Model name: model_name=EAM_Dynamo_Zhakhovsky_2009_Al__MO_519613893196_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=4.031999975442886 cohesive_energy=3.360958551709536 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: 0.010444582270895212 Energy: 0.4491495342138534 Energy: 0.010444582270895212 Energy: 0.4491495342138534 Energy: 0.010444582270895212 Energy: 0.4491495342138534 Energy: 0.4491495342138534 Energy: 0.2217173470360529 Energy: 0.4491495342136014 Energy: 0.2217173470358008 Energy: 0.4491495342136014 Energy: 0.2217173470360529 Energy: 0.010444582270895212 Energy: 0.4491495342138534 Energy: 0.010444582270895212 Energy: 0.4491495342136014 Energy: 0.010444582270895212 Energy: 0.4491495342136014 Energy: 0.4491495342138534 Energy: 0.2217173470360529 Energy: 0.4491495342136014 Energy: 0.2217173470360529 Energy: 0.4491495342138534 Energy: 0.2217173470360529 Energy: 0.010444582270895212 Energy: 0.4491495342136014 Energy: 0.010444582270895212 Energy: 0.4491495342138534 Energy: 0.010444582270895212 Energy: 0.4491495342138534 Energy: 0.4491495342138534 Energy: 0.2217173470358008 Energy: 0.4491495342136014 Energy: 0.2217173470360529 Energy: 0.4491495342138534 Energy: 0.2217173470360529 minimum gb energy = 0.010444582270895212 eV minimum distance = 2.81217521164887 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.5558576532888357 Energy: 0.5294818619127812 Energy: 0.5558576532888357 Energy: 0.5294818619127812 Energy: 0.5558576532888357 Energy: 0.5294818619127812 Energy: 0.595410841434491 Energy: 0.5006643554733341 Energy: 0.5954108414338841 Energy: 0.5006643554733341 Energy: 0.5954108414350977 Energy: 0.5006643554733341 Energy: 0.5399536159693676 Energy: 0.5567038791653054 Energy: 0.5399536159693676 Energy: 0.5567038791653054 Energy: 0.5399536159687608 Energy: 0.5567038791646987 Energy: 0.5969856911011543 Energy: 0.5172908693995378 Energy: 0.5969856911011543 Energy: 0.5172908693995378 Energy: 0.5969856911011543 Energy: 0.517290869398931 Energy: 0.529873822914214 Energy: 0.5536384579654318 Energy: 0.5298738229148209 Energy: 0.5536384579654318 Energy: 0.529873822914214 Energy: 0.5536384579654318 Energy: 0.5543403716931398 Energy: 0.5030454536126097 Energy: 0.5543403716925329 Energy: 0.5030454536126097 Energy: 0.5543403716937466 Energy: 0.5030454536126097 Energy: 0.5145192996998259 Energy: 0.542902660377337 Energy: 0.5145192996998259 Energy: 0.5429026603767302 Energy: 0.514519299699219 Energy: 0.542902660377337 Energy: 0.5180381992845576 Energy: 0.5833245669967935 Energy: 0.5180381992851645 Energy: 0.5833245669967935 Energy: 0.5180381992845576 Energy: 0.5833245669967935 Energy: 0.5710784043071292 Energy: 0.5478716247963925 Energy: 0.5710784043065223 Energy: 0.5478716247963925 Energy: 0.5710784043065223 Energy: 0.5478716247963925 Energy: 0.4902170183514741 Energy: 0.575209076142028 Energy: 0.4902170183514741 Energy: 0.575209076141421 Energy: 0.49021701835086734 Energy: 0.575209076141421 Energy: 0.5553212386204377 Energy: 0.5019368946388936 Energy: 0.5553212386204377 Energy: 0.5019368946388936 Energy: 0.5553212386204377 Energy: 0.5019368946388936 Energy: 0.4894171491583838 Energy: 0.5253895729834547 Energy: 0.4894171491583838 Energy: 0.5253895728997409 Energy: 0.48941714915777695 Energy: 0.5253895729045955 Energy: 0.6059315876408884 Energy: 0.48658411981160804 Energy: 0.6059315876408884 Energy: 0.4865841198122149 Energy: 0.6059315876414952 Energy: 0.48658411981160804 Energy: 0.5124359887493314 Energy: 0.5257045266756935 Energy: 0.5124359887487246 Energy: 0.5257045266756935 Energy: 0.5124359887493314 Energy: 0.5257045266763002 Energy: 0.6119670863745328 Energy: 0.4962681915136701 Energy: 0.6119670863745328 Energy: 0.4962681915136701 Energy: 0.6119670863745328 Energy: 0.49626819151427687 Energy: 0.6165511939360424 Energy: 0.5578384250059568 Energy: 0.6165511939366493 Energy: 0.5578384250059568 Energy: 0.6165511939354357 Energy: 0.5578384250059568 Energy: 0.535440372638936 Energy: 0.5383408751613371 Energy: 0.5354403726395428 Energy: 0.5383408751613371 Energy: 0.535440372638936 Energy: 0.5383408751613371 Energy: 0.535406043805134 Energy: 0.5236748160165773 Energy: 0.5354060438057409 Energy: 0.5236748160159704 Energy: 0.535406043805134 Energy: 0.5236748160159704 Energy: 0.5345308321228425 Energy: 0.5172314047961082 Energy: 0.5345308321228425 Energy: 0.5172314047961082 Energy: 0.5345308321240562 Energy: 0.5172314047961082 Energy: 0.5652894550742243 Energy: 0.5031408182776149 Energy: 0.5652894550742243 Energy: 0.5031408182776149 Energy: 0.5652894550742243 Energy: 0.5031408182776149 Energy: 0.5057521566358837 Energy: 0.590604453715223 Energy: 0.505752156635277 Energy: 0.590604453715223 Energy: 0.505752156635277 Energy: 0.5906044537146438 Energy: 0.5602378585620089 Energy: 0.5442515699840821 Energy: 0.560237858561402 Energy: 0.5442515699840821 Energy: 0.5602378585620089 Energy: 0.5442515699840821 Energy: 0.49633632158479457 Energy: 0.5941473985049818 Energy: 0.49633632158540136 Energy: 0.5941473985055886 Energy: 0.49633632158540136 Energy: 0.5941473985049818 minimum gb energy = 0.48658411981160804 eV minimum distance = 2.57136039623914 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.6078390970498504 Energy: 0.5719347920768542 Energy: 0.6078390970498504 Energy: 0.5719347920768542 Energy: 0.6078390970501956 Energy: 0.5719347920768542 Energy: 0.5928479349731642 Energy: 0.5190265715145097 Energy: 0.5928479349738545 Energy: 0.5190265715145097 Energy: 0.5928479349735093 Energy: 0.5190265715148549 Energy: 0.5092561402553648 Energy: 0.5205819857165495 Energy: 0.5092561402560551 Energy: 0.5205819857165495 Energy: 0.5092561402550196 Energy: 0.5205819857168946 Energy: 0.5623960233786084 Energy: 0.580756212246688 Energy: 0.5623960233786084 Energy: 0.580756212246688 Energy: 0.5623960233775728 Energy: 0.5807562122463428 Energy: 0.5361013283302755 Energy: 0.5507614507137087 Energy: 0.5361013283292398 Energy: 0.5507614507140538 Energy: 0.5361013283285496 Energy: 0.5507614507137087 Energy: 0.5049997558421152 Energy: 0.5091934524119333 Energy: 0.50499975584177 Energy: 0.5091934524119333 Energy: 0.5049997558414249 Energy: 0.5091934524119333 Energy: 0.5714794354276023 Energy: 0.5784735296375134 Energy: 0.5714794354276023 Energy: 0.5784735296375134 Energy: 0.5714794354272571 Energy: 0.5784735296375134 Energy: 0.48429432700100494 Energy: 0.6096518825532776 Energy: 0.4842943269999694 Energy: 0.6096518825505164 Energy: 0.48429432700135 Energy: 0.6096518825522421 Energy: 0.507816920247476 Energy: 0.5100158965130055 Energy: 0.5078169202464405 Energy: 0.5100158965130055 Energy: 0.507816920247476 Energy: 0.5100158965130055 Energy: 0.49453923380510856 Energy: 0.5994668046247941 Energy: 0.4945392338033827 Energy: 0.5994668046247941 Energy: 0.49453923380441817 Energy: 0.5994668046247941 Energy: 0.6210464553705214 Energy: 0.4945833491745656 Energy: 0.6210464553708667 Energy: 0.49458334917491076 Energy: 0.6210464553712117 Energy: 0.49458334917491076 Energy: 0.5089082621967501 Energy: 0.5432675229650414 Energy: 0.5089082621970952 Energy: 0.5432675229650414 Energy: 0.5089082621970952 Energy: 0.5432675229650414 Energy: 0.5465840924249921 Energy: 0.4882243236987459 Energy: 0.5465840924249921 Energy: 0.4882243236987459 Energy: 0.546584092424647 Energy: 0.4882243236987459 Energy: 0.545748342276377 Energy: 0.5723915694903928 Energy: 0.5457483422753416 Energy: 0.5723915694900477 Energy: 0.5457483422760319 Energy: 0.5723915694903928 Energy: 0.5549650275681937 Energy: 0.5208690988958792 Energy: 0.5549650275688839 Energy: 0.5208690988958792 Energy: 0.5549650275681937 Energy: 0.5208690988958792 Energy: 0.5085604135508439 Energy: 0.5188050394060921 Energy: 0.5085604135504987 Energy: 0.5188050394060921 Energy: 0.5085604135508439 Energy: 0.5188050394060921 Energy: 0.5673967830085404 Energy: 0.5664664097850962 Energy: 0.5673967830085404 Energy: 0.5664664097850962 Energy: 0.5673967830081953 Energy: 0.5664664097847512 Energy: 0.5359815835439737 Energy: 0.5085906539055823 Energy: 0.5359815835436286 Energy: 0.5085906539055823 Energy: 0.5359815835439737 Energy: 0.5085906539055823 Energy: 0.506388996650244 Energy: 0.518902638941233 Energy: 0.5063889966498988 Energy: 0.5189026389415782 Energy: 0.5063889966488633 Energy: 0.5189026389415782 Energy: 0.5741442650212997 Energy: 0.5789981680333782 Energy: 0.5741442650212997 Energy: 0.5789981680330331 Energy: 0.5741442650209546 Energy: 0.5789981680333782 Energy: 0.48337069624851503 Energy: 0.5946818791282429 Energy: 0.48337069624920537 Energy: 0.5946818791282429 Energy: 0.48337069624955054 Energy: 0.5946818791278977 Energy: 0.5080455799443487 Energy: 0.5108268392747227 Energy: 0.5080455799498712 Energy: 0.5108268392747227 Energy: 0.5080455799440036 Energy: 0.5108268392747227 Energy: 0.49420460219380236 Energy: 0.596676618984356 Energy: 0.4942046021941476 Energy: 0.5966766189847011 Energy: 0.49420460219518303 Energy: 0.5966766189850462 Energy: 0.6202039635844462 Energy: 0.5362598522520712 Energy: 0.6202039635834108 Energy: 0.536259852251726 Energy: 0.6202039635837558 Energy: 0.5362598522520712 Energy: 0.5092484825193806 Energy: 0.504886682967043 Energy: 0.5092484825197259 Energy: 0.504886682967388 Energy: 0.5092484825193806 Energy: 0.504886682967043 Energy: 0.6087033875404988 Energy: 0.5636654717340732 Energy: 0.6087033875401536 Energy: 0.5636654717340732 Energy: 0.6087033875401536 Energy: 0.5636654717340732 Energy: 0.6089889620375866 Energy: 0.5611482997562608 Energy: 0.6089889620372414 Energy: 0.5611482997566061 Energy: 0.6089889620375866 Energy: 0.5611482997562608 Energy: 0.5096838337963389 Energy: 0.5202836070383557 Energy: 0.5096838337963389 Energy: 0.5202836070380107 Energy: 0.509683833796684 Energy: 0.5202836070380107 Energy: 0.5970416045946397 Energy: 0.5185633838544268 Energy: 0.5970416045936041 Energy: 0.5185633838544268 Energy: 0.5970416045936041 Energy: 0.5185633838540816 Energy: 0.4942186749097345 Energy: 0.6223108755024331 Energy: 0.49421867490904425 Energy: 0.6223108755024331 Energy: 0.49421867491007965 Energy: 0.6223108755024331 Energy: 0.5374898862744907 Energy: 0.5100622788778415 Energy: 0.5374898862786324 Energy: 0.5100622788778415 Energy: 0.5374898862741454 Energy: 0.5100622788778415 Energy: 0.48762455222413925 Energy: 0.5781860697835111 Energy: 0.48762455222344886 Energy: 0.5781860697835111 Energy: 0.48762455222517465 Energy: 0.5781860697835111 Energy: 0.573692609743054 Energy: 0.5789994132769373 Energy: 0.5736926097427087 Energy: 0.5789994132769373 Energy: 0.573692609743054 Energy: 0.5789994132769373 Energy: 0.5215417917015455 Energy: 0.5550578578915816 Energy: 0.5215417917032713 Energy: 0.5550578578919267 Energy: 0.5215417917012003 Energy: 0.5550578578915816 Energy: 0.5206805667527754 Energy: 0.5092328369356836 Energy: 0.5206805667520851 Energy: 0.5092328369356836 Energy: 0.5206805667524302 Energy: 0.5092328369356836 Energy: 0.5706380495469658 Energy: 0.5616289680923688 Energy: 0.5706380495493819 Energy: 0.5616289680923688 Energy: 0.570638049547311 Energy: 0.5616289680923688 Energy: 0.5086452371358289 Energy: 0.5359158910282013 Energy: 0.5086452371368645 Energy: 0.5359158910278562 Energy: 0.508645237136174 Energy: 0.5359158910282013 Energy: 0.5085935856639067 Energy: 0.506582068301489 Energy: 0.5085935856628712 Energy: 0.506582068301489 Energy: 0.5085935856621809 Energy: 0.506582068301489 Energy: 0.5458666877544535 Energy: 0.5719990691694726 Energy: 0.5458666877523825 Energy: 0.5719990691694726 Energy: 0.5458666877547986 Energy: 0.5719990691698178 Energy: 0.6267051557397637 Energy: 0.4828332956065252 Energy: 0.6267051557397637 Energy: 0.4828332956065252 Energy: 0.6267051557397637 Energy: 0.4828332956065252 Energy: 0.5089307129298181 Energy: 0.5076831802640129 Energy: 0.5089307129291276 Energy: 0.5076831802640129 Energy: 0.5089307129298181 Energy: 0.5076831802640129 minimum gb energy = 0.4828332956065252 eV minimum distance = 2.68573775627579 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.5482554024015925 Energy: 0.5538327257598683 Energy: 0.5482554024015925 Energy: 0.5538327257598683 Energy: 0.5482554024015925 Energy: 0.5538327257598683 Energy: 0.5912924084266126 Energy: 0.5238070630567673 Energy: 0.5912924084266126 Energy: 0.523807063057567 Energy: 0.5912924084266126 Energy: 0.523807063057567 Energy: 0.5176358504782302 Energy: 0.5500970804008497 Energy: 0.5176358504782302 Energy: 0.5500970804008497 Energy: 0.5176358504782302 Energy: 0.5500970804008497 Energy: 0.544006876196931 Energy: 0.4886843185174424 Energy: 0.5440068761977306 Energy: 0.4886843185174424 Energy: 0.544006876196931 Energy: 0.4886843185174424 Energy: 0.5542789469178634 Energy: 0.5267987243731831 Energy: 0.5542789469178634 Energy: 0.5267987243731831 Energy: 0.5542789469178634 Energy: 0.5267987243731831 Energy: 0.5550089476457903 Energy: 0.5267722609202464 Energy: 0.5550089476457903 Energy: 0.5267722609202464 Energy: 0.5550089476457903 Energy: 0.5267722609202464 Energy: 0.5447781355411293 Energy: 0.5267173963874764 Energy: 0.5447781355411293 Energy: 0.5267173963874764 Energy: 0.5447781355403296 Energy: 0.5267173963874764 Energy: 0.5039683493341608 Energy: 0.5271622063915883 Energy: 0.5039683493333611 Energy: 0.5271622063915883 Energy: 0.5039683493341608 Energy: 0.5271622063915883 Energy: 0.6326983637089025 Energy: 0.4864989433776568 Energy: 0.6326983637081027 Energy: 0.4864989433776568 Energy: 0.6326983637081027 Energy: 0.4864989433776568 Energy: 0.5029532446183423 Energy: 0.63144119695602 Energy: 0.5029532446183423 Energy: 0.6314411969552202 Energy: 0.5029532446183423 Energy: 0.6314411969552202 Energy: 0.5889666401977313 Energy: 0.4866857165660725 Energy: 0.5889666401977313 Energy: 0.4866857165660725 Energy: 0.5889666401977313 Energy: 0.4866857165660725 Energy: 0.5498800052176628 Energy: 0.5553127801908507 Energy: 0.5498800052184624 Energy: 0.5553127801908507 Energy: 0.5498800052176628 Energy: 0.5553127801908507 Energy: 0.5877694515866175 Energy: 0.5244647259498115 Energy: 0.5877694515874173 Energy: 0.5244647259498115 Energy: 0.5877694515874173 Energy: 0.5244647259498115 Energy: 0.5175430105135715 Energy: 0.5148589482746126 Energy: 0.5175430105143712 Energy: 0.5148589482746126 Energy: 0.5175430105135715 Energy: 0.5148589482746126 Energy: 0.5556483352979428 Energy: 0.5515923349270089 Energy: 0.5556483352979428 Energy: 0.5515923349270089 Energy: 0.5556483352979428 Energy: 0.5515923349270089 Energy: 0.5555119501822211 Energy: 0.5267489869518074 Energy: 0.5555119501814215 Energy: 0.5267489869526072 Energy: 0.5555119501822211 Energy: 0.5267489869526072 Energy: 0.5559047226912012 Energy: 0.5693651286433753 Energy: 0.5559047226912012 Energy: 0.5693651286433753 Energy: 0.5559047226912012 Energy: 0.5693651286433753 Energy: 0.542908153738154 Energy: 0.5291842663465552 Energy: 0.542908153738154 Energy: 0.5291842663465552 Energy: 0.542908153738154 Energy: 0.5291842663465552 minimum gb energy = 0.4864989433776568 eV minimum distance = 2.5723257710889 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.4603135735826258 Energy: 0.46308750800792997 Energy: 0.4603135735831002 Energy: 0.46308750800792997 Energy: 0.46031357358357455 Energy: 0.46308750800792997 Energy: 0.5119576601676837 Energy: 0.5496692074856796 Energy: 0.5119576601653119 Energy: 0.5496692074852053 Energy: 0.5119576601662605 Energy: 0.5496692074852053 Energy: 0.43532276154988014 Energy: 0.5481065300495331 Energy: 0.4353227615494058 Energy: 0.5481065300495331 Energy: 0.4353227615494058 Energy: 0.5481065300500076 Energy: 0.4854768502580796 Energy: 0.43535267768270697 Energy: 0.4854768502585539 Energy: 0.43535267768270697 Energy: 0.4854768502585539 Energy: 0.43535267768270697 Energy: 0.4498518536459827 Energy: 0.45955316193126067 Energy: 0.44985185364645713 Energy: 0.4595531619322094 Energy: 0.44985185364645713 Energy: 0.45955316193126067 Energy: 0.4498265348042558 Energy: 0.4594627499163215 Energy: 0.4498265348042558 Energy: 0.4594627499163215 Energy: 0.4498265348042558 Energy: 0.4594627499163215 Energy: 0.4854842946913011 Energy: 0.4353459976659991 Energy: 0.4854842946908267 Energy: 0.4353459976659991 Energy: 0.4854842946913011 Energy: 0.4353459976659991 Energy: 0.43531363405375206 Energy: 0.5479932342553648 Energy: 0.43531363405375206 Energy: 0.5479932342558391 Energy: 0.43531363405422646 Energy: 0.5479932342558391 Energy: 0.511964277288469 Energy: 0.549579936587194 Energy: 0.5119642772894178 Energy: 0.5495799365876683 Energy: 0.5119642772894178 Energy: 0.549579936587194 Energy: 0.4603135735831002 Energy: 0.46308750800792997 Energy: 0.4603135735831002 Energy: 0.4630875080074557 Energy: 0.4603135735831002 Energy: 0.46308750800792997 Energy: 0.5119576601667349 Energy: 0.5496692074852053 Energy: 0.5119576601681581 Energy: 0.5496692074856796 Energy: 0.5119576601676837 Energy: 0.5496692074847308 Energy: 0.43532276154988014 Energy: 0.5481065300495331 Energy: 0.43532276154988014 Energy: 0.5481065300500076 Energy: 0.4353227615503546 Energy: 0.5481065300495331 Energy: 0.4854768502580796 Energy: 0.43535267768270697 Energy: 0.4854768502585539 Energy: 0.43535267768270697 Energy: 0.4854768502585539 Energy: 0.43535267768270697 Energy: 0.4498518536459827 Energy: 0.45955316193173507 Energy: 0.4498518536459827 Energy: 0.45955316193126067 Energy: 0.44985185364645713 Energy: 0.45955316193078627 Energy: 0.4498265348042558 Energy: 0.4594627499158471 Energy: 0.4498265348042558 Energy: 0.4594627499163215 Energy: 0.44982653480378143 Energy: 0.4594627499163215 Energy: 0.4854842946903523 Energy: 0.4353459976659991 Energy: 0.4854842946913011 Energy: 0.4353459976659991 Energy: 0.4854842946908267 Energy: 0.4353459976659991 Energy: 0.43531363405375206 Energy: 0.5479932342553648 Energy: 0.43531363405375206 Energy: 0.5479932342553648 Energy: 0.4353136340532778 Energy: 0.5479932342553648 Energy: 0.511964277288469 Energy: 0.549579936587194 Energy: 0.5119642772903665 Energy: 0.549579936587194 Energy: 0.5119642772898921 Energy: 0.549579936587194 Energy: 0.4603135735831002 Energy: 0.4630875080074557 Energy: 0.4603135735831002 Energy: 0.46308750800792997 Energy: 0.4603135735831002 Energy: 0.46308750800792997 Energy: 0.5119576601662605 Energy: 0.5496692074852053 Energy: 0.5119576601662605 Energy: 0.5496692074852053 Energy: 0.5119576601667349 Energy: 0.5496692074852053 Energy: 0.4353227615494058 Energy: 0.5481065300495331 Energy: 0.43532276154988014 Energy: 0.5481065300495331 Energy: 0.43532276154988014 Energy: 0.5481065300495331 Energy: 0.4854768502580796 Energy: 0.43535267768270697 Energy: 0.4854768502580796 Energy: 0.43535267768270697 Energy: 0.4854768502580796 Energy: 0.43535267768270697 Energy: 0.4498518536459827 Energy: 0.45955316193173507 Energy: 0.4498518536459827 Energy: 0.45955316193173507 Energy: 0.4498518536459827 Energy: 0.45955316193078627 Energy: 0.4498265348047302 Energy: 0.4594627499163215 Energy: 0.44982653480378143 Energy: 0.4594627499163215 Energy: 0.4498265348042558 Energy: 0.4594627499167958 Energy: 0.4854842946913011 Energy: 0.4353459976659991 Energy: 0.4854842946908267 Energy: 0.43534599766647347 Energy: 0.4854842946913011 Energy: 0.4353459976659991 Energy: 0.43531363405375206 Energy: 0.5479932342553648 Energy: 0.43531363405422646 Energy: 0.5479932342548904 Energy: 0.43531363405375206 Energy: 0.5479932342558391 Energy: 0.511964277288469 Energy: 0.549579936587194 Energy: 0.5119642772898921 Energy: 0.549579936587194 Energy: 0.5119642772875203 Energy: 0.5495799365876683 Energy: 0.4603135735831002 Energy: 0.46308750800792997 Energy: 0.4603135735831002 Energy: 0.46308750800792997 Energy: 0.4603135735831002 Energy: 0.46308750800792997 Energy: 0.5119576601657861 Energy: 0.5496692074852053 Energy: 0.5119576601667349 Energy: 0.5496692074856796 Energy: 0.5119576601657861 Energy: 0.5496692074856796 Energy: 0.43532276154988014 Energy: 0.548106530050482 Energy: 0.43532276154988014 Energy: 0.5481065300500076 Energy: 0.43532276154988014 Energy: 0.5481065300495331 minimum gb energy = 0.4353136340532778 eV minimum distance = 2.58000373533922 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.4585749551614919 Energy: 0.43993722766167603 Energy: 0.4585749551614919 Energy: 0.43993722766167603 Energy: 0.4585749551614919 Energy: 0.43993722766167603 Energy: 0.5245614868291361 Energy: 0.4603340989357382 Energy: 0.5245614868291361 Energy: 0.4603340989357382 Energy: 0.5245614868291361 Energy: 0.4603340989357382 Energy: 0.42144019328063614 Energy: 0.5119094820607942 Energy: 0.42144019328063614 Energy: 0.5119094820619562 Energy: 0.42144019328063614 Energy: 0.5119094820607942 Energy: 0.5067071270121529 Energy: 0.426491627082223 Energy: 0.506707127013315 Energy: 0.426491627082223 Energy: 0.506707127014477 Energy: 0.426491627082223 Energy: 0.5771820934785727 Energy: 0.4262146320843774 Energy: 0.5771820934785727 Energy: 0.4262146320843774 Energy: 0.5771820934785727 Energy: 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Energy: 0.5304840763276252 Energy: 0.4864500225281171 Energy: 0.5304840763264631 Energy: 0.4864500225281171 Energy: 0.5304840763276252 Energy: 0.4864500225281171 minimum gb energy = 0.42144019328063614 eV minimum distance = 2.56422566785174 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.44903545480692936 Energy: 0.43649224469432585 Energy: 0.4490354548085618 Energy: 0.43649224469432585 Energy: 0.4490354548066029 Energy: 0.4364922446946523 Energy: 0.4862279395297466 Energy: 0.41730404795225695 Energy: 0.48622793952648163 Energy: 0.41730404795225695 Energy: 0.48622793952582866 Energy: 0.41730404795225695 Energy: 0.39657711380665983 Energy: 0.44721159968717145 Energy: 0.3965771138056803 Energy: 0.44721159968913043 Energy: 0.3965771138056803 Energy: 0.44721159968749796 Energy: 0.41258573117546254 Energy: 0.39633220810710884 Energy: 0.4125857311774215 Energy: 0.39633220810710884 Energy: 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0.4285507650256715 Energy: 0.43859075247758733 Energy: 0.42230770708221854 Energy: 0.43859075247660784 Energy: 0.42230770708221854 Energy: 0.43859075247726087 Energy: 0.42230770708221854 Energy: 0.4125613243717448 Energy: 0.39650827026297597 Energy: 0.4125613243704389 Energy: 0.39650827026297597 Energy: 0.41256132437141835 Energy: 0.3965082702626495 Energy: 0.39655579746339714 Energy: 0.4472147116137516 Energy: 0.39655579746470315 Energy: 0.44721471161342513 Energy: 0.3965557974627442 Energy: 0.447214711616037 Energy: 0.48607311180464646 Energy: 0.4173341711490982 Energy: 0.48607311180529944 Energy: 0.41733417114942467 Energy: 0.48607311180529944 Energy: 0.41733417114942467 Energy: 0.4490354548066029 Energy: 0.4364922446953053 Energy: 0.4490354548079088 Energy: 0.43649224469563175 Energy: 0.44903545480725576 Energy: 0.4364922446953053 Energy: 0.48622793952844057 Energy: 0.41761358287271017 Energy: 0.4862279395333082 Energy: 0.41761358287271017 Energy: 0.48622793952811416 Energy: 0.41761358287271017 Energy: 0.39657711380241545 Energy: 0.44721159969043633 Energy: 0.3965771138037214 Energy: 0.447211599686192 Energy: 0.3965771138030684 Energy: 0.4472115996878244 Energy: 0.41258573117774794 Energy: 0.3963322081028645 Energy: 0.4125857311780744 Energy: 0.396332208102538 Energy: 0.412585731176442 Energy: 0.396332208102538 Energy: 0.438593330564616 Energy: 0.42237655956196635 Energy: 0.438593330565269 Energy: 0.4223765595622929 Energy: 0.438593330565269 Energy: 0.4223765595622929 minimum gb energy = 0.38423248878351307 eV minimum distance = 2.62947181560265 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.18325576430606094 Energy: 0.18844728753660162 Energy: 0.18325576430680415 Energy: 0.188447287538088 Energy: 0.18325576430606094 Energy: 0.1884472875373448 Energy: 0.2522098742784507 Energy: 0.2656642442806193 Energy: 0.2522098742784507 Energy: 0.2656642442806193 Energy: 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0.25232359088541056 Energy: 0.2551253644866935 Energy: 0.1899126859306409 Energy: 0.18323067045434882 Energy: 0.18991268592915453 Energy: 0.1832306704565784 Energy: 0.1899126859336137 Energy: 0.1832306704573216 Energy: 0.2133111268318342 Energy: 0.24012935073921524 Energy: 0.2133111268325774 Energy: 0.2401293507399584 Energy: 0.2133111268318342 Energy: 0.2401293507399584 Energy: 0.2521804808401565 Energy: 0.2669772742407155 Energy: 0.2521804808401565 Energy: 0.2669772742407155 Energy: 0.2521804808401565 Energy: 0.2669772742407155 Energy: 0.18325576430606094 Energy: 0.1884472875373448 Energy: 0.18325576430606094 Energy: 0.1884472875373448 Energy: 0.18325576430606094 Energy: 0.1884472875373448 Energy: 0.25220987427770747 Energy: 0.2656642442806193 Energy: 0.25220987427770747 Energy: 0.2656642442806193 Energy: 0.2522098742784507 Energy: 0.2656642442806193 Energy: 0.21335412960828284 Energy: 0.2400888716182311 Energy: 0.21335412960753966 Energy: 0.2400888716182311 Energy: 0.21335412960828284 Energy: 0.2400888716182311 Energy: 0.18991698184891365 Energy: 0.18323816490338107 Energy: 0.18991698184891365 Energy: 0.1832381649026379 Energy: 0.18991698185114322 Energy: 0.18323816490189465 Energy: 0.2523763111090085 Energy: 0.2552767531238734 Energy: 0.25237631110826536 Energy: 0.2552767531238734 Energy: 0.25237631110975167 Energy: 0.2552767531238734 Energy: 0.18331508588250597 Energy: 0.21429281050664997 Energy: 0.18331508588399237 Energy: 0.21429281050664997 Energy: 0.18331508588473555 Energy: 0.21429281050664997 Energy: 0.1833233524726001 Energy: 0.21385125690935258 Energy: 0.1833233524711137 Energy: 0.21385125690860943 Energy: 0.1833233524726001 Energy: 0.21385125690935258 Energy: 0.25232359088541056 Energy: 0.25512536448743667 Energy: 0.2523235908846673 Energy: 0.25512536448743667 Energy: 0.2523235908846673 Energy: 0.25512536448743667 minimum gb energy = 0.18323067045434882 eV minimum distance = 2.74451658863325 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.3871706619887493 Energy: 0.4166858781691932 Energy: 0.3871706619882049 Energy: 0.4166858781691932 Energy: 0.3871706619871161 Energy: 0.4166858781691932 Energy: 0.43804721314175166 Energy: 0.4017731446656412 Energy: 0.43804721314175166 Energy: 0.4017731446656412 Energy: 0.43804721314175166 Energy: 0.4017731446656412 Energy: 0.4193605704772458 Energy: 0.4975514745864697 Energy: 0.4193605704761569 Energy: 0.4975514745864697 Energy: 0.4193605704772458 Energy: 0.49755147458592525 Energy: 0.4808500666640981 Energy: 0.33708664103327934 Energy: 0.4808500666640981 Energy: 0.33708664103327934 Energy: 0.4808500666640981 Energy: 0.3370866410311512 Energy: 0.3990890842524207 Energy: 0.32478707919837946 Energy: 0.39908908425187634 Energy: 0.32478707919837946 Energy: 0.3990890842524207 Energy: 0.32478707919837946 Energy: 0.3905175045053833 Energy: 0.4455337179426199 Energy: 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Energy: 0.3260994910642635 Energy: 0.4003014553500353 Energy: 0.3260994910637191 Energy: 0.42447641749864673 Energy: 0.33964644728967375 Energy: 0.4244764174981023 Energy: 0.33964644728967375 Energy: 0.4244764174981023 Energy: 0.33964644728967375 Energy: 0.4498903480689826 Energy: 0.5707459328300549 Energy: 0.4498903480662605 Energy: 0.5707459328300549 Energy: 0.44989034806952705 Energy: 0.5707459328295105 Energy: 0.5328893000650929 Energy: 0.40252706550221684 Energy: 0.532889300064004 Energy: 0.40252706550221684 Energy: 0.5328893000650929 Energy: 0.4025270655016724 Energy: 0.35816613991600366 Energy: 0.41583264912994994 Energy: 0.35816613991600366 Energy: 0.4158326491294056 Energy: 0.35816613991600366 Energy: 0.41583264912994994 Energy: 0.37138309084405724 Energy: 0.40064385393945673 Energy: 0.37138309084405724 Energy: 0.40064385393945673 Energy: 0.3713830908446017 Energy: 0.40064385393945673 Energy: 0.520295653511776 Energy: 0.4166025358536885 Energy: 0.5202956535106873 Energy: 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Energy: 0.40655677510203675 Energy: 0.6531719918043714 Energy: 0.40655677510117855 Energy: 0.6531719918043714 Energy: 0.4164477957357157 Energy: 0.3574313395394502 Energy: 0.41644779573528656 Energy: 0.3574313395390212 Energy: 0.4164477957348575 Energy: 0.3574313395394502 Energy: 0.34456972674529135 Energy: 0.3807284430828645 Energy: 0.3445697267444332 Energy: 0.3807284430828645 Energy: 0.34456972674529135 Energy: 0.3807284430828645 Energy: 0.4434143063641108 Energy: 0.4352882315709398 Energy: 0.44341430636453993 Energy: 0.4352882315709398 Energy: 0.4434143063641108 Energy: 0.4352882315709398 Energy: 0.3515573519087477 Energy: 0.5068860549496361 Energy: 0.3515573519087477 Energy: 0.506886054949207 Energy: 0.3515573519087477 Energy: 0.506886054949207 Energy: 0.3428072724824479 Energy: 0.3575062491907043 Energy: 0.3428072724824479 Energy: 0.3575062491911334 Energy: 0.342807272482877 Energy: 0.3575062491911334 Energy: 0.35121414443494614 Energy: 0.37327706501488445 Energy: 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Energy: 0.3737794826048565 Energy: 0.3872832539787264 Energy: 0.3737794826012429 Energy: 0.36519298651403465 Energy: 0.5249834156267578 Energy: 0.3651929865131312 Energy: 0.5249834156267578 Energy: 0.3651929865131312 Energy: 0.5249834156264566 Energy: 0.3774244390760227 Energy: 0.3594779083825 Energy: 0.37742443907632384 Energy: 0.3594779083831023 Energy: 0.3774244390760227 Energy: 0.3594779083825 Energy: 0.3667871448935009 Energy: 0.4810785492757305 Energy: 0.3667871448944043 Energy: 0.4810785492760316 Energy: 0.3667871448935009 Energy: 0.481078549278742 Energy: 0.47740235071701 Energy: 0.37413203014078933 Energy: 0.4774023507176122 Energy: 0.3741320301410905 Energy: 0.47740235071731113 Energy: 0.3741320301410905 Energy: 0.39379707617792326 Energy: 0.398357567216648 Energy: 0.39379707617792326 Energy: 0.39835756721604576 Energy: 0.3937970761776221 Energy: 0.398357567216648 Energy: 0.3938817955305838 Energy: 0.39857786069139867 Energy: 0.39388179553148717 Energy: 0.3985778606916999 Energy: 0.3938817955317883 Energy: 0.398577860692001 Energy: 0.4777861678005156 Energy: 0.37413140470476186 Energy: 0.47778616780141897 Energy: 0.3741314047038585 Energy: 0.4777861678005156 Energy: 0.37413140470325623 Energy: 0.3669366619725632 Energy: 0.48116702303452075 Energy: 0.36693666197406893 Energy: 0.481167023037231 Energy: 0.36693666197286434 Energy: 0.481167023037231 Energy: 0.37757799001314396 Energy: 0.3593060988441872 Energy: 0.37757799001314396 Energy: 0.35930609884448833 Energy: 0.3775779900134451 Energy: 0.35930609884448833 Energy: 0.3650730080750056 Energy: 0.5249845239133089 Energy: 0.3650730080731987 Energy: 0.5249845239127066 Energy: 0.36507300807440335 Energy: 0.5249845239133089 Energy: 0.38729162064127814 Energy: 0.3739538261997549 Energy: 0.38729162064067585 Energy: 0.37395382619734585 Energy: 0.38729162064127814 Energy: 0.37395382619644235 Energy: 0.40583172301942794 Energy: 0.36700052816346057 Energy: 0.40583172301822334 Energy: 0.3670005281640628 Energy: 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Energy: 0.4836307065500113 Energy: 0.4546111892934944 Energy: 0.4836307065490878 Energy: 0.45461118929395616 Energy: 0.48363070654954954 Energy: 0.45461118929395616 Energy: 0.43125508223220754 Energy: 0.4192577043872491 Energy: 0.43125508223174586 Energy: 0.4192577043946366 Energy: 0.4312550822312841 Energy: 0.4192577043946366 Energy: 0.4916249226118222 Energy: 0.44709795297194643 Energy: 0.4916249226122839 Energy: 0.4470979529724081 Energy: 0.4916249226118222 Energy: 0.4470979529724081 Energy: 0.4370279469252145 Energy: 0.4769190574627908 Energy: 0.4370279469252145 Energy: 0.4769190574627908 Energy: 0.4370279469256763 Energy: 0.4769190574627908 Energy: 0.4617137134184429 Energy: 0.46254255442116604 Energy: 0.46171371341798123 Energy: 0.46254255442162767 Energy: 0.46171371341798123 Energy: 0.46254255442116604 Energy: 0.43289227472936503 Energy: 0.45174623123893054 Energy: 0.43289227472936503 Energy: 0.45174623123893054 Energy: 0.43289227473028846 Energy: 0.4517462312384688 minimum gb energy = 0.40747000584276566 eV minimum distance = 2.64951236374283 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.47624066193842135 Energy: 0.41020787140780274 Energy: 0.47624066193961706 Energy: 0.41020787140780274 Energy: 0.47624066193782355 Energy: 0.41020787140780274 Energy: 0.4400950179490871 Energy: 0.38810123382203704 Energy: 0.4400950179496849 Energy: 0.38810123382323275 Energy: 0.4400950179496849 Energy: 0.38810123382203704 Energy: 0.44553991170282703 Energy: 0.49663851666361647 Energy: 0.44553991170222923 Energy: 0.49663851666361647 Energy: 0.44553991170163143 Energy: 0.4966385166630186 Energy: 0.4350682047735009 Energy: 0.4523949469457896 Energy: 0.4350682047735009 Energy: 0.4523949469457896 Energy: 0.4350682047723051 Energy: 0.4523949469457896 Energy: 0.43081500587032956 Energy: 0.45220729124052933 Energy: 0.43081500587209587 Energy: 0.45220729124052933 Energy: 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Energy: 0.2923296946576795 Energy: 0.3379841029999731 Energy: 0.29232969465690484 Energy: 0.3379841029999731 Energy: 0.2923296946565175 Energy: 0.3379841029999731 Energy: 0.3025424065701034 Energy: 0.30982840196661465 Energy: 0.3025424065701034 Energy: 0.30982840196622735 Energy: 0.30254240657087805 Energy: 0.30982840196661465 Energy: 0.3013794321671493 Energy: 0.38150507535785144 Energy: 0.3013794321675366 Energy: 0.38150507535823874 Energy: 0.30137943216676194 Energy: 0.38150507535785144 Energy: 0.2924542564307921 Energy: 0.42375660015344085 Energy: 0.2924542564307921 Energy: 0.4237566001530536 Energy: 0.2924542564307921 Energy: 0.42375660015344085 Energy: 0.3028456545505922 Energy: 0.2991372169320158 Energy: 0.3028456545509795 Energy: 0.2991372169320158 Energy: 0.3028456545505922 Energy: 0.2991372169316284 Energy: 0.29216564985800936 Energy: 0.33889069184027476 Energy: 0.2921656498595587 Energy: 0.33889069184066206 Energy: 0.29216564985800936 Energy: 0.3388906918410494 Energy: 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Energy: 0.3124993702684637 Energy: 0.29968560758633245 Energy: 0.3124993702680378 Energy: 0.29968560758590657 Energy: 0.309495006738487 Energy: 0.29358709797817867 Energy: 0.3094950067380612 Energy: 0.29358709797817867 Energy: 0.309495006738487 Energy: 0.29358709797817867 Energy: 0.2997552929917192 Energy: 0.3027020586040887 Energy: 0.2997552929908675 Energy: 0.3027020586040887 Energy: 0.2997552929908675 Energy: 0.3027020586040887 Energy: 0.3049678032646494 Energy: 0.2541595157717822 Energy: 0.30496780326550116 Energy: 0.2541595157730598 Energy: 0.3049678032646494 Energy: 0.2541595157781703 Energy: 0.31061996653467455 Energy: 0.30690628538430637 Energy: 0.3106199665338228 Energy: 0.30690628538430637 Energy: 0.3106199665333969 Energy: 0.30690628538388054 Energy: 0.2994311884203173 Energy: 0.3113694244589678 Energy: 0.29943118841989147 Energy: 0.311369424458542 Energy: 0.2994311884203173 Energy: 0.311369424458542 Energy: 0.3504910363785165 Energy: 0.2523978001071526 Energy: 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0.34587269600240783 Energy: 0.4080604425236657 Energy: 0.34587269600240783 Energy: 0.4080604425236657 Energy: 0.34587269600180104 Energy: 0.4080604425236657 minimum gb energy = 0.3207228198677523 eV minimum distance = 2.66968193875407 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.46221442330451856 Energy: 0.3954857785364022 Energy: 0.4622144233049035 Energy: 0.3954857785364022 Energy: 0.46221442330451856 Energy: 0.3954857785364022 Energy: 0.40448690133116016 Energy: 0.4176791428525151 Energy: 0.4044869013319301 Energy: 0.4176791428525151 Energy: 0.40448690133116016 Energy: 0.4176791428525151 Energy: 0.43738183518658275 Energy: 0.43977966760081355 Energy: 0.4373818351861978 Energy: 0.43977966760081355 Energy: 0.43738183518542795 Energy: 0.43977966760081355 Energy: 0.4408094622129048 Energy: 0.4021942104863791 Energy: 0.44080946221328976 Energy: 0.4021942104863791 Energy: 0.4408094622125199 Energy: 0.4021942104863791 Energy: 0.4097958065431952 Energy: 0.4158244589316993 Energy: 0.4097958065428103 Energy: 0.4158244589309294 Energy: 0.4097958065416554 Energy: 0.41582445893131437 Energy: 0.46770712956879246 Energy: 0.4516453269397064 Energy: 0.4677071295672526 Energy: 0.4516453269397064 Energy: 0.46770712956840754 Energy: 0.4516453269397064 Energy: 0.4049911733164045 Energy: 0.38734742482195167 Energy: 0.4049911733156345 Energy: 0.38734742482195167 Energy: 0.4049911733156345 Energy: 0.38734742482195167 Energy: 0.40304268250347713 Energy: 0.4380014906544486 Energy: 0.4030426825042471 Energy: 0.4380014906544486 Energy: 0.40304268250270725 Energy: 0.4380014906544486 Energy: 0.41136867163622837 Energy: 0.4401525698582585 Energy: 0.41136867163507357 Energy: 0.4401525698582585 Energy: 0.4113686716354585 Energy: 0.4401525698582585 Energy: 0.43305108261740777 Energy: 0.4151437148932747 Energy: 0.43305108261740777 Energy: 0.4151437148928897 Energy: 0.43305108261817776 Energy: 0.4151437148932747 Energy: 0.4201903980722118 Energy: 0.43691517234637006 Energy: 0.4201903980725968 Energy: 0.43691517234637006 Energy: 0.4201903980725968 Energy: 0.43691517234675503 Energy: 0.40746397440372073 Energy: 0.409967116420528 Energy: 0.40746397440410576 Energy: 0.409967116420528 Energy: 0.40746397440333576 Energy: 0.409967116420528 Energy: 0.45976425185543307 Energy: 0.41616607287345736 Energy: 0.45976425185389325 Energy: 0.41616607287345736 Energy: 0.4597642518550481 Energy: 0.41616607287307233 Energy: 0.4126158327092906 Energy: 0.43601035205249405 Energy: 0.41261583270813573 Energy: 0.43601035205249405 Energy: 0.4126158327089056 Energy: 0.43601035205249405 Energy: 0.42365711553562724 Energy: 0.4163946130894438 Energy: 0.42365711553485735 Energy: 0.4163946130894438 Energy: 0.42365711553485735 Energy: 0.4163946130894438 Energy: 0.4407418886140023 Energy: 0.44000131940968956 Energy: 0.44074188861323244 Energy: 0.44000131940968956 Energy: 0.44074188861438723 Energy: 0.44000131940968956 Energy: 0.36918968724081597 Energy: 0.44337248091980414 Energy: 0.3691896872396611 Energy: 0.44337248091980414 Energy: 0.36918968723927614 Energy: 0.44337248091980414 Energy: 0.44968169039264566 Energy: 0.44686272736187066 Energy: 0.44968169039303063 Energy: 0.44686272736187066 Energy: 0.44968169039303063 Energy: 0.44686272736187066 Energy: 0.4061270528513762 Energy: 0.4451107605958456 Energy: 0.40612705285214606 Energy: 0.4451107605958456 Energy: 0.40612705285214606 Energy: 0.4451107605962305 Energy: 0.45743249198467667 Energy: 0.41750531457314205 Energy: 0.45743249198429176 Energy: 0.41750531457314205 Energy: 0.45743249198544667 Energy: 0.41750531457314205 Energy: 0.442033263442747 Energy: 0.4400374350337588 Energy: 0.442033263441977 Energy: 0.4400374350341438 Energy: 0.442033263442362 Energy: 0.4400374350337588 Energy: 0.4258539104794816 Energy: 0.39916432832307114 Energy: 0.4258539104794816 Energy: 0.39916432832345605 Energy: 0.4258539104794816 Energy: 0.39916432832345605 Energy: 0.4202085528768575 Energy: 0.4365526220932768 Energy: 0.4202085528772424 Energy: 0.4365526220928918 Energy: 0.4202085528768575 Energy: 0.4365526220925068 Energy: 0.44355730418205075 Energy: 0.40965614777187515 Energy: 0.44355730418243566 Energy: 0.40965614777187515 Energy: 0.44355730418243566 Energy: 0.40965614777187515 Energy: 0.40463682145698504 Energy: 0.4095797497030443 Energy: 0.40463682145583013 Energy: 0.4095797497030443 Energy: 0.40463682145737 Energy: 0.4095797497030443 Energy: 0.42654905127869097 Energy: 0.44028393084338985 Energy: 0.4265490512798458 Energy: 0.44028393084338985 Energy: 0.42654905127907594 Energy: 0.4402839308437749 Energy: 0.40476866572643055 Energy: 0.3986197029086657 Energy: 0.40476866572643055 Energy: 0.3986197029086657 Energy: 0.40476866572681547 Energy: 0.3986197029086657 Energy: 0.44778506492983916 Energy: 0.46881060615441505 Energy: 0.4477850649302241 Energy: 0.46881060615441505 Energy: 0.4477850649290692 Energy: 0.46881060615441505 Energy: 0.45952359339072524 Energy: 0.41592716582191563 Energy: 0.4595235933899554 Energy: 0.41592716582191563 Energy: 0.45952359338957044 Energy: 0.4159271658223006 Energy: 0.40351789157368495 Energy: 0.3855950345725126 Energy: 0.40351789157330004 Energy: 0.3855950345725126 Energy: 0.40351789157407 Energy: 0.3855950345725126 Energy: 0.46777564913014824 Energy: 0.46249986638267565 Energy: 0.46777564912976327 Energy: 0.46249986638267565 Energy: 0.46777564913014824 Energy: 0.46249986638267565 Energy: 0.3791730692473029 Energy: 0.4173601237404877 Energy: 0.3791730692469179 Energy: 0.4173601237404877 Energy: 0.3791730692473029 Energy: 0.4173601237404877 Energy: 0.4404491229239434 Energy: 0.45689536506675954 Energy: 0.4404491229239434 Energy: 0.45689536506675954 Energy: 0.4404491229239434 Energy: 0.45689536506675954 Energy: 0.4228616380433988 Energy: 0.4183277349904299 Energy: 0.4228616380433988 Energy: 0.4183277349908149 Energy: 0.4228616380430139 Energy: 0.4183277349904299 Energy: 0.409154935996286 Energy: 0.44009821487386663 Energy: 0.4091549359955161 Energy: 0.44009821487425155 Energy: 0.409154935996286 Energy: 0.44009821487425155 Energy: 0.4612918340816499 Energy: 0.39651248895554836 Energy: 0.46129183408241986 Energy: 0.39651248895554836 Energy: 0.4612918340816499 Energy: 0.39651248895554836 Energy: 0.40563591227321305 Energy: 0.4162959251431993 Energy: 0.40563591227167334 Energy: 0.41629592514358427 Energy: 0.40563591227282814 Energy: 0.4162959251431993 minimum gb energy = 0.36918968723927614 eV minimum distance = 2.6424485236821 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5110301585182786 Energy: 0.4669129211763894 Energy: 0.5110301585182786 Energy: 0.4669129211763894 Energy: 0.5110301585182786 Energy: 0.4669129211763894 Energy: 0.4604265244093275 Energy: 0.4916891392550057 Energy: 0.4604265244093275 Energy: 0.4916891392550057 Energy: 0.4604265244093275 Energy: 0.4916891392550057 Energy: 0.5038904607347143 Energy: 0.495621636437298 Energy: 0.5038904607336633 Energy: 0.49562163643624696 Energy: 0.5038904607336633 Energy: 0.495621636437298 Energy: 0.4989209023534633 Energy: 0.5110353930053114 Energy: 0.4989209023534633 Energy: 0.5110353930053114 Energy: 0.4989209023534633 Energy: 0.5110353930053114 Energy: 0.45129777778560537 Energy: 0.4777028835443455 Energy: 0.45129777778455427 Energy: 0.4777028835443455 Energy: 0.45129777778455427 Energy: 0.4777028835443455 Energy: 0.5320105604262492 Energy: 0.5125467163318574 Energy: 0.5320105604262492 Energy: 0.5125467163329085 Energy: 0.5320105604272765 Energy: 0.5125467163329085 Energy: 0.50600790128551 Energy: 0.4539006223350242 Energy: 0.50600790128551 Energy: 0.4539006223350242 Energy: 0.50600790128551 Energy: 0.4539006223350242 Energy: 0.4960426162898545 Energy: 0.49379765179911805 Energy: 0.4960426162898545 Energy: 0.49379765179911805 Energy: 0.4960426162898545 Energy: 0.49379765179911805 Energy: 0.46240277387658757 Energy: 0.4634989730824219 Energy: 0.46240277387658757 Energy: 0.4634989730824219 Energy: 0.46240277387658757 Energy: 0.4634989730824219 Energy: 0.516108516668813 Energy: 0.4759697952822118 Energy: 0.516108516668813 Energy: 0.4759697952822118 Energy: 0.516108516668813 Energy: 0.4759697952822118 Energy: 0.4621352989742024 Energy: 0.4954243153194145 Energy: 0.4621352989742024 Energy: 0.4954243153194145 Energy: 0.4621352989742024 Energy: 0.4954243153194145 Energy: 0.4926548173488502 Energy: 0.4910219943111911 Energy: 0.4926548173488502 Energy: 0.4910219943111911 Energy: 0.4926548173488502 Energy: 0.4910219943111911 Energy: 0.5077397566556001 Energy: 0.5094590543859311 Energy: 0.5077397566556001 Energy: 0.5094590543859311 Energy: 0.5077397566556001 Energy: 0.5094590543859311 Energy: 0.4540006971537215 Energy: 0.483293597196611 Energy: 0.4540006971526705 Energy: 0.483293597197662 Energy: 0.4540006971526705 Energy: 0.483293597196611 minimum gb energy = 0.45129777778455427 eV minimum distance = 2.61927565389289 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.5818625666063888 Energy: 0.5550403028105857 Energy: 0.5818625666063888 Energy: 0.5550403028105857 Energy: 0.5818625666059271 Energy: 0.5550403028105857 Energy: 0.5003937608711895 Energy: 0.5481265433631328 Energy: 0.5003937608707277 Energy: 0.5481265433631328 Energy: 0.5003937608711895 Energy: 0.5481265433631328 Energy: 0.5412968710986629 Energy: 0.5387319010467179 Energy: 0.541296871098201 Energy: 0.5387319010467179 Energy: 0.5412968710986629 Energy: 0.5387319010467179 Energy: 0.5427984046067945 Energy: 0.5046508490665674 Energy: 0.5427984046067945 Energy: 0.5046508490665674 Energy: 0.5427984046058709 Energy: 0.5046508490665674 Energy: 0.5486853710269927 Energy: 0.5375685662380384 Energy: 0.5486853710274545 Energy: 0.5375685662380384 Energy: 0.5486853710274545 Energy: 0.5375685662380384 Energy: 0.5246522844812942 Energy: 0.5514815115341167 Energy: 0.5246522844812942 Energy: 0.5514815115341167 Energy: 0.5246522844817559 Energy: 0.5514815115341167 Energy: 0.5458216172242619 Energy: 0.531425014444944 Energy: 0.5458216172242619 Energy: 0.531425014444944 Energy: 0.5458216172242619 Energy: 0.531425014444944 Energy: 0.52885400110698 Energy: 0.5473565675644366 Energy: 0.5288540011074419 Energy: 0.5473565675644366 Energy: 0.5288540011074419 Energy: 0.547356567563975 Energy: 0.5374379256292168 Energy: 0.5319798531387243 Energy: 0.5374379256292168 Energy: 0.5319798531387243 Energy: 0.5374379256296784 Energy: 0.5319798531382626 Energy: 0.534615514233479 Energy: 0.5364823358294502 Energy: 0.534615514233479 Energy: 0.5364823358294502 Energy: 0.5346155142325555 Energy: 0.5364823358294502 Energy: 0.5107385207454457 Energy: 0.5473712146967434 Energy: 0.510738520746369 Energy: 0.5473712146967434 Energy: 0.5107385207459074 Energy: 0.5473712146967434 Energy: 0.5399617113086037 Energy: 0.559769503977491 Energy: 0.5399617113090655 Energy: 0.559769503977491 Energy: 0.5399617113086037 Energy: 0.559769503977491 Energy: 0.5452291775525749 Energy: 0.519599693943306 Energy: 0.5452291775525749 Energy: 0.5195996939437677 Energy: 0.5452291775521132 Energy: 0.519599693943306 Energy: 0.5267389182607862 Energy: 0.546275016523936 Energy: 0.5267389182607862 Energy: 0.546275016523936 Energy: 0.5267389182598627 Energy: 0.546275016523936 Energy: 0.4991912609622304 Energy: 0.5271059067332621 Energy: 0.4991912609613069 Energy: 0.5271059067332621 Energy: 0.499191260962692 Energy: 0.5271059067332621 Energy: 0.5430015061911351 Energy: 0.5311132765377992 Energy: 0.5430015061915969 Energy: 0.5311132765377992 Energy: 0.5430015061911351 Energy: 0.5311132765377992 Energy: 0.5097160321101631 Energy: 0.540383410500756 Energy: 0.5097160321106248 Energy: 0.5403834105012177 Energy: 0.5097160321097013 Energy: 0.540383410500756 Energy: 0.5612494289004339 Energy: 0.5580667786755056 Energy: 0.5612494289004339 Energy: 0.5580667786755056 Energy: 0.5612494289004339 Energy: 0.5580667786755056 Energy: 0.5247619723127691 Energy: 0.49380969068451386 Energy: 0.5247619723136926 Energy: 0.49380969068451386 Energy: 0.5247619723127691 Energy: 0.49380969068451386 Energy: 0.5352590044861576 Energy: 0.5379495445750554 Energy: 0.5352590044861576 Energy: 0.5379495445745938 Energy: 0.5352590044861576 Energy: 0.5379495445750554 Energy: 0.5058262115407531 Energy: 0.5187623048829854 Energy: 0.5058262115412149 Energy: 0.5187623048829854 Energy: 0.5058262115412149 Energy: 0.5187623048829854 Energy: 0.5606098707800491 Energy: 0.5612069298307004 Energy: 0.5606098707786639 Energy: 0.5612069298311622 Energy: 0.5606098707795875 Energy: 0.5612069298311622 Energy: 0.5141500304725262 Energy: 0.5390442290497032 Energy: 0.514150030472988 Energy: 0.5390442290497032 Energy: 0.514150030472988 Energy: 0.5390442290497032 Energy: 0.5598694337927547 Energy: 0.5480310393714216 Energy: 0.5598694337927547 Energy: 0.5480310393714216 Energy: 0.5598694337927547 Energy: 0.5480310393714216 Energy: 0.5319725641061761 Energy: 0.5298655059613033 Energy: 0.5319725641061761 Energy: 0.5298655059613033 Energy: 0.5319725641061761 Energy: 0.5298655059613033 Energy: 0.5167199720361839 Energy: 0.538246852351493 Energy: 0.5167199720366458 Energy: 0.538246852351493 Energy: 0.5167199720366458 Energy: 0.538246852351493 Energy: 0.5239497339607303 Energy: 0.5499992585563155 Energy: 0.5239497339607303 Energy: 0.5499992585563155 Energy: 0.5239497339607303 Energy: 0.5499992585563155 Energy: 0.5441352139751174 Energy: 0.5175909013802461 Energy: 0.5441352139765026 Energy: 0.5175909013802461 Energy: 0.5441352139755792 Energy: 0.5175909013802461 Energy: 0.5269408983095354 Energy: 0.5464171631246499 Energy: 0.5269408983095354 Energy: 0.5464171631246499 Energy: 0.5269408983095354 Energy: 0.5464171631246499 Energy: 0.5207167124490514 Energy: 0.4960622326647903 Energy: 0.5207167124490514 Energy: 0.4960622326647903 Energy: 0.5207167124495131 Energy: 0.4960622326647903 Energy: 0.5367463446549493 Energy: 0.5573653443923137 Energy: 0.536746344655411 Energy: 0.5573653443923137 Energy: 0.536746344655411 Energy: 0.5573653443923137 minimum gb energy = 0.49380969068451386 eV minimum distance = 2.57003566052984 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.5104219209737328 Energy: 0.4813880859616943 Energy: 0.5104219209737328 Energy: 0.4813880859616943 Energy: 0.5104219209737328 Energy: 0.4813880859616943 Energy: 0.5387039351563367 Energy: 0.5552609463297068 Energy: 0.5387039351555152 Energy: 0.5552609463297068 Energy: 0.5387039351563367 Energy: 0.5552609463305284 Energy: 0.547022925686627 Energy: 0.5289452766868492 Energy: 0.547022925686627 Energy: 0.5289452766868492 Energy: 0.5470229256858055 Energy: 0.5289452766868492 Energy: 0.5085349244309766 Energy: 0.5737823977581176 Energy: 0.5085349244317982 Energy: 0.5737823977581176 Energy: 0.5085349244317982 Energy: 0.5737823977581176 Energy: 0.5470601937305938 Energy: 0.52896391102297 Energy: 0.5470601937297722 Energy: 0.52896391102297 Energy: 0.5470601937297722 Energy: 0.52896391102297 Energy: 0.5387435623412721 Energy: 0.5410764759420968 Energy: 0.5387435623412721 Energy: 0.5410764759420968 Energy: 0.5387435623412721 Energy: 0.5410764759429185 Energy: 0.5104219209720896 Energy: 0.4813880859608726 Energy: 0.5104219209720896 Energy: 0.4813880859608726 Energy: 0.5104219209720896 Energy: 0.4813880859608726 Energy: 0.5387039351571585 Energy: 0.5552609463297068 Energy: 0.5387039351563367 Energy: 0.5552609463297068 Energy: 0.5387039351571585 Energy: 0.5552609463297068 Energy: 0.5470229256874487 Energy: 0.5289452766884924 Energy: 0.5470229256882704 Energy: 0.5289452766884924 Energy: 0.5470229256874487 Energy: 0.5289452766884924 Energy: 0.5085349244342632 Energy: 0.5254743660182218 Energy: 0.5085349244342632 Energy: 0.5254743660182218 Energy: 0.5085349244342632 Energy: 0.5254743660182218 Energy: 0.5470601937289505 Energy: 0.52896391102297 Energy: 0.5470601937297722 Energy: 0.52896391102297 Energy: 0.5470601937289505 Energy: 0.52896391102297 Energy: 0.5387435623404504 Energy: 0.49282404048125084 Energy: 0.5387435623412721 Energy: 0.4928240404820538 Energy: 0.5387435623404504 Energy: 0.4928240404820538 Energy: 0.5104219209737328 Energy: 0.4813880859616943 Energy: 0.5104219209737328 Energy: 0.4813880859616943 Energy: 0.5104219209737328 Energy: 0.4813880859616943 Energy: 0.5387039351563367 Energy: 0.5552609463297068 Energy: 0.5387039351555152 Energy: 0.5552609463305284 Energy: 0.5387039351563367 Energy: 0.5552609463305284 Energy: 0.547022925686627 Energy: 0.5289452766868492 Energy: 0.5470229256858055 Energy: 0.5289452766868492 Energy: 0.547022925686627 Energy: 0.5289452766868492 Energy: 0.5085349244317982 Energy: 0.4748076154594371 Energy: 0.5085349244326198 Energy: 0.47480761545861544 Energy: 0.5085349244317982 Energy: 0.47480761545861544 Energy: 0.5470601937248425 Energy: 0.52896391102297 Energy: 0.5470601937256641 Energy: 0.52896391102297 Energy: 0.5470601937248425 Energy: 0.52896391102297 minimum gb energy = 0.47480761545861544 eV minimum distance = 2.63251451508382 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5569209640381728 Energy: 0.5724634170339582 Energy: 0.5569209640381728 Energy: 0.5724634170339582 Energy: 0.556920964037502 Energy: 0.5724634170339582 Energy: 0.5403377860142885 Energy: 0.5431060845966245 Energy: 0.5403377860136176 Energy: 0.5431060845966245 Energy: 0.5403377860136176 Energy: 0.5431060845966245 Energy: 0.5356061239828235 Energy: 0.5387178865363266 Energy: 0.5356061239828235 Energy: 0.5387178865363266 Energy: 0.5356061239834944 Energy: 0.5387178865363266 Energy: 0.5341845456678073 Energy: 0.5727115746290056 Energy: 0.5341845456678073 Energy: 0.5727115746290056 Energy: 0.5341845456684781 Energy: 0.5727115746290056 Energy: 0.5386650581094644 Energy: 0.5471788820669197 Energy: 0.5386650581081227 Energy: 0.5471788820669197 Energy: 0.5386650581094644 Energy: 0.5471788820669197 Energy: 0.5427653967318007 Energy: 0.542608642278659 Energy: 0.5427653967311299 Energy: 0.542608642278659 Energy: 0.5427653967318007 Energy: 0.542608642278659 Energy: 0.5340060492561131 Energy: 0.5418136528824256 Energy: 0.5340060492547712 Energy: 0.5418136528817548 Energy: 0.5340060492554422 Energy: 0.5418136528817548 Energy: 0.5352513260300854 Energy: 0.5510671642435816 Energy: 0.5352513260307563 Energy: 0.5510671642435816 Energy: 0.5352513260300854 Energy: 0.5510671642435816 Energy: 0.5693988560139001 Energy: 0.5591954482529725 Energy: 0.5693988560139001 Energy: 0.5591954482529725 Energy: 0.5693988560132291 Energy: 0.5591954482536433 Energy: 0.535119086026447 Energy: 0.544592297856361 Energy: 0.535119086026447 Energy: 0.544592297856361 Energy: 0.535119086026447 Energy: 0.544592297856361 Energy: 0.5312087160307442 Energy: 0.5390080540300949 Energy: 0.5312087160300734 Energy: 0.539008054029424 Energy: 0.5312087160307442 Energy: 0.5390080540300949 Energy: 0.5638624904247959 Energy: 0.5437161937976482 Energy: 0.563862490424125 Energy: 0.5437161937976482 Energy: 0.5638624904247959 Energy: 0.5437161937976482 Energy: 0.5330000551573318 Energy: 0.5489324346938906 Energy: 0.5330000551573318 Energy: 0.5489324346938906 Energy: 0.5330000551580026 Energy: 0.5489324346938906 Energy: 0.5358591326685116 Energy: 0.53510971887939 Energy: 0.5358591326685116 Energy: 0.53510971887939 Energy: 0.5358591326678407 Energy: 0.53510971887939 Energy: 0.5412923467810861 Energy: 0.5391676595202999 Energy: 0.541292346780415 Energy: 0.5391676595202999 Energy: 0.541292346780415 Energy: 0.5391676595202999 Energy: 0.561302677976439 Energy: 0.5628537040256196 Energy: 0.561302677976439 Energy: 0.5628537040256196 Energy: 0.561302677976439 Energy: 0.5628537040256196 Energy: 0.5570071134212057 Energy: 0.5383385357203483 Energy: 0.5570071134218765 Energy: 0.5383385357203483 Energy: 0.5570071134205347 Energy: 0.5383385357203483 Energy: 0.5913433343945601 Energy: 0.549911557460005 Energy: 0.5913433343938892 Energy: 0.549911557460005 Energy: 0.5913433343938892 Energy: 0.549911557460005 Energy: 0.5314744010233898 Energy: 0.5368592524049567 Energy: 0.531474401022719 Energy: 0.5368592524042859 Energy: 0.5314744010233898 Energy: 0.5368592524042859 Energy: 0.5609373879823932 Energy: 0.548085575292275 Energy: 0.5609373879817223 Energy: 0.548085575292275 Energy: 0.5609373879823932 Energy: 0.548085575292275 Energy: 0.5647559435145706 Energy: 0.5502233655074058 Energy: 0.5647559435138997 Energy: 0.5502233655074058 Energy: 0.5647559435138997 Energy: 0.5502233655074058 minimum gb energy = 0.5312087160300734 eV minimum distance = 2.59107950623755 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.5769477068681321 Energy: 0.5308217211169303 Energy: 0.5633233082461147 Energy: 0.5308217211101444 Energy: 0.5769477068681321 Energy: 0.530821721115234 Energy: 0.5663433815891228 Energy: 0.5388351792035361 Energy: 0.5663433815885572 Energy: 0.5388351792035361 Energy: 0.5663433815891228 Energy: 0.5388351792052324 Energy: 0.5205031312982963 Energy: 0.531496167194963 Energy: 0.5205031313005583 Energy: 0.531496167194963 Energy: 0.5205031312982963 Energy: 0.5314961671943975 Energy: 0.5207138477211124 Energy: 0.5535725813975172 Energy: 0.5207138477199814 Energy: 0.5535725813975172 Energy: 0.5207138477211124 Energy: 0.5535725813986482 Energy: 0.5148687171062402 Energy: 0.5419569739566552 Energy: 0.5148687171073713 Energy: 0.5419569739566552 Energy: 0.5148687171062402 Energy: 0.5419569739572206 Energy: 0.5413435361521671 Energy: 0.5662392439426609 Energy: 0.5413435361516016 Energy: 0.5662392439426609 Energy: 0.5413435361521671 Energy: 0.5662392439415299 Energy: 0.5298203209608171 Energy: 0.5553968999856356 Energy: 0.5298203209613827 Energy: 0.5553968999856356 Energy: 0.5298203209608171 Energy: 0.5553968999884631 Energy: 0.576014041012784 Energy: 0.5208840539591654 Energy: 0.5760140410144805 Energy: 0.5208840539591654 Energy: 0.576014041012784 Energy: 0.5208840539574688 Energy: 0.5780691232808252 Energy: 0.5227680462824315 Energy: 0.5780362506496064 Energy: 0.5227680462824315 Energy: 0.5780691232808252 Energy: 0.5227680462875208 Energy: 0.5701852116244128 Energy: 0.5455904608177168 Energy: 0.5702467549989414 Energy: 0.5455904608182822 Energy: 0.5701852116244128 Energy: 0.5455904608188478 Energy: 0.5592957456841102 Energy: 0.5544211797909774 Energy: 0.5593247670943245 Energy: 0.5544211797909774 Energy: 0.5592957456846757 Energy: 0.5544211797892808 Energy: 0.5548663755317325 Energy: 0.5234311079559396 Energy: 0.5548663755351254 Energy: 0.5234311079559396 Energy: 0.5548663755317325 Energy: 0.5234311079548086 Energy: 0.5392599375674317 Energy: 0.5671641674095156 Energy: 0.5392599375691282 Energy: 0.5671641674100809 Energy: 0.5392599375674317 Energy: 0.56716416740895 Energy: 0.5203276596226323 Energy: 0.5221938960466573 Energy: 0.5203276596248942 Energy: 0.5221938960460919 Energy: 0.5203276596226323 Energy: 0.5221938960443954 Energy: 0.5466843689000158 Energy: 0.5661105265957896 Energy: 0.5467743801269441 Energy: 0.5661105265957896 Energy: 0.5466843689017122 Energy: 0.5661105265980516 Energy: 0.529448915887744 Energy: 0.5722415883202845 Energy: 0.529448915887744 Energy: 0.5722415883202845 Energy: 0.5294489158871786 Energy: 0.5722415883197189 Energy: 0.5067933561093102 Energy: 0.5209317531517472 Energy: 0.5067933561093102 Energy: 0.5209317531517472 Energy: 0.5067933561093102 Energy: 0.5209317531534438 Energy: 0.5662667200354713 Energy: 0.5359077723766598 Energy: 0.5662667200360368 Energy: 0.5359077723766598 Energy: 0.5662667200354713 Energy: 0.535907772371005 Energy: 0.528407033818066 Energy: 0.5398016667160273 Energy: 0.49305445303439965 Energy: 0.5398016667160273 Energy: 0.528407033818066 Energy: 0.5398016667194201 Energy: 0.5769477068692631 Energy: 0.5308217211174958 Energy: 0.5633233082472456 Energy: 0.5308217211174958 Energy: 0.5769477068686976 Energy: 0.5308217211203233 Energy: 0.5663433815896882 Energy: 0.5388351792029705 Energy: 0.5663433815868865 Energy: 0.5388351792029705 Energy: 0.5663433815896882 Energy: 0.538835179204667 Energy: 0.5205031312982963 Energy: 0.5314961671943975 Energy: 0.5205031313011237 Energy: 0.5314961671943975 Energy: 0.5205031312982963 Energy: 0.5314961671960939 Energy: 0.5207138477205469 Energy: 0.5535725813975172 Energy: 0.5207138477199814 Energy: 0.5535725813975172 Energy: 0.5207138477205469 Energy: 0.5535725813980827 Energy: 0.5148687171073713 Energy: 0.5419569739577862 Energy: 0.5148687171079367 Energy: 0.5419569739572206 Energy: 0.5148687171073713 Energy: 0.5419569739589172 Energy: 0.5413435361527326 Energy: 0.5662392439426609 Energy: 0.5413435361527326 Energy: 0.5662392439426609 Energy: 0.5413435361521671 Energy: 0.5662392439409644 minimum gb energy = 0.49305445303439965 eV minimum distance = 2.55814016014949 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.5232281554251983 Energy: 0.5664019383209289 Energy: 0.5232281554251983 Energy: 0.5664019383209289 Energy: 0.5232281554251983 Energy: 0.5664019383209289 Energy: 0.5314957049150258 Energy: 0.5162656698409879 Energy: 0.531495704915514 Energy: 0.5162656698409879 Energy: 0.5314957049160022 Energy: 0.5162656698409879 Energy: 0.5420585653030413 Energy: 0.4962232817031834 Energy: 0.5420585653040175 Energy: 0.4962232817031834 Energy: 0.5420585653025531 Energy: 0.4962232817031834 Energy: 0.503803195613889 Energy: 0.5350400921843729 Energy: 0.503803195613889 Energy: 0.5350400921843729 Energy: 0.503803195614377 Energy: 0.5350400921843729 Energy: 0.5273220563508597 Energy: 0.5423643147361094 Energy: 0.5273220563503715 Energy: 0.5423643147361094 Energy: 0.5273220563503715 Energy: 0.5423643147361094 Energy: 0.5403726311321908 Energy: 0.5070594377183484 Energy: 0.5403726311317026 Energy: 0.5070594377188365 Energy: 0.5403726311317026 Energy: 0.5070594377188365 Energy: 0.4944258695816915 Energy: 0.5722637024692551 Energy: 0.4944258695812034 Energy: 0.5722637024692551 Energy: 0.4944258695816915 Energy: 0.5722637024692551 Energy: 0.5221753193326224 Energy: 0.5748925497323877 Energy: 0.5221753193331105 Energy: 0.5748925497323877 Energy: 0.5221753193326224 Energy: 0.5748925497323877 Energy: 0.556000549574226 Energy: 0.49521456080805965 Energy: 0.556000549574714 Energy: 0.49521456080805965 Energy: 0.556000549574226 Energy: 0.49521456080805965 Energy: 0.5393731548758373 Energy: 0.5298281379375883 Energy: 0.5393731548753492 Energy: 0.5298281379375883 Energy: 0.5393731548758373 Energy: 0.5298281379375883 Energy: 0.49663295492848425 Energy: 0.5942857183014993 Energy: 0.4966329549279961 Energy: 0.5942857183019875 Energy: 0.4966329549279961 Energy: 0.5942857183019875 Energy: 0.5400391951099424 Energy: 0.5046781863604557 Energy: 0.5400391951094543 Energy: 0.5046781863604557 Energy: 0.5400391951099424 Energy: 0.5046781863604557 Energy: 0.5370990454989271 Energy: 0.5208891324525434 Energy: 0.5370990454994151 Energy: 0.5208891324525434 Energy: 0.5370990454989271 Energy: 0.5208891324525434 Energy: 0.5054619869508412 Energy: 0.5345035447895983 Energy: 0.5054619869503532 Energy: 0.5345035447895983 Energy: 0.5054619869508412 Energy: 0.5345035447895983 Energy: 0.5392316003468473 Energy: 0.5048745394477065 Energy: 0.5392316003463591 Energy: 0.5048745394472184 Energy: 0.5392316003458709 Energy: 0.5048745394472184 Energy: 0.5685918662135747 Energy: 0.4954643947799211 Energy: 0.5685918662135747 Energy: 0.4954643947799211 Energy: 0.5685918662140628 Energy: 0.4954643947799211 Energy: 0.5095232102802212 Energy: 0.5366959104418736 Energy: 0.509523210279733 Energy: 0.5366959104418736 Energy: 0.5095232102807092 Energy: 0.5366959104418736 Energy: 0.5297440064164525 Energy: 0.5498907022873613 Energy: 0.5297440064164525 Energy: 0.5498907022873613 Energy: 0.5297440064164525 Energy: 0.5498907022873613 Energy: 0.5186950963384482 Energy: 0.506011860685661 Energy: 0.5186950963379601 Energy: 0.5060118606861491 Energy: 0.5186950963389364 Energy: 0.5060118606861491 Energy: 0.5120649943557473 Energy: 0.5292619724606038 Energy: 0.5120649943557473 Energy: 0.5292619724606038 Energy: 0.5120649943552592 Energy: 0.5292619724606038 Energy: 0.49509778335880644 Energy: 0.5742368846139299 Energy: 0.49509778335880644 Energy: 0.5742368846139299 Energy: 0.49509778335880644 Energy: 0.5742368846139299 Energy: 0.5577397580928468 Energy: 0.5028138127209495 Energy: 0.5577397580928468 Energy: 0.5028138127209495 Energy: 0.557739758093335 Energy: 0.5028138127209495 Energy: 0.5226055510196463 Energy: 0.5203548033649331 Energy: 0.5226055510211107 Energy: 0.5203548033649331 Energy: 0.5226055510206226 Energy: 0.5203548033649331 Energy: 0.5217207533940702 Energy: 0.5346067817036271 Energy: 0.5217207533940702 Energy: 0.5346067817036271 Energy: 0.5217207533940702 Energy: 0.5346067817036271 Energy: 0.5212720059053151 Energy: 0.503610080963904 Energy: 0.521272005904827 Energy: 0.5036100809643922 Energy: 0.5212720059043389 Energy: 0.5036100809643922 Energy: 0.5405143307155779 Energy: 0.5124506916307316 Energy: 0.5405143307150897 Energy: 0.5124506916302435 Energy: 0.5405143307155779 Energy: 0.5124506916307316 Energy: 0.49390207630993455 Energy: 0.5305957908430728 Energy: 0.4939020763109108 Energy: 0.5305957908420966 Energy: 0.49390207630993455 Energy: 0.5305957908425848 Energy: 0.5363520400526978 Energy: 0.5140188312304225 Energy: 0.5363520400531859 Energy: 0.5140188312299343 Energy: 0.5363520400526978 Energy: 0.5140188312304225 Energy: 0.528841237654829 Energy: 0.5059969722732257 Energy: 0.528841237654829 Energy: 0.5059969722732257 Energy: 0.5288412376553171 Energy: 0.5059969722737139 minimum gb energy = 0.49390207630993455 eV minimum distance = 2.59738236314952 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.4938209612398618 Energy: 0.543030320006722 Energy: 0.4938209612398618 Energy: 0.543030320006722 Energy: 0.4938209612398618 Energy: 0.543030320006722 Energy: 0.5326734760467673 Energy: 0.5053840064639493 Energy: 0.5326734760476254 Energy: 0.5053840064639493 Energy: 0.5326734760467673 Energy: 0.5053840064639493 Energy: 0.5299435897665924 Energy: 0.47547825015567285 Energy: 0.5299435897657342 Energy: 0.47547825015567285 Energy: 0.5299435897665924 Energy: 0.47547825015567285 Energy: 0.46975670091702654 Energy: 0.5258160654063805 Energy: 0.46975670091702654 Energy: 0.5258160654059513 Energy: 0.46975670091702654 Energy: 0.5258160654068096 Energy: 0.4997759739403883 Energy: 0.5020410289844341 Energy: 0.4997759739403883 Energy: 0.5020410289844341 Energy: 0.4997759739399592 Energy: 0.5020410289844341 Energy: 0.5288741675703919 Energy: 0.4750389154079102 Energy: 0.5288741675703919 Energy: 0.4750389154079102 Energy: 0.5288741675708211 Energy: 0.4750389154079102 Energy: 0.4921207797408076 Energy: 0.5243467134816685 Energy: 0.49212077973994944 Energy: 0.5243467134820976 Energy: 0.49212077974037854 Energy: 0.5243467134816685 Energy: 0.47028176288159335 Energy: 0.5207452133968725 Energy: 0.4702817628811643 Energy: 0.5207452133964434 Energy: 0.47028176288159335 Energy: 0.5207452133973015 Energy: 0.5283577511681586 Energy: 0.47598681016657096 Energy: 0.5283577511681586 Energy: 0.47598681016657096 Energy: 0.5283577511681586 Energy: 0.47598681016657096 Energy: 0.499424889121139 Energy: 0.5247967370018415 Energy: 0.49942488912071 Energy: 0.5247967370018415 Energy: 0.499424889121139 Energy: 0.5247967370018415 Energy: 0.4686591667010441 Energy: 0.5746004765101987 Energy: 0.4686591667006151 Energy: 0.5746004765101987 Energy: 0.4686591667010441 Energy: 0.5746004765101987 Energy: 0.536908700575451 Energy: 0.5056429780134728 Energy: 0.5369087005750219 Energy: 0.5056429780130436 Energy: 0.5369087005745928 Energy: 0.5056429780134728 Energy: 0.5199089205223095 Energy: 0.47499591852138673 Energy: 0.5199089205227387 Energy: 0.47499591852138673 Energy: 0.5199089205227387 Energy: 0.47499591852138673 Energy: 0.4966512114198841 Energy: 0.5190590592008288 Energy: 0.49665121141902596 Energy: 0.5190590592008288 Energy: 0.49665121141945506 Energy: 0.5190590592016869 Energy: 0.5313357018832444 Energy: 0.500856843360334 Energy: 0.5313357018832444 Energy: 0.500856843360334 Energy: 0.5313357018836735 Energy: 0.5008568433607632 Energy: 0.5318188565189417 Energy: 0.4832326771587644 Energy: 0.5318188565176544 Energy: 0.48323267715919344 Energy: 0.5318188565185125 Energy: 0.48323267715919344 Energy: 0.46662944852970895 Energy: 0.5263854875126561 Energy: 0.4666294485305671 Energy: 0.5263854875126561 Energy: 0.46662944852970895 Energy: 0.526385487512227 Energy: 0.4664008208656711 Energy: 0.5335823050576465 Energy: 0.46640082086524204 Energy: 0.5335823050576465 Energy: 0.46640082086524204 Energy: 0.5335823050576465 Energy: 0.5284545852602086 Energy: 0.4759553449552924 Energy: 0.5284545852606376 Energy: 0.4759553449552924 Energy: 0.5284545852597795 Energy: 0.4759553449552924 Energy: 0.4909156158194932 Energy: 0.5180700003170573 Energy: 0.4909156158194932 Energy: 0.5180700003170573 Energy: 0.4909156158190641 Energy: 0.5180700003170573 Energy: 0.46889647770685994 Energy: 0.5772507571553614 Energy: 0.46889647770643084 Energy: 0.5772507571553614 Energy: 0.46889647770643084 Energy: 0.5772507571553614 Energy: 0.5886237420767043 Energy: 0.4749656563824507 Energy: 0.5886237420762948 Energy: 0.4749656563824507 Energy: 0.5886237420762948 Energy: 0.4749656563824507 Energy: 0.5312322421970074 Energy: 0.47267482272157535 Energy: 0.5312322421970074 Energy: 0.47267482272157535 Energy: 0.5312322421970074 Energy: 0.4726748227211463 Energy: 0.46982363627223994 Energy: 0.5294847945234584 Energy: 0.46982363627138174 Energy: 0.5294847945234584 Energy: 0.46982363627223994 Energy: 0.5294847945234584 Energy: 0.5444044376905955 Energy: 0.501948338136303 Energy: 0.5444044376901664 Energy: 0.501948338136303 Energy: 0.5444044376914537 Energy: 0.501948338136303 Energy: 0.5192740569478064 Energy: 0.483280688878823 Energy: 0.5192740569482355 Energy: 0.483280688878823 Energy: 0.5192740569469483 Energy: 0.483280688878823 Energy: 0.4937950112132828 Energy: 0.5203619951362186 Energy: 0.4937950112132828 Energy: 0.5203619951362186 Energy: 0.4937950112132828 Energy: 0.5203619951366478 Energy: 0.49386704684394356 Energy: 0.5295314407972728 Energy: 0.4938670468448017 Energy: 0.529531440797702 Energy: 0.49386704684437266 Energy: 0.529531440797702 Energy: 0.5295688619712312 Energy: 0.4816698815459429 Energy: 0.5295688619725185 Energy: 0.4816698815459429 Energy: 0.5295688619716602 Energy: 0.4816698815459429 Energy: 0.46643967586232066 Energy: 0.5182902266581874 Energy: 0.46643967586232066 Energy: 0.5182902266581874 Energy: 0.46643967586317886 Energy: 0.5182902266581874 Energy: 0.46664919980196384 Energy: 0.5090603588877763 Energy: 0.4666491998015348 Energy: 0.5090603588877763 Energy: 0.46664919980196384 Energy: 0.5090603588877763 Energy: 0.5315340551436127 Energy: 0.47498177888510273 Energy: 0.5315340551427546 Energy: 0.47498177888510273 Energy: 0.5315340551431837 Energy: 0.47498177888510273 Energy: 0.5309979357604009 Energy: 0.4725929831691764 Energy: 0.5309979357604009 Energy: 0.4725929831691764 Energy: 0.5309979357608299 Energy: 0.47259298316874726 minimum gb energy = 0.46640082086524204 eV minimum distance = 2.61646302609003 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.0118125919534098 Energy: 0.43700772150524025 Energy: 0.0118125919534098 Energy: 0.43700772150524025 Energy: 0.0118125919534098 Energy: 0.4370077215049036 Energy: 0.012305432205868112 Energy: 0.17725583996309602 Energy: 0.012305432205511597 Energy: 0.17725583996309602 Energy: 0.012305432205868112 Energy: 0.17725583996309602 Energy: 0.5821449056529231 Energy: 0.17753203354204164 Energy: 0.5821449056529231 Energy: 0.17753203353786245 Energy: 0.5821449056525665 Energy: 0.17753203353960542 Energy: 0.012305432205155084 Energy: 0.17725583996309602 Energy: 0.012305432205155084 Energy: 0.17725583996309602 Energy: 0.012305432205511597 Energy: 0.17725583996309602 minimum gb energy = 0.0118125919534098 eV minimum distance = 2.83786655421705 Angstroms sigma value = 1