy: 0.5302172386529738 Energy: 0.539175028214129 Energy: 0.5302172386529738 Energy: 0.539175028214129 Energy: 0.5333227434159632 Energy: 0.5438510366768492 Energy: 0.5333227434159632 Energy: 0.5438510366761761 Energy: 0.5333227434159632 Energy: 0.5438510366768492 Energy: 0.5640457964626973 Energy: 0.5575294798829248 Energy: 0.5640457964626973 Energy: 0.5575294798835979 Energy: 0.5640457964626973 Energy: 0.5575294798829248 Energy: 0.5317307062580738 Energy: 0.5427643996545537 Energy: 0.5317307062587467 Energy: 0.5427643996545537 Energy: 0.5317307062580738 Energy: 0.5427643996545537 Energy: 0.543317655142933 Energy: 0.5301366986686776 Energy: 0.543317655142933 Energy: 0.5301366986693506 Energy: 0.543317655142933 Energy: 0.5301366986686776 Energy: 0.5547581062069827 Energy: 0.5367594874026497 Energy: 0.5547581062069827 Energy: 0.5367594874033228 Energy: 0.5547581062069827 Energy: 0.5367594874033228 Energy: 0.5354827281765464 Energy: 0.5505427167938473 Energy: 0.5354827281772194 Energy: 0.5505427167945204 Energy: 0.5354827281772194 Energy: 0.5505427167938473 Energy: 0.5453927507188367 Energy: 0.5276279226289828 Energy: 0.5453927507188367 Energy: 0.5276279226289828 Energy: 0.5453927507188367 Energy: 0.5276279226289828 Energy: 0.5638865151573988 Energy: 0.5404807717614947 Energy: 0.5638865151573988 Energy: 0.5404807717614947 Energy: 0.5638865151573988 Energy: 0.5404807717608217 Energy: 0.5546013781707414 Energy: 0.5526412803516003 Energy: 0.5546013781707414 Energy: 0.5526412803522733 Energy: 0.5546013781707414 Energy: 0.5526412803522733 Energy: 0.5684235874936389 Energy: 0.5520824176999861 Energy: 0.5684235874936389 Energy: 0.5520824176999861 Energy: 0.5684235874936389 Energy: 0.5520824176999861 Energy: 0.5955755767611051 Energy: 0.5422923085884275 Energy: 0.5955755767611051 Energy: 0.5422923085884275 Energy: 0.5955755767611051 Energy: 0.5422923085884275 Energy: 0.5295526509796694 Energy: 0.5466674250419807 Energy: 0.5295526509796694 Energy: 0.5466674250419807 Energy: 0.5295526509796694 Energy: 0.5466674250419807 Energy: 0.5527980388727487 Energy: 0.5418942267710762 Energy: 0.5527980388727487 Energy: 0.5418942267710762 Energy: 0.5527980388727487 Energy: 0.5418942267710762 Energy: 0.5562201723307817 Energy: 0.543135857861257 Energy: 0.5562201723307817 Energy: 0.543135857861257 Energy: 0.5562201723307817 Energy: 0.543135857861257 minimum gb energy = 0.5276279226289828 eV minimum distance = 2.60383838062929 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.5371151541712588 Energy: 0.527434044986043 Energy: 0.5147335290293988 Energy: 0.527434044986043 Energy: 0.5371151541712588 Energy: 0.527434044986043 Energy: 0.5284470511275867 Energy: 0.5018748098609882 Energy: 0.5284470511270194 Energy: 0.5018748098609882 Energy: 0.5284470511270194 Energy: 0.5018748098609882 Energy: 0.5001945041893391 Energy: 0.5456271892381439 Energy: 0.5001945041893391 Energy: 0.5456271892381439 Energy: 0.5001945041893391 Energy: 0.5456271892381439 Energy: 0.5027040805598175 Energy: 0.5425279581971318 Energy: 0.5027040805598175 Energy: 0.5425279581965645 Energy: 0.5027040805598175 Energy: 0.5425279581965645 Energy: 0.50183574168105 Energy: 0.5028219768760985 Energy: 0.50183574168105 Energy: 0.5028219768760985 Energy: 0.50183574168105 Energy: 0.5028219768760985 Energy: 0.5279222266503318 Energy: 0.5167619991141069 Energy: 0.5279222266503318 Energy: 0.5167619991141069 Energy: 0.5279222266503318 Energy: 0.5167619991141069 Energy: 0.5147415168700824 Energy: 0.5200424218644246 Energy: 0.5147415168700824 Energy: 0.5200424218644246 Energy: 0.5147415168700824 Energy: 0.520042421864992 Energy: 0.553391967662842 Energy: 0.5242447489881128 Energy: 0.553391967662842 Energy: 0.5242447489881128 Energy: 0.553391967662842 Energy: 0.5242447489881128 Energy: 0.48730582209509526 Energy: 0.5169303657777529 Energy: 0.48730582209452794 Energy: 0.5169303657777529 Energy: 0.48730582209509526 Energy: 0.5169303657777529 Energy: 0.5027935517987476 Energy: 0.4876208303380263 Energy: 0.5027935517987476 Energy: 0.4876208303380263 Energy: 0.5027935517987476 Energy: 0.4876208303380263 Energy: 0.5026610737677228 Energy: 0.5171642549753354 Energy: 0.5026610737677228 Energy: 0.5171642549753354 Energy: 0.5026610737677228 Energy: 0.5171642549753354 Energy: 0.518776545413579 Energy: 0.516936351765029 Energy: 0.5187765454130118 Energy: 0.516936351765029 Energy: 0.518776545413579 Energy: 0.5169363517655963 Energy: 0.525984802168932 Energy: 0.5528647953727328 Energy: 0.5259848021694993 Energy: 0.5528647953727328 Energy: 0.525984802168932 Energy: 0.5528647953727328 Energy: 0.5148008708562707 Energy: 0.48793730837794563 Energy: 0.5148008708562707 Energy: 0.48793730837851296 Energy: 0.5148008708562707 Energy: 0.48793730837794563 Energy: 0.5279808396730047 Energy: 0.5168091647450548 Energy: 0.5279808396730047 Energy: 0.5168091647450548 Energy: 0.5279808396730047 Energy: 0.5168091647456221 Energy: 0.5019243608371748 Energy: 0.5284825836400512 Energy: 0.5019243608371748 Energy: 0.5284825836400512 Energy: 0.5019243608371748 Energy: 0.5284825836400512 Energy: 0.52097564158212 Energy: 0.5205820042787015 Energy: 0.52097564158212 Energy: 0.5205820042787015 Energy: 0.52097564158212 Energy: 0.5205820042787015 Energy: 0.5313100987233053 Energy: 0.5465365875026169 Energy: 0.5313100987216033 Energy: 0.5465365875026169 Energy: 0.5313100987238726 Energy: 0.5465365875020495 Energy: 0.5144260660690121 Energy: 0.5023482639114529 Energy: 0.4946997258947112 Energy: 0.5023482639114529 Energy: 0.5144260660690121 Energy: 0.5023482639108855 Energy: 0.5371151541712588 Energy: 0.527434044986043 Energy: 0.5147335290293988 Energy: 0.527434044986043 Energy: 0.5371151541712588 Energy: 0.527434044986043 Energy: 0.5284470511275867 Energy: 0.5018748098609882 Energy: 0.5284470511275867 Energy: 0.5018748098609882 Energy: 0.5284470511275867 Energy: 0.5018748098609882 Energy: 0.5001945041887975 Energy: 0.5456271892381439 Energy: 0.5001945041893391 Energy: 0.5456271892381439 Energy: 0.5001945041893391 Energy: 0.5456271892381439 Energy: 0.5027040805598175 Energy: 0.5425279581971318 Energy: 0.5027040805598175 Energy: 0.5425279581971318 Energy: 0.5027040805598175 Energy: 0.5425279581965645 Energy: 0.50183574168105 Energy: 0.5028219768760985 Energy: 0.50183574168105 Energy: 0.5028219768760985 Energy: 0.50183574168105 Energy: 0.5028219768760985 Energy: 0.5279222266508992 Energy: 0.5167619991141069 Energy: 0.5279222266508992 Energy: 0.5167619991141069 Energy: 0.5279222266508992 Energy: 0.5167619991141069 minimum gb energy = 0.48730582209452794 eV minimum distance = 2.6329103240274 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.5158639335590527 Energy: 0.581102373521822 Energy: 0.5158639335590527 Energy: 0.581102373521822 Energy: 0.5158639335590527 Energy: 0.581102373521822 Energy: 0.5264283873178153 Energy: 0.5235337813097151 Energy: 0.5264283873178153 Energy: 0.5235337813097151 Energy: 0.5264283873178153 Energy: 0.5235337813097151 Energy: 0.5593638317750106 Energy: 0.49404671628399066 Energy: 0.5593638317755003 Energy: 0.49404671628399066 Energy: 0.5593638317755003 Energy: 0.4940467162844803 Energy: 0.5002913811727383 Energy: 0.5327291816282297 Energy: 0.5002913811727383 Energy: 0.5327291816282297 Energy: 0.5002913811727383 Energy: 0.5327291816282297 Energy: 0.5154555501214824 Energy: 0.5279192097649351 Energy: 0.5154555501214824 Energy: 0.5279192097644677 Energy: 0.5154555501214824 Energy: 0.5279192097649351 Energy: 0.5338673850918728 Energy: 0.5022235630830666 Energy: 0.5338673850918728 Energy: 0.5022235630830666 Energy: 0.5338673850918728 Energy: 0.5022235630830666 Energy: 0.4943151344239583 Energy: 0.5515264957197773 Energy: 0.49431513442297886 Energy: 0.5515264957197773 Energy: 0.49431513442297886 Energy: 0.5515264957192875 Energy: 0.5207990685236716 Energy: 0.5239916098489246 Energy: 0.5207990685236716 Energy: 0.5239916098489246 Energy: 0.5207990685236716 Energy: 0.5239916098489246 Energy: 0.5458298552747579 Energy: 0.4919623295149924 Energy: 0.5458298552747579 Energy: 0.4919623295149924 Energy: 0.5458298552747579 Energy: 0.4919623295149924 Energy: 0.5257121436714007 Energy: 0.5315935972352475 Energy: 0.5257121436714007 Energy: 0.5315935972357372 Energy: 0.5257121436714007 Energy: 0.5315935972352475 Energy: 0.49603284709909934 Energy: 0.599204699508483 Energy: 0.49603284709909934 Energy: 0.599204699508483 Energy: 0.49603284709909934 Energy: 0.599204699508483 Energy: 0.5412715720880983 Energy: 0.49213858747677874 Energy: 0.541271572086629 Energy: 0.49213858747677874 Energy: 0.5412715720880983 Energy: 0.49213858747677874 Energy: 0.5376042979549686 Energy: 0.5141185373980298 Energy: 0.5376042979544788 Energy: 0.5141185373980298 Energy: 0.5376042979544788 Energy: 0.5141185373980298 Energy: 0.49964741805682167 Energy: 0.5328402447644813 Energy: 0.499647418056332 Energy: 0.5328402447644813 Energy: 0.499647418056332 Energy: 0.5328402447644813 Energy: 0.5298632238409202 Energy: 0.4897014361836503 Energy: 0.5298632238414099 Energy: 0.48970143618414 Energy: 0.5298632238414099 Energy: 0.4897014361831606 Energy: 0.523542505741475 Energy: 0.49233572014477034 Energy: 0.5235425057419647 Energy: 0.49233572014477034 Energy: 0.523542505741475 Energy: 0.49233572014477034 Energy: 0.5002116920970087 Energy: 0.5392772496286062 Energy: 0.5002116920974984 Energy: 0.5392772496281165 Energy: 0.5002116920974984 Energy: 0.5392772496286062 Energy: 0.5184470416565569 Energy: 0.5356114236962612 Energy: 0.5184470416565569 Energy: 0.5356114236962612 Energy: 0.5184470416560893 Energy: 0.5356114236962612 Energy: 0.5240811982894134 Energy: 0.501801008903371 Energy: 0.5240811982894134 Energy: 0.501801008903371 Energy: 0.5240811982894134 Energy: 0.501801008903371 Energy: 0.5010270247109505 Energy: 0.5265085073418914 Energy: 0.5010270247119301 Energy: 0.5265085073423811 Energy: 0.5010270247109505 Energy: 0.5265085073418914 Energy: 0.4964615338046086 Energy: 0.5237465076433967 Energy: 0.4964615338046086 Energy: 0.5237465076433967 Energy: 0.4964615338046086 Energy: 0.5237465076433967 Energy: 0.5474970446680303 Energy: 0.49977713441118427 Energy: 0.54749704466852 Energy: 0.49977713441118427 Energy: 0.5474970446680303 Energy: 0.49977713441118427 Energy: 0.5408327851103858 Energy: 0.5182506379998316 Energy: 0.5408327851103858 Energy: 0.5182506379998316 Energy: 0.5408327851103858 Energy: 0.5182506379998316 Energy: 0.5171140967219394 Energy: 0.5196039031407785 Energy: 0.5171140967219394 Energy: 0.5196039031407785 Energy: 0.5171140967224291 Energy: 0.5196039031407785 Energy: 0.5223135787495508 Energy: 0.5009655180860458 Energy: 0.5223135787495508 Energy: 0.5009655180855561 Energy: 0.5223135787495508 Energy: 0.5009655180860458 Energy: 0.5457466629108985 Energy: 0.5105152403581009 Energy: 0.5457466629108985 Energy: 0.5105152403576112 Energy: 0.5457466629104087 Energy: 0.5105152403581009 Energy: 0.49513619325775365 Energy: 0.5276479696814802 Energy: 0.49513619325775365 Energy: 0.5276479696814802 Energy: 0.49513619325775365 Energy: 0.5276479696814802 Energy: 0.5307649669504519 Energy: 0.5014554967109589 Energy: 0.5307649669504519 Energy: 0.5014554967109589 Energy: 0.5307649669504519 Energy: 0.5014554967104692 Energy: 0.5363480413522073 Energy: 0.501764139500185 Energy: 0.536348041352697 Energy: 0.501764139500185 Energy: 0.5363480413522073 Energy: 0.5017641395006748 minimum gb energy = 0.4897014361831606 eV minimum distance = 2.60136469522402 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.48885703622547283 Energy: 0.5348151474023705 Energy: 0.48885703622547283 Energy: 0.534815147402801 Energy: 0.48885703622547283 Energy: 0.5348151474023705 Energy: 0.5214967411438381 Energy: 0.4903673962733176 Energy: 0.5214967411438381 Energy: 0.4903673962733176 Energy: 0.5214967411438381 Energy: 0.4903673962733176 Energy: 0.531006736480159 Energy: 0.4711033957021222 Energy: 0.531006736480159 Energy: 0.4711033957016917 Energy: 0.531006736480159 Energy: 0.4711033957021222 Energy: 0.4688338862788882 Energy: 0.5149686358373985 Energy: 0.4688338862784577 Energy: 0.5149686358378289 Energy: 0.4688338862784577 Energy: 0.5149686358378289 Energy: 0.49061813795692616 Energy: 0.5039113006942493 Energy: 0.49061813795692616 Energy: 0.5039113006938188 Energy: 0.49061813795692616 Energy: 0.5039113006946798 Energy: 0.5306570591562055 Energy: 0.47102631858925526 Energy: 0.5306570591562055 Energy: 0.47102631858925526 Energy: 0.5306570591562055 Energy: 0.47102631858925526 Energy: 0.48002611803477446 Energy: 0.5106376536732762 Energy: 0.48002611803477446 Energy: 0.5106376536728457 Energy: 0.48002611803477446 Energy: 0.5106376536728457 Energy: 0.4692869104996653 Energy: 0.5724897033715949 Energy: 0.4692869104996653 Energy: 0.5724897033715949 Energy: 0.4692869104996653 Energy: 0.5724897033715949 Energy: 0.5305740551186995 Energy: 0.4714293227952972 Energy: 0.5305740551182689 Energy: 0.4714293227952972 Energy: 0.5305740551186995 Energy: 0.4714293227952972 Energy: 0.49023572595158765 Energy: 0.520267026690378 Energy: 0.4902357259520182 Energy: 0.520267026690378 Energy: 0.49023572595417064 Energy: 0.520267026690378 Energy: 0.46724115046323916 Energy: 0.5647318916827668 Energy: 0.46724115046323916 Energy: 0.5647318916827668 Energy: 0.46724115046323916 Energy: 0.5647318916827668 Energy: 0.5222341327742656 Energy: 0.4899757106416754 Energy: 0.522234132773835 Energy: 0.4899757106416754 Energy: 0.522234132773835 Energy: 0.4899757106416754 Energy: 0.5134582234729946 Energy: 0.47119989613794677 Energy: 0.5134582234729946 Energy: 0.47119989613794677 Energy: 0.5134582234729946 Energy: 0.47119989613794677 Energy: 0.4918747926278466 Energy: 0.5735191207877951 Energy: 0.4918747926278466 Energy: 0.5735191207873647 Energy: 0.4918747926278466 Energy: 0.5735191207877951 Energy: 0.5182341247539481 Energy: 0.5041862854187237 Energy: 0.5182341247539481 Energy: 0.5041862854187237 Energy: 0.5182341247539481 Energy: 0.5041862854187237 Energy: 0.5317320121392671 Energy: 0.4779986935869773 Energy: 0.5317320121392671 Energy: 0.4779986935869773 Energy: 0.5317320121396977 Energy: 0.4779986935869773 Energy: 0.4655536245253846 Energy: 0.5188536720056193 Energy: 0.4655536245253846 Energy: 0.5188536720056193 Energy: 0.4655536245253846 Energy: 0.5188536720051888 Energy: 0.46545340778957567 Energy: 0.5037780061726004 Energy: 0.46545340779000616 Energy: 0.5037780061687259 Energy: 0.46545340779000616 Energy: 0.5037780061730308 Energy: 0.5301256541102314 Energy: 0.471430329502617 Energy: 0.5301256541102314 Energy: 0.471430329502617 Energy: 0.5301256541102314 Energy: 0.471430329502617 Energy: 0.47707415281537585 Energy: 0.5173392096895202 Energy: 0.4770741528162368 Energy: 0.5173392096895202 Energy: 0.47707415281537585 Energy: 0.5173392096890896 Energy: 0.46724516011070616 Energy: 0.5626796996094279 Energy: 0.46724516011070616 Energy: 0.5626796996098583 Energy: 0.46724516011070616 Energy: 0.5626796996098583 Energy: 0.5132104641141451 Energy: 0.4708241708345429 Energy: 0.5132104641154364 Energy: 0.4708241708345429 Energy: 0.5132104641154364 Energy: 0.4708241708345429 Energy: 0.5124965059803949 Energy: 0.4696384760809763 Energy: 0.5124965059808253 Energy: 0.4696384760809763 Energy: 0.5124965059808253 Energy: 0.4696384760809763 Energy: 0.46864923993780755 Energy: 0.5275426240129516 Energy: 0.46864923993780755 Energy: 0.5275426240129516 Energy: 0.46864923993780755 Energy: 0.5275426240129516 Energy: 0.5284689680676552 Energy: 0.48480531864511095 Energy: 0.5284689680672247 Energy: 0.4848053186472634 Energy: 0.5284689680672247 Energy: 0.48480531864554144 Energy: 0.5124261384279892 Energy: 0.47814270661618896 Energy: 0.5124261384284198 Energy: 0.47814270661618896 Energy: 0.5124261384284198 Energy: 0.4781427066157585 Energy: 0.48947281919800667 Energy: 0.5090215252284531 Energy: 0.48947281919800667 Energy: 0.5090215252284531 Energy: 0.4894728191984371 Energy: 0.5090215252284531 Energy: 0.4895842062510004 Energy: 0.5282803590650061 Energy: 0.4895842062510004 Energy: 0.5282803590650061 Energy: 0.4895842062510004 Energy: 0.5282803590650061 Energy: 0.5275373336504355 Energy: 0.4765305929398061 Energy: 0.5275373336504355 Energy: 0.4765305929398061 Energy: 0.5275373336504355 Energy: 0.4765305929398061 Energy: 0.46509102128808244 Energy: 0.5190124578628622 Energy: 0.46509102128808244 Energy: 0.5190124578628622 Energy: 0.46509102128808244 Energy: 0.5190124578628622 Energy: 0.46582908435921944 Energy: 0.5016699558563806 Energy: 0.46582908435921944 Energy: 0.5016699558559502 Energy: 0.46582908435921944 Energy: 0.5016699558563806 Energy: 0.5130660741423236 Energy: 0.47076318048287064 Energy: 0.5130660741423236 Energy: 0.47076318048287064 Energy: 0.5130660741418932 Energy: 0.4707631804833011 Energy: 0.5313715255544617 Energy: 0.4684450479857124 Energy: 0.5313715255544617 Energy: 0.46844504798614284 Energy: 0.5313715255544617 Energy: 0.46844504798528186 minimum gb energy = 0.46509102128808244 eV minimum distance = 2.61772110749138 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011923429957861064 Energy: 0.4580211601303193 Energy: 0.011923429957861064 Energy: 0.4580211601303193 Energy: 0.011923429957861064 Energy: 0.4580211601303193 Energy: 0.01305195431019961 Energy: 0.1834634241329458 Energy: 0.013051954310537418 Energy: 0.18346342413328365 Energy: 0.013051954310537418 Energy: 0.18346342413328365 Energy: 0.4583800947224421 Energy: 0.18418040337348748 Energy: 0.4583800947220844 Energy: 0.184180403372792 Energy: 0.45838009472454844 Energy: 0.1841804033738452 Energy: 0.013051954310537418 Energy: 0.18346342413328365 Energy: 0.013051954310537418 Energy: 0.1834634241329458 Energy: 0.013051954310537418 Energy: 0.18346342413328365 minimum gb energy = 0.011923429957861064 eV minimum distance = 2.83310314021507 Angstroms sigma value = 1