Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_000 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Fe Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.623951092362404 cohesive_energy=4.187902368921966 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 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: 0.0161034815471789 Energy: 0.016855766958271488 Energy: 0.6691674473849053 Energy: 0.016855766958271488 Energy: 0.016855766957682036 Energy: 1.0583806809129557 Energy: 0.016855766957682036 Energy: 1.0583806809129557 Energy: 0.6691674473849053 Energy: 0.016855766957682036 Energy: 0.0161034815471789 Energy: 0.016855766957682036 Energy: 0.016855766957682036 Energy: 1.0583806809129557 Energy: 0.016855766957682036 Energy: 1.0583806809129557 minimum gb energy = 0.0161034815471789 eV minimum distance = 2.51459765144695 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: -0.10165583008268637 Energy: 0.3802840305762845 Energy: -0.3143367599964795 Energy: 0.3802840325040348 Energy: -0.0782235359434687 Energy: 0.14683896729917692 Energy: -0.21151565415772133 Energy: 0.1468389483050392 Energy: 0.18539246970810297 Energy: 0.5700047859265029 Energy: 0.06230314457086908 Energy: 0.570004792663961 Energy: 0.1343241079607097 Energy: 0.005637587439591384 Energy: -0.021324611252056546 Energy: 0.005637587439591384 Energy: 0.15854408282420115 Energy: 0.37693227622150194 Energy: 0.11791696119311552 Energy: 0.3769322768721821 Energy: -0.08163550864174939 Energy: 0.28194807649342196 Energy: 0.10820068549472568 Energy: 0.2819480753940916 Energy: -0.02970304323205524 Energy: 0.5237962706062519 Energy: -0.15321227483776176 Energy: 0.5237960613209003 Energy: -0.12442389272489969 Energy: 0.3813974438147367 Energy: 0.22988639453501408 Energy: 0.38139744419526356 Energy: -0.03391911454096296 Energy: 0.42709360065997487 Energy: 0.029004399809763153 Energy: 0.42709360276326286 Energy: 0.11495319081644617 Energy: 0.565751192453457 Energy: -0.14834599414606556 Energy: 0.565751219549926 Energy: -0.07235397021051568 Energy: 0.19862655302998203 Energy: -0.002505264637480312 Energy: 0.19862662966333722 Energy: -0.148582398335817 Energy: 0.38380427841366005 Energy: 0.013849620813222153 Energy: 0.3838042781359374 Energy: 0.03372090844604893 Energy: 0.5264221325690622 Energy: -0.021866953460145184 Energy: 0.526422133236326 Energy: 0.0308392796048335 Energy: 0.4427822922397107 Energy: 0.07873803143911948 Energy: 0.4427822928124965 Energy: 0.07875887177166085 Energy: 0.3477153517978076 Energy: -0.04408063767119348 Energy: 0.34771534937592297 Energy: 0.12459239815238805 Energy: 0.35500684084455514 Energy: -0.03660353088884722 Energy: 0.35500684199907223 Energy: 0.049566690416297236 Energy: 0.5551353058447439 Energy: 0.011321104183414286 Energy: 0.5551348217602576 Energy: -0.14042202549809213 Energy: 0.1992366401277393 Energy: -0.09693254496890927 Energy: 0.244699145820442 Energy: 0.08902966134991219 Energy: 0.3716386517834534 Energy: -0.06454669187077773 Energy: 0.37163864953187686 Energy: -0.1806735642245711 Energy: -0.2152221484212255 Energy: -0.022187352506860953 Energy: -0.21522214825552774 Energy: 0.11020871969350166 Energy: 0.5703866077775046 Energy: -0.02134552149081681 Energy: 0.5703866085136485 Energy: -0.12789740571509003 Energy: -0.19729223092629722 Energy: 0.11556256218604054 Energy: -0.19312299033483404 Energy: 0.06869149092570835 Energy: 0.38138457072433 Energy: -0.010596255217542592 Energy: 0.38138457027189526 Energy: 0.07473407177833172 Energy: 0.5632987314495885 Energy: -0.10045823470903026 Energy: 0.563298684623526 Energy: -0.09456259087863918 Energy: 0.24550567168144533 Energy: -0.1148426635935892 Energy: 0.24550574208276194 Energy: 0.14914601601389815 Energy: 0.34994076944328656 Energy: -0.23765230942832466 Energy: 0.34994071882372246 Energy: 0.061841515674666295 Energy: 0.0958813615341579 Energy: -0.008071448059108905 Energy: 0.09573419071940777 Energy: 0.09187061562851892 Energy: 0.43396378118783985 Energy: -0.02733161388799121 Energy: 0.43397637204253037 Energy: -0.12175517150385445 Energy: 0.32165399491094887 Energy: -0.07342612532059976 Energy: 0.32165399617143536 Energy: 0.018545851983442763 Energy: 0.36947047947215655 Energy: -0.3231167575987509 Energy: 0.3694704504781454 Energy: -0.008088072474712238 Energy: 0.38046262487076016 Energy: 0.0021599644685858805 Energy: 0.3804638155926716 Energy: 0.07200574156227035 Energy: 0.5545987753229173 Energy: 0.055311214674766386 Energy: 0.5545988835855523 Energy: 0.15755991294364421 Energy: 0.1992649533675823 Energy: -0.13826891771042382 Energy: 0.19926495132932093 minimum gb energy = -0.3231167575987509 eV minimum distance = 2.31628132724657 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.13095345478341516 Energy: 0.40934613789174007 Energy: 0.01330823900729495 Energy: 0.4093461926937746 Energy: 0.15691421082199522 Energy: 0.25960652408405277 Energy: 0.023051362178991966 Energy: 0.2596067063969912 Energy: 0.08395635054302569 Energy: 0.465831024276456 Energy: 0.14175754224136078 Energy: 0.46583155131060666 Energy: 0.2621056317586419 Energy: 0.16416038716740983 Energy: 0.14479876867878316 Energy: 0.16415394547443396 Energy: 0.2962730047209949 Energy: 0.5931436115242759 Energy: 0.19663658863980393 Energy: 0.5931412863999865 Energy: -0.13783391842526568 Energy: 0.6257710688413372 Energy: 0.2427313960172294 Energy: 0.6257710690432071 Energy: 0.10649292722072319 Energy: 0.12100370927724517 Energy: 0.10645064885243251 Energy: 0.12100497174222835 Energy: 0.1556625142966253 Energy: 0.4798324751274887 Energy: 0.24952576575425345 Energy: 0.47983247773955834 Energy: 0.28748053576549437 Energy: -0.0026097513208764803 Energy: 0.23906302663329163 Energy: 0.04314045675905535 Energy: 0.3176987796047042 Energy: 0.4673874027958528 Energy: 0.061928176572628564 Energy: 0.46738739595938233 Energy: 0.1755411598077772 Energy: 0.411213947765316 Energy: -0.06485443546937275 Energy: 0.41121406957066825 Energy: 0.2005729918105449 Energy: 0.5728569919666786 Energy: 0.22117759030160172 Energy: 0.5728569916932166 Energy: 0.13215835786383406 Energy: 0.6533267348617751 Energy: 0.23461285959919012 Energy: 0.6533267349212846 Energy: 0.1580714650884771 Energy: 0.6325969427326218 Energy: 0.164737828911651 Energy: 0.6325670040698664 Energy: -0.003873772451511439 Energy: 0.5439977103781276 Energy: 0.3005045881440267 Energy: 0.5439980272963284 Energy: 0.1754270930040156 Energy: 0.39084767123070235 Energy: 0.10203605474263128 Energy: 0.39085672588383674 Energy: 0.2893710788334563 Energy: 0.4228720636634797 Energy: 0.22693694552065818 Energy: 0.422872063572901 Energy: 0.22008770129024938 Energy: -0.07458287086142831 Energy: 0.226856352650957 Energy: -0.01780422291314688 Energy: 0.14710732913791877 Energy: 0.4564678919541573 Energy: 0.28694379260265923 Energy: 0.4564678886675141 Energy: 0.1639919789223424 Energy: 0.16334015875382513 Energy: -0.06975045991225673 Energy: 0.16334015995033396 Energy: -0.08130761100263145 Energy: 0.6122788301995952 Energy: 0.221714410861741 Energy: 0.6122787649742313 Energy: 0.2991928106964256 Energy: 0.6658981093338013 Energy: 0.25652298887373265 Energy: 0.6658980981599915 Energy: 0.23106670794962825 Energy: 0.14727432511314376 Energy: 0.12613002904310533 Energy: 0.14728157988782936 Energy: 0.10354284090110293 Energy: 0.444822698764017 Energy: 0.25855731277292665 Energy: 0.4448226957827285 Energy: 0.15750183982997804 Energy: 0.2723427459343361 Energy: -0.0955966829224525 Energy: 0.27236757830651354 Energy: 0.13095533343761873 Energy: 0.409346133788987 Energy: 0.10493805132349276 Energy: 0.4093461670689655 Energy: 0.15691410225391192 Energy: 0.2596066900248542 Energy: 0.02305136408800825 Energy: 0.2596065833252641 Energy: 0.08395635725267031 Energy: 0.46583145593063896 Energy: 0.14180465349970725 Energy: 0.4658312329302415 Energy: 0.2621049871297313 Energy: 0.1641608248618029 Energy: 0.014826345677696525 Energy: 0.164154824645084 minimum gb energy = -0.13783391842526568 eV minimum distance = 2.20132653634177 Angstroms sigma value = 25 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.15278677323823603 Energy: 0.8698198376970774 Energy: -0.31594234373186225 Energy: 0.8698198408148098 Energy: 0.2915144659756323 Energy: 0.5385834473479828 Energy: 0.3727617800320896 Energy: 0.5385790811490794 Energy: 0.3681020738790299 Energy: 0.5931054363118691 Energy: 0.41586619713345846 Energy: 0.5639833821642765 Energy: 0.5482639549644585 Energy: 0.24072805442815393 Energy: 0.2498928560813066 Energy: 0.19146889932221428 Energy: 0.31337376788143123 Energy: 0.7766622647573013 Energy: 0.5786534622498442 Energy: 0.7766622499679546 Energy: 0.015094689494054162 Energy: 0.6200660189367213 Energy: 0.30350329953342164 Energy: 0.6200669791239444 Energy: 0.21601202623591667 Energy: 0.30078406691514686 Energy: 0.006188278706361018 Energy: 0.29142792036194703 Energy: -0.2644787762957661 Energy: 0.8320545344073033 Energy: 0.2158295609007452 Energy: 0.8320605755847184 Energy: 0.12550161338223143 Energy: 0.7030535806974366 Energy: 0.2345865706167499 Energy: 0.7030536107684972 Energy: 0.4046936791935393 Energy: 0.6112074593211475 Energy: 0.42048502333478494 Energy: 0.6112075166012731 Energy: 0.40424776212104707 Energy: 0.8223804156736664 Energy: 0.35809864416697434 Energy: 0.8227199893140495 Energy: 0.22951854823406184 Energy: 0.8069433845107924 Energy: 0.2698272431135561 Energy: 0.8277081147648303 Energy: 0.38149673045789145 Energy: 0.5180068027953706 Energy: 0.3920005529209587 Energy: 0.5180071838516118 Energy: 0.08006233844385796 Energy: 0.3327032158286204 Energy: 0.23818347325025416 Energy: 0.33022960690087827 Energy: 0.19261869230668066 Energy: 0.8827536071222463 Energy: 0.1307860115822898 Energy: 0.8827536074962757 Energy: 0.3497770289317607 Energy: 0.39603653955675705 Energy: 0.17935207995691937 Energy: 0.35863075790000587 Energy: 0.3005042906140621 Energy: 0.6271368334247297 Energy: 0.3596009672524847 Energy: 0.6383812958631778 Energy: 0.20025267697337348 Energy: 0.5090188216546654 Energy: 0.5428872146290192 Energy: 0.5078541829177924 Energy: 0.5370900125563424 Energy: 0.5002611447695311 Energy: 0.21347992564475327 Energy: 0.5002608068338356 Energy: 0.37321961192347375 Energy: 0.5851568179212933 Energy: 0.4261111545627561 Energy: 0.5851564963914516 Energy: 0.2010207086557134 Energy: 0.6882385230843393 Energy: 0.3860815898598754 Energy: 0.6882433224020775 Energy: 0.19276176809533863 Energy: 0.8689964227305872 Energy: 0.20103708219694405 Energy: 0.8689965416841564 Energy: 0.23513272188239698 Energy: 0.5101785533376929 Energy: 0.03612974202175529 Energy: 0.5101785546914404 Energy: 0.3247420258964978 Energy: 0.6783567991416025 Energy: 0.4037488863380001 Energy: 0.6783567992097777 Energy: 0.22799029861341755 Energy: 0.16004298636200512 Energy: 0.29629056310538177 Energy: 0.2604390450553727 minimum gb energy = -0.31594234373186225 eV minimum distance = 2.2238409769551 Angstroms sigma value = 9 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.5589403120645654 Energy: 0.5218893328467586 Energy: 0.5135179347117851 Energy: 0.5218339666444332 Energy: 0.3519714963049582 Energy: 0.6871123647598427 Energy: 0.6938291632691368 Energy: 0.67673365512005 Energy: 0.5486711311461306 Energy: 0.35039397962283153 Energy: 0.7756611438538894 Energy: 0.39854176385555035 Energy: 0.5424115450465917 Energy: 0.30940541311674635 Energy: 0.34181647258258485 Energy: 0.31928618730545516 Energy: 0.2518078252382089 Energy: 0.7200554224841061 Energy: 0.5894232895325283 Energy: 0.7200554481417502 Energy: 0.5462531324680366 Energy: 0.4792427198339372 Energy: 0.3454880859900423 Energy: 0.35368779182498294 Energy: 0.5531370737011398 Energy: 0.3641049455330832 Energy: 0.4134651625511614 Energy: 0.36877834917298685 Energy: 0.25847507564426986 Energy: 0.37778827458106856 Energy: 0.4538897675648855 Energy: 0.4491342350231059 Energy: 0.5220008575902773 Energy: 0.6674343451547726 Energy: 0.48355467471218794 Energy: 0.6758103353740357 Energy: 0.5604756917904306 Energy: 0.5040890850624199 Energy: 0.30895959728760447 Energy: 0.5182538634555333 Energy: 0.5068136753938158 Energy: 0.6331252807715951 Energy: 0.6882696055684662 Energy: 0.6386573728001692 Energy: 0.1352003625293858 Energy: 0.484992232222895 Energy: 0.26126404765959665 Energy: 0.45673651307704427 Energy: 0.5472666921698873 Energy: 0.5124203737029663 Energy: 0.6593456685781738 Energy: 0.5005808029399812 Energy: 0.02639393624893974 Energy: 0.4455105174478899 Energy: 0.7422493490037114 Energy: 0.5151572560768221 Energy: 0.5557236452642837 Energy: 0.5105279226710694 Energy: 0.2865262187319347 Energy: 0.49796270893995304 Energy: 0.06120475723924647 Energy: 0.4422778742650096 Energy: 0.3703657721622574 Energy: 0.4659865577572394 Energy: 0.5623960259711621 Energy: 0.6666744515653125 Energy: 0.577247350887834 Energy: 0.6516225661311567 Energy: 0.42427154216834906 Energy: 0.5140529220061032 Energy: 0.32449999563501425 Energy: 0.4296118752695253 Energy: 0.4646859142548322 Energy: 0.685847597609007 Energy: 0.536662945382636 Energy: 0.6689297278094403 Energy: 0.33828432900540567 Energy: 0.45566315742506824 Energy: 0.3638650322733604 Energy: 0.49353761563757576 Energy: 0.4980660506187444 Energy: 0.32483482011608744 Energy: 0.40433061169581996 Energy: 0.3237822825944574 minimum gb energy = 0.02639393624893974 eV minimum distance = 2.26109027531974 Angstroms sigma value = 25 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.9816187504354313 Energy: 0.9626590199789493 Energy: 0.819255596181684 Energy: 0.9626589089172461 Energy: 0.8813654835367002 Energy: 0.9305874689754251 Energy: 0.8718994112942704 Energy: 0.9305874932838141 Energy: 0.9156229211175018 Energy: 0.7899184406485159 Energy: 0.8959706968692818 Energy: 0.7899184453648902 Energy: 0.7640267010835871 Energy: 0.9630281861358505 Energy: 0.759757872235444 Energy: 0.9630281759086019 Energy: 0.751099034456685 Energy: 0.858140900742644 Energy: 0.4580629650889033 Energy: 0.8549425370996563 Energy: 0.9125291021286918 Energy: 0.8593331859023924 Energy: 0.9036246135503369 Energy: 0.8593346046818059 Energy: 0.8972022131972415 Energy: 0.9653857292701923 Energy: 0.896429391409658 Energy: 0.965385728974311 Energy: 0.7190042860363589 Energy: 0.9000936770256898 Energy: 0.7776310051608534 Energy: 0.9000936769813209 Energy: 0.8931162781543844 Energy: 0.9510952791713259 Energy: 0.8589833475433367 Energy: 0.9510952640619674 Energy: 0.51596490983438 Energy: 0.8131699337575524 Energy: 0.9030620589821777 Energy: 0.8131698748691235 Energy: 0.7818912466989005 Energy: 0.9560556507947158 Energy: 0.5078541422022325 Energy: 0.9560556457646654 Energy: 0.888509866019123 Energy: 0.8083903233916476 Energy: 0.6330097967516298 Energy: 0.8083904911625982 Energy: 0.7986354407331612 Energy: 0.7643048769553479 Energy: 0.9121470008357698 Energy: 0.7742079926269746 Energy: 0.8870905077774026 Energy: 0.9668805150292182 Energy: 0.48927080537144635 Energy: 0.9668805149833358 Energy: 0.9247726941602955 Energy: 0.9339681359622175 Energy: 0.7826166016189985 Energy: 0.9339695094298706 Energy: 0.854200835689833 Energy: 0.7685187747484035 Energy: 0.9076312510583195 Energy: 0.7685381921350255 Energy: 0.8985494356104594 Energy: 0.9727790649502646 Energy: 0.6526198287263014 Energy: 0.9727790666205344 minimum gb energy = 0.4580629650889033 eV minimum distance = 2.30585135545026 Angstroms sigma value = 17 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.9480131747527196 Energy: 0.9361475202883708 Energy: 0.6409401188786599 Energy: 0.9361476698287442 Energy: 0.9082744949897036 Energy: 0.9618022220034617 Energy: 0.9470998765588693 Energy: 0.9618022224810714 Energy: 0.9067602813671929 Energy: 0.9518500588583235 Energy: 0.9510717763045846 Energy: 0.9518500561453016 Energy: 0.9342385273120375 Energy: 0.9462162787922129 Energy: 0.8299938409466988 Energy: 0.9462162787846687 Energy: 0.925380388952213 Energy: 1.1358099006097815 Energy: 0.8857970521633529 Energy: 1.135809901732536 Energy: 0.9692767188105761 Energy: 0.9593046710254278 Energy: 0.858890994845608 Energy: 0.959304557175976 Energy: 0.9178576444745895 Energy: 0.9741665344246772 Energy: 0.950771441607071 Energy: 0.9741665343501114 Energy: 0.8828198402556884 Energy: 0.9663667184472965 Energy: 0.9054531382519627 Energy: 0.9663668092016185 Energy: 0.9512319361415223 Energy: 1.1318094830499639 Energy: 0.8776302742625424 Energy: 1.1318094870030566 Energy: 0.8122775313460057 Energy: 1.0998414259298883 Energy: 0.9105007557873539 Energy: 1.099841387720342 Energy: 0.9456170540275132 Energy: 1.1508773769688394 Energy: 0.8772015655533684 Energy: 1.150877293633072 Energy: 0.8777990886688535 Energy: 0.9760495397965501 Energy: 0.8150693127722616 Energy: 0.9760495396365211 Energy: 0.8495348823550929 Energy: 0.8798240352915835 Energy: 0.8820848882277723 Energy: 0.8798240359241926 Energy: 0.9135416304733336 Energy: 1.1170661303091793 Energy: 0.9023701757479199 Energy: 1.1170661297494975 Energy: 0.8503815152523623 Energy: 0.9532212338161122 Energy: 0.9348713093305747 Energy: 0.9532212339501555 Energy: 0.8755617114632797 Energy: 0.9843948080183937 Energy: 0.8772165607983747 Energy: 0.9843948051922469 Energy: 0.9520321688156733 Energy: 0.997375892810984 Energy: 0.842806218472879 Energy: 0.9973758927121472 Energy: 0.9171398762698271 Energy: 0.9132597947336032 Energy: 0.9707494211301441 Energy: 0.9132597945970452 Energy: 0.8430838046746455 Energy: 0.9510175602738237 Energy: 0.9083782671999909 Energy: 0.9510175626182076 Energy: 0.9466826618771551 Energy: 0.930673816670164 Energy: 0.9378833449592762 Energy: 0.9306738369056932 Energy: 0.808260211480924 Energy: 1.1588852556827116 Energy: 0.9053723285007101 Energy: 1.158885174672849 Energy: 0.9474262949169959 Energy: 0.8053659497236607 Energy: 0.8645805719305778 Energy: 0.8053708027117282 Energy: 0.8895936838992857 Energy: 1.1547642407387169 Energy: 0.941675632460918 Energy: 1.1547642322786793 Energy: 0.9310529249533305 Energy: 0.9532654908399968 Energy: 0.9066623323888164 Energy: 0.9532654908324525 Energy: 0.8939736852657963 Energy: 0.9489525217260071 Energy: 0.8978604018519912 Energy: 0.9489525217016981 Energy: 0.8445572208162668 Energy: 1.1660182699601873 Energy: 0.9429001511754102 Energy: 1.1660182699568347 Energy: 0.9470622051054179 Energy: 0.7674276403036565 Energy: 0.8238013215374272 Energy: 0.7674274905638184 Energy: 0.8674332645071245 Energy: 0.9774746973639082 Energy: 0.9054934833868323 Energy: 0.9774746974686508 Energy: 0.8173184379641274 Energy: 0.9460355967406168 Energy: 0.9207216008608005 Energy: 0.9460355913706595 Energy: 0.9000454542344553 Energy: 0.9903733097456038 Energy: 0.9295555081532814 Energy: 0.9903733097715894 minimum gb energy = 0.6409401188786599 eV minimum distance = 2.29185679475321 Angstroms sigma value = 53 ======================================== theta = 36.86989764584402 ======================================== Energy: 1.063173523204222 Energy: 1.0567897600411589 Energy: -1.6953498979012889 Energy: 1.0567897600430887 Energy: 1.0261092646030874 Energy: 1.096671859018564 Energy: 0.8743355098050525 Energy: 1.0966718590166342 Energy: 1.0380415151921456 Energy: 1.0546431656292239 Energy: 0.8755180006093701 Energy: 1.054643165627294 Energy: 1.0374232218820991 Energy: 1.0545725241276098 Energy: 0.8618844881264928 Energy: 1.0545725241276098 Energy: 1.0338640757140483 Energy: 1.0966725582444288 Energy: 0.8527177395243644 Energy: 1.0966725582444288 Energy: 1.063173523204222 Energy: 1.0567897600411589 Energy: 0.872556923568599 Energy: 1.0567897600430887 Energy: 1.026109265039044 Energy: 1.0966718590166342 Energy: 0.9483644206726857 Energy: 1.0966718590166342 Energy: 1.0380415151921456 Energy: 1.054643165627294 Energy: 1.006224739797443 Energy: 1.054643165627294 Energy: 1.0374232218820991 Energy: 1.0545725241295396 Energy: 0.9518275092519166 Energy: 1.0545725241295396 Energy: 1.033864075715978 Energy: 1.0966725582444288 Energy: 0.9477898774408688 Energy: 1.0966725582444288 Energy: 1.063173523204222 Energy: 1.0567897600430887 Energy: 0.8615899272260457 Energy: 1.0567897600430887 Energy: 1.026109264873126 Energy: 1.0966718590166342 Energy: 0.9483644206668963 Energy: 1.0966718590166342 Energy: 1.0380415151902158 Energy: 1.0546431656292239 Energy: 1.0062247402353293 Energy: 1.0546431656292239 minimum gb energy = -1.6953498979012889 eV minimum distance = 2.29377792157149 Angstroms sigma value = 9 ======================================== theta = 41.112090439166934 ======================================== Energy: 1.1121297374994936 Energy: 0.9873363972056844 Energy: 0.6815950560114649 Energy: 0.9873363972056844 Energy: 1.050945269390645 Energy: 1.0516111665476833 Energy: 0.9915725530157291 Energy: 1.0516111665491117 Energy: 0.9952149827463451 Energy: 1.0774095282799019 Energy: 0.9883010712145341 Energy: 1.0774095282820446 Energy: 0.9592116825185069 Energy: 1.033264712827186 Energy: 0.9869499651137121 Energy: 1.0332647128257575 Energy: 0.9907073393317745 Energy: 1.1062352814934462 Energy: 0.9782966537787496 Energy: 1.1062352814927316 Energy: 1.0883090556298025 Energy: 1.0559730454427838 Energy: 0.9394432072944897 Energy: 1.055973045440641 Energy: 1.0030737887685133 Energy: 0.9669720399715721 Energy: 0.9680919996336623 Energy: 0.9669720399715721 Energy: 0.9846992794854023 Energy: 0.9968617941663239 Energy: 0.9289938674541557 Energy: 0.9968617941656096 Energy: 1.000731017733138 Energy: 1.0484279933461103 Energy: 0.9858794498796846 Energy: 1.0484279933461103 Energy: 0.9870304102458114 Energy: 1.0965311497293602 Energy: 1.0119418387752503 Energy: 1.096531149728646 Energy: 1.0280836290566113 Energy: 1.028230484467652 Energy: 0.9092996365879588 Energy: 1.0282304844662233 Energy: 1.0403123430678796 Energy: 0.9790780278672018 Energy: 0.9841945523417897 Energy: 0.979078027867916 Energy: 0.9966990505855975 Energy: 1.0290445932489445 Energy: 0.9859340526520116 Energy: 1.029044593247516 Energy: 0.9629324433267596 Energy: 1.1806088077622643 Energy: 1.0122933368801914 Energy: 1.1806088077629788 Energy: 1.0126235580667093 Energy: 1.0370126139163707 Energy: 0.982153362393307 Energy: 1.0370126139170848 Energy: 0.9956702603965242 Energy: 1.0437472207769813 Energy: 0.9374103972912974 Energy: 1.043747220776267 Energy: 1.00820319076107 Energy: 1.0576559323011159 Energy: 1.0094223658704167 Energy: 1.0576559322996877 Energy: 1.0222473830505685 Energy: 1.0339996843736787 Energy: 0.8853821146673359 Energy: 1.033999684371536 Energy: 0.9988448649094845 Energy: 1.022284173152285 Energy: 0.956027297940106 Energy: 1.0222841731515708 Energy: 0.9838013344771881 Energy: 1.086858747624031 Energy: 1.0499504340108246 Energy: 1.086858747624031 Energy: 0.9574034402891839 Energy: 1.0309309089867567 Energy: 0.95951618562686 Energy: 1.0309309089867567 Energy: 1.0081933186057581 Energy: 1.096736332708096 Energy: 0.9864966034734312 Energy: 1.0967363327073818 Energy: 0.9849293408204923 Energy: 1.048013721122535 Energy: 1.0013757758715076 Energy: 1.048013721121821 Energy: 0.8918693824334805 Energy: 1.23462090524626 Energy: 1.02612631321063 Energy: 1.2346209052448314 Energy: 0.968307042607859 Energy: 0.8246646398962386 Energy: 1.0582827869278313 Energy: 0.8246646397691678 Energy: 0.9561444305963157 Energy: 1.060571095654389 Energy: 1.0008107599218794 Energy: 1.0605710956536745 Energy: 0.9757200437874446 Energy: 1.039670295615644 Energy: 0.9589298924135676 Energy: 1.0396702956163584 Energy: 1.0213346056938943 Energy: 1.0325843285265366 Energy: 0.9600959084149667 Energy: 1.0325843285243936 Energy: 0.9551525438896074 Energy: 1.060907105225071 Energy: 0.9996795393211064 Energy: 1.060907105225785 Energy: 0.9898087465324937 Energy: 0.8224464936732615 Energy: 1.0461341406618827 Energy: 0.8224464936760535 Energy: 0.9448199000675459 Energy: 0.984601280207437 Energy: 1.0268444408775241 Energy: 0.9846012802067229 Energy: 0.9913043427141012 Energy: 1.085204616270861 Energy: 0.9977275088082506 Energy: 1.0852046162694327 Energy: 0.9958101462267962 Energy: 1.0958023674101838 Energy: 0.9943211978187834 Energy: 1.095802367410898 Energy: 0.9581667953983705 Energy: 1.0260427860848278 Energy: 0.9575729414872047 Energy: 1.026042786085542 Energy: 0.9702858837863959 Energy: 1.014944807748856 Energy: 0.9465025731600358 Energy: 1.014944807751713 minimum gb energy = 0.6815950560114649 eV minimum distance = 2.32067354728344 Angstroms sigma value = 73 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.9951889022310363 Energy: 0.9926947881394803 Energy: 0.7989940945474006 Energy: 0.9926947599848961 Energy: 0.9645562645469843 Energy: 1.1191743775000855 Energy: 0.9423650475394743 Energy: 1.1191743771240141 Energy: 0.9576100970971183 Energy: 1.136999122393744 Energy: 0.9512975706273638 Energy: 1.136999121726566 Energy: 0.9326527525614573 Energy: 1.0829313402137812 Energy: 0.9508161344527654 Energy: 1.0829313384445054 Energy: 0.8965394181854867 Energy: 1.0630848183811064 Energy: 0.9357606610863703 Energy: 1.0630844601329976 Energy: 0.96074893818927 Energy: 1.0548146032306964 Energy: 0.8538493412412947 Energy: 1.0548146027515546 Energy: 1.0147634423196088 Energy: 0.8762170579321192 Energy: 0.9534786689715861 Energy: 0.8762170556701027 Energy: 0.9745575928692645 Energy: 0.9421495259171668 Energy: 0.9698849644664117 Energy: 0.9421495260383689 Energy: 0.9090059672928547 Energy: 0.9355477422287488 Energy: 0.9060293171029824 Energy: 0.935547742378281 Energy: 0.9570129241127954 Energy: 1.0634682084388924 Energy: 0.9555785787206668 Energy: 1.0634682085102332 Energy: 0.8793247118740495 Energy: 0.9305867227143292 Energy: 0.9190403871818789 Energy: 0.9305867238391176 Energy: 1.0223518476131688 Energy: 1.108237521640671 Energy: 0.9268701552488611 Energy: 1.1082375217279024 Energy: 0.9771075054706577 Energy: 1.101565965178185 Energy: 0.9275564119872275 Energy: 1.1015659955709884 Energy: 0.76590473300516 Energy: 0.9169278072846776 Energy: 0.9634459983353714 Energy: 0.9169278279928339 Energy: 0.890465176803886 Energy: 1.052729516180065 Energy: 0.993730686564344 Energy: 1.052729516002228 Energy: 0.9040684373546292 Energy: 1.107486197560389 Energy: 0.9519116376283441 Energy: 1.1074861976192902 Energy: 0.9476654534916008 Energy: 1.0475416211267614 Energy: 0.9520051763095687 Energy: 1.04754162197175 Energy: 0.9205104147456525 Energy: 1.016237698209041 Energy: 0.9689440372072455 Energy: 1.0162376982124408 Energy: 0.9524623405552909 Energy: 1.0864928652127381 Energy: 0.9759693164406019 Energy: 1.0864928652138712 Energy: 0.9487439331467853 Energy: 1.2173568526046388 Energy: 1.0263651312738218 Energy: 1.217356853028279 Energy: 0.8688892242867466 Energy: 1.0346743498094815 Energy: 0.9569343610429971 Energy: 1.0346743608964246 Energy: 0.9459757613703736 Energy: 1.0950308370956139 Energy: 0.7891395507687267 Energy: 1.0950308390959618 minimum gb energy = 0.76590473300516 eV minimum distance = 2.3063951442806 Angstroms sigma value = 7 ======================================== theta = 46.39718102729638 ======================================== Energy: 1.119604794818354 Energy: 1.1008041421082098 Energy: 0.6653038608968549 Energy: 1.1008041421074084 Energy: 1.0023273890174285 Energy: 1.1061832387104333 Energy: 1.0125947903558874 Energy: 1.1061832387120358 Energy: 0.993851030196983 Energy: 1.1249884923281477 Energy: 0.9443704991316056 Energy: 1.1249884923297504 Energy: 0.880418812287282 Energy: 1.051616163760696 Energy: 1.014717740659728 Energy: 1.0516161637622987 Energy: 1.0040629862269623 Energy: 1.0966685460243084 Energy: 0.9727682056311904 Energy: 1.0966685460243084 Energy: 0.9430127538245568 Energy: 0.9524857686696488 Energy: 0.9007049920417733 Energy: 0.9524857686688475 Energy: 1.0710745801465944 Energy: 0.9015317589654963 Energy: 0.9719221678557851 Energy: 0.9015317586851868 Energy: 0.952366663603902 Energy: 0.9559614527023951 Energy: 0.7278797942627129 Energy: 0.9559614527047626 Energy: 0.7941091339226948 Energy: 0.9402766689616265 Energy: 0.9792504294212618 Energy: 0.940276659490471 Energy: 0.9552693370037328 Energy: 1.0470160397927686 Energy: 1.0554755761344041 Energy: 1.047016039791166 Energy: 0.8810645066055638 Energy: 1.0509009105311429 Energy: 0.9183667474485548 Energy: 1.0509009105311429 Energy: 0.9769547876913726 Energy: 1.1029638995143898 Energy: 0.9248711013321859 Energy: 1.1029638995151911 Energy: 0.9466032220341942 Energy: 1.0500799913050989 Energy: 0.9150914548359141 Energy: 1.0500799913050989 Energy: 0.9449494399519902 Energy: 1.0346840306555616 Energy: 0.9274747445526634 Energy: 1.0346840306571643 Energy: 0.9700869026702467 Energy: 1.0304012101771467 Energy: 1.0352023594626456 Energy: 1.0304012101771467 Energy: 0.7196248365293031 Energy: 1.0311378414676522 Energy: 1.0625462694564438 Energy: 1.0311378414676522 Energy: 0.9684978061632045 Energy: 1.039136373767205 Energy: 0.9146494601660198 Energy: 1.0391363737688075 Energy: 0.9702335402151547 Energy: 1.0925304274471486 Energy: 0.9244077994153042 Energy: 1.0925304274471486 Energy: 0.9687299624706482 Energy: 1.0507098993279087 Energy: 0.9184972477787345 Energy: 1.0507098993279087 Energy: 0.9572255691117351 Energy: 1.069706074408243 Energy: 0.9243386289891761 Energy: 1.0697060744098454 Energy: 0.8719691699602713 Energy: 1.0429494629393532 Energy: 0.9735233962361769 Energy: 1.0429494629393532 Energy: 0.9532650728368605 Energy: 1.0509309043610062 Energy: 1.0165575158787095 Energy: 1.0509309043682178 Energy: 1.0113887270461976 Energy: 0.9451635773416645 Energy: 0.9086744473585462 Energy: 0.9451635772888151 Energy: 0.9381977091714556 Energy: 0.9438215435503398 Energy: 0.9580787935327754 Energy: 0.9438215435487372 Energy: 1.0440590625780475 Energy: 1.0724025330369367 Energy: 0.9188157837792871 Energy: 1.072402533037738 Energy: 0.8760591796690458 Energy: 1.0491315970524162 Energy: 0.8597108569861255 Energy: 1.0491315970516149 Energy: 1.0044789988532703 Energy: 1.1282779014739373 Energy: 0.9743479488586867 Energy: 1.1282779014715336 Energy: 0.8807060775178678 Energy: 1.0421939722152067 Energy: 1.014849709587332 Energy: 1.0421939722120013 Energy: 1.0322267763741948 Energy: 1.1005469555619884 Energy: 0.7917641009483656 Energy: 1.1005469555627898 Energy: 1.0375351930691576 Energy: 1.0195409871133774 Energy: 1.0149421396192693 Energy: 1.0195409871133774 Energy: 1.0320743540066135 Energy: 1.1004322755777889 Energy: 0.969350501166846 Energy: 1.1004322755777889 minimum gb energy = 0.6653038608968549 eV minimum distance = 2.29661978042833 Angstroms sigma value = 29 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.974049369227639 Energy: 0.891648323571091 Energy: 0.928931851487374 Energy: 0.8916483235972659 Energy: 0.937362317821756 Energy: 0.9793949297030083 Energy: 0.9761044519179664 Energy: 0.9793949297008373 Energy: 1.0115628866310535 Energy: 1.128575028702121 Energy: 0.9282651245596519 Energy: 1.128575028701873 Energy: 0.9751122047506975 Energy: 1.004949219449355 Energy: 0.9761351178494146 Energy: 1.0049492194504404 Energy: 0.9791387406046774 Energy: 0.9817836710770758 Energy: 0.843872115262244 Energy: 0.9817836710721757 Energy: 0.8877429106067188 Energy: 1.0702591682076055 Energy: 0.8876132854237314 Energy: 1.0702591682073261 Energy: 0.8839458434171942 Energy: 0.9764141627019828 Energy: 0.9775276514001738 Energy: 0.9764141625617737 Energy: 0.977241693680153 Energy: 1.006098073410284 Energy: 0.9755755992703222 Energy: 1.0060980734072758 Energy: 0.9283650658272461 Energy: 1.1279400141245748 Energy: 0.9296326220649298 Energy: 1.1279400141248541 minimum gb energy = 0.843872115262244 eV minimum distance = 2.30505899654608 Angstroms sigma value = 5 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.9370993196282585 Energy: 0.8451306671349883 Energy: 0.2657401961063828 Energy: 0.8451306671349883 Energy: 1.0391554223567288 Energy: 0.8901674017854384 Energy: 0.8389543507325309 Energy: 0.8901674017869523 Energy: 0.8430475089798416 Energy: 0.815963051055362 Energy: 0.9624305039793337 Energy: 0.8159630510576328 Energy: 0.7945899018653898 Energy: 0.8703158603034483 Energy: 0.8818006432319675 Energy: 0.8703158603019346 Energy: 0.8858963003562262 Energy: 0.9446866807578796 Energy: 1.0722889384660406 Energy: 0.9446866807586366 Energy: 0.7528086670009769 Energy: 0.8539116040658081 Energy: 0.8394819673854037 Energy: 0.8539116040650513 Energy: 0.8454850349653343 Energy: 0.9400761748869335 Energy: 0.8453687162533131 Energy: 0.9400761748869335 Energy: 0.8465040481019857 Energy: 0.9342195490805184 Energy: 0.848060168404488 Energy: 0.9342195490805184 Energy: 0.8866696512257058 Energy: 0.9730192700838799 Energy: 0.8353968227336248 Energy: 0.9730192700838799 Energy: 0.8845625672519213 Energy: 0.9476854201222124 Energy: 0.8040098843836562 Energy: 0.9476854201214554 Energy: 0.7286272679232971 Energy: 0.9349597326268807 Energy: 0.8454488924554346 Energy: 0.9349597326268807 Energy: 0.84409469548589 Energy: 0.8652928163576766 Energy: 0.8714384402007439 Energy: 0.8652928163584335 Energy: 0.748824402339894 Energy: 0.8565893535367354 Energy: 0.8956349979302831 Energy: 0.8565893535382492 Energy: 0.8841197246313471 Energy: 0.8432800861764647 Energy: 0.9606581974368913 Energy: 0.8432800861764647 Energy: 0.8664114280860465 Energy: 0.869638173904073 Energy: 0.8440290995012695 Energy: 0.8696381739033161 Energy: 0.8739209288940416 Energy: 0.8103526876119499 Energy: 0.7082039153993199 Energy: 0.8103526876111928 Energy: 1.0355623393988924 Energy: 0.8647156164199183 Energy: 0.8613440825939112 Energy: 0.8647156164191613 Energy: 0.8854056066846496 Energy: 0.8541309934491571 Energy: 0.6922068491434631 Energy: 0.8541309934484003 Energy: 0.8445408450662619 Energy: 0.9638950115919668 Energy: 0.8415852249939635 Energy: 0.9638950115919668 Energy: 0.8437345998801267 Energy: 0.9421752152310222 Energy: 0.8601481911642044 Energy: 0.9421752152310222 Energy: 0.8044565338972158 Energy: 0.9331302032155141 Energy: 0.8839356968628298 Energy: 0.933130203216271 Energy: 0.8873180232552795 Energy: 0.9559647281861259 Energy: 0.8879176279600671 Energy: 0.955964728185369 Energy: 0.8420212909535951 Energy: 0.933670042703953 Energy: 0.8039747914797366 Energy: 0.9336700427031961 Energy: 0.879460588624069 Energy: 0.954697820961904 Energy: 0.8456434145488118 Energy: 0.954697820961904 Energy: 0.8694013148727371 Energy: 0.8911562848374326 Energy: 0.8485935594371307 Energy: 0.8911562848381894 Energy: 0.8767517339797728 Energy: 0.8504162076769282 Energy: 0.8871965556878701 Energy: 0.8504162076746572 Energy: 0.8376731451954039 Energy: 0.8515508107590609 Energy: 0.856959472261813 Energy: 0.8515508107590609 Energy: 0.429652528633654 Energy: 0.8680890969548436 Energy: 0.8732124715973258 Energy: 0.8680890969525729 Energy: 0.8420148787611109 Energy: 0.8896177366416577 Energy: 1.0454075517180066 Energy: 0.8896177366416577 Energy: 0.8091034619379622 Energy: 0.8483451120572901 Energy: 0.8851242912511103 Energy: 0.8483451120580471 Energy: 0.8359878560945934 Energy: 0.8453041608921064 Energy: 0.8441443108980431 Energy: 0.8453041608928633 Energy: 1.1404332402468589 Energy: 0.8083337046359955 Energy: 0.843816663557452 Energy: 0.8083337046367525 Energy: 0.8756209649917568 Energy: 0.8640792823184976 Energy: 0.792008454432175 Energy: 0.8640792823177407 minimum gb energy = 0.2657401961063828 eV minimum distance = 2.32296644236726 Angstroms sigma value = 1 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.9167311409339629 Energy: 0.824337924281924 Energy: 0.22659181473488899 Energy: 0.824337924281924 Energy: 0.9306141897825011 Energy: 0.8141655480551474 Energy: 0.8002909380459474 Energy: 0.8141655480551474 Energy: 0.7581091686102582 Energy: 0.8247271310242973 Energy: 0.9872079725346959 Energy: 0.8247271310253439 Energy: 0.7590345537666291 Energy: 0.881829798574554 Energy: 0.7818319388275115 Energy: 0.8818297985724609 Energy: 0.7583458811988506 Energy: 0.9399411119356976 Energy: 1.0670763032332002 Energy: 0.9399411119356976 Energy: 0.7534515901239708 Energy: 0.8958015760040365 Energy: 0.7925391924807026 Energy: 0.89580157600299 Energy: 0.7594761113716834 Energy: 0.9418493502592477 Energy: 0.773968057501443 Energy: 0.9418493502602941 Energy: 0.7624722001262673 Energy: 0.8969029727344457 Energy: 0.7715637893742748 Energy: 0.8969029727333991 Energy: 0.8141158355440804 Energy: 0.8699269725485616 Energy: 0.7746945934717364 Energy: 0.8699269725496082 Energy: 0.8099643060945494 Energy: 0.8697643878400317 Energy: 0.7715846154647577 Energy: 0.8697643878421248 Energy: 0.7621176530125308 Energy: 0.8969106070698569 Energy: 0.7922213853628605 Energy: 0.8969106070698569 Energy: 0.7594948764818883 Energy: 0.9421132780130913 Energy: 0.7484661559523679 Energy: 0.9421132780120448 Energy: 0.753764307659548 Energy: 0.8947275924904537 Energy: 0.7916246030894161 Energy: 0.8947275924935933 Energy: 0.7583924999411285 Energy: 0.9415556304645968 Energy: 1.0605986396660372 Energy: 0.9415556304645968 Energy: 0.7366939093211844 Energy: 0.8830915744754766 Energy: 0.7913089331396048 Energy: 0.8830915744754766 Energy: 0.7581011955634047 Energy: 0.8241912219056577 Energy: 0.8553488661502473 Energy: 0.8241912219056577 Energy: 0.9231342593154137 Energy: 0.814812658365953 Energy: 0.7959479528974225 Energy: 0.814812658365953 Energy: 0.9167311409350094 Energy: 0.8243379242829706 Energy: 0.6321213447719609 Energy: 0.824337924281924 Energy: 0.9304938042154882 Energy: 0.8141655480551474 Energy: 0.8002991270736677 Energy: 0.8141655480551474 Energy: 0.7581091686092116 Energy: 0.8247271310242973 Energy: 0.9872098905045005 Energy: 0.8247271310242973 Energy: 0.7590488311596439 Energy: 0.8818297985735074 Energy: 0.7818319389310747 Energy: 0.8818297985724609 Energy: 0.7583458811988506 Energy: 0.9399411119377908 Energy: 1.0670763032897153 Energy: 0.9399411119356976 Energy: 0.7534515901250174 Energy: 0.8958015760302008 Energy: 0.7925391936994384 Energy: 0.895801576032294 Energy: 0.7594761113706368 Energy: 0.9418493502592477 Energy: 0.7941101346485074 Energy: 0.9418493502602941 minimum gb energy = 0.22659181473488899 eV minimum distance = 2.33291900004794 Angstroms sigma value = 17 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.8963527525951408 Energy: 0.8126758900288453 Energy: 0.8013364262531412 Energy: 0.8126758900288453 Energy: 0.8748140083493737 Energy: 0.8037546846021715 Energy: 0.7784118083557022 Energy: 0.8037546846021715 Energy: 0.7767739620063145 Energy: 0.7699201510380922 Energy: 1.0344237352968255 Energy: 0.7699201510380922 Energy: 0.7091254089681168 Energy: 0.7638795648881327 Energy: 0.779261973392484 Energy: 0.7638795648881327 Energy: 0.7428962450074404 Energy: 0.9229491638465881 Energy: 0.8340638521590823 Energy: 0.9229491638452944 Energy: 0.7134429680144485 Energy: 1.0458222963022676 Energy: 0.8153019296125548 Energy: 1.0458222963022676 Energy: 0.7794651983179935 Energy: 0.8531631666759206 Energy: 0.7855315234745346 Energy: 0.8531631666772144 Energy: 0.7597507991908725 Energy: 1.018093736590742 Energy: 0.7448097401356516 Energy: 1.018093736590742 Energy: 0.7816705465385534 Energy: 1.0502817884314486 Energy: 0.7274276889906168 Energy: 1.0502817884301547 Energy: 0.7831318304862932 Energy: 0.8789029816992634 Energy: 0.7808695715334515 Energy: 0.8789029816979697 Energy: 0.7804047318364861 Energy: 0.8228256766138504 Energy: 0.7455698956825269 Energy: 0.8228256766099693 Energy: 0.7797284098009919 Energy: 0.8685107306096633 Energy: 0.7438371614240608 Energy: 0.8685107306109571 Energy: 0.7151615091404421 Energy: 1.0337635710161859 Energy: 0.7804601971767717 Energy: 1.0337635710155393 Energy: 0.7412467351582507 Energy: 0.891341098311965 Energy: 0.8288104727265273 Energy: 0.8913410983132587 Energy: 0.7450135417690261 Energy: 0.7852686130870291 Energy: 0.8250953576758795 Energy: 0.7852686130870291 Energy: 0.777054043600126 Energy: 1.0013754418681011 Energy: 0.840599309177149 Energy: 1.0013754418674543 Energy: 0.7562273220922118 Energy: 0.7795043193937649 Energy: 0.779034464375143 Energy: 0.7795043193931179 Energy: 0.8013848169723934 Energy: 0.8119766469697856 Energy: 0.7179447312675734 Energy: 0.8119766469691386 Energy: 1.0465931221704594 Energy: 0.8664261634135968 Energy: 0.7793754579388064 Energy: 0.8664261634110093 Energy: 0.8387854721426996 Energy: 0.7708705888600182 Energy: 0.6175733392096199 Energy: 0.7708705888619587 Energy: 0.8515943809608921 Energy: 0.7925558665211115 Energy: 0.775613144443011 Energy: 0.7925558665217585 Energy: 0.7728537570187128 Energy: 1.055597758041375 Energy: 0.8333259362573584 Energy: 1.055597758040728 Energy: 0.7261093601856737 Energy: 0.804866766433273 Energy: 0.8111855713730014 Energy: 0.8048667664358605 Energy: 0.7788171376807304 Energy: 0.8515299382661222 Energy: 0.969079407284392 Energy: 0.8515299382680628 Energy: 0.6924762088941808 Energy: 0.8114129756871555 Energy: 0.7745327440785259 Energy: 0.8114129756884493 Energy: 0.7926967456542702 Energy: 0.8810432472400822 Energy: 0.7580754856090735 Energy: 0.8810432472394353 Energy: 0.9383885231233616 Energy: 0.8584272986197391 Energy: 0.77786496962483 Energy: 0.8584272986190923 Energy: 0.825386114953764 Energy: 1.0197347915661599 Energy: 0.7457366466823666 Energy: 1.0197347915661599 Energy: 0.8268083880632718 Energy: 0.8908884975973258 Energy: 0.7425801776512986 Energy: 0.8908884975992664 Energy: 0.7799464930382103 Energy: 0.8572605803931356 Energy: 0.7255550150340635 Energy: 0.8572605803931356 Energy: 0.7428761062802778 Energy: 0.8922993640386411 Energy: 0.7791832549126676 Energy: 0.8922993640379943 Energy: 0.7446511766962707 Energy: 0.996408244774924 Energy: 0.7799055037119588 Energy: 0.996408244774924 Energy: 0.7781051238384061 Energy: 0.8796353305332708 Energy: 0.9641260095777142 Energy: 0.8796353305332708 Energy: 0.7278034846605289 Energy: 1.0531243696352581 Energy: 0.8148936549549476 Energy: 1.0531243696352581 Energy: 0.7417261758239381 Energy: 0.8114188015063221 Energy: 0.7335288397058374 Energy: 0.8114188015063221 Energy: 0.7878275212284841 Energy: 0.8529768576648843 Energy: 0.7788929592812508 Energy: 0.8529768576655312 Energy: 0.8132120088212292 Energy: 0.8042016622674638 Energy: 0.7132971254566564 Energy: 0.8042016622668169 Energy: 0.9034117406388498 Energy: 0.8899670703880881 Energy: 0.7927217964020147 Energy: 0.8899670703913225 minimum gb energy = 0.6175733392096199 eV minimum distance = 2.3277863643171 Angstroms sigma value = 89 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.7503008965306077 Energy: 0.6977034682272706 Energy: 0.18058385748275846 Energy: 0.6977034682272706 Energy: 0.6675749464703951 Energy: 0.7705072114720016 Energy: 0.7095495788641771 Energy: 0.7705072114720016 Energy: 0.7130665216158355 Energy: 0.9291280032002208 Energy: 1.0218795881230407 Energy: 0.9291280032002208 Energy: 0.6190891264901098 Energy: 0.7681439726905012 Energy: 0.7095338463076635 Energy: 0.7681439726905012 Energy: 0.7329644986406856 Energy: 0.790340996669113 Energy: 0.6672741610925745 Energy: 0.790340996669113 Energy: 0.7041895572019656 Energy: 0.7068859772956685 Energy: 0.7060261045496791 Energy: 0.7068859772956685 Energy: 0.7147583653288866 Energy: 0.9261237132214463 Energy: 0.6730459124391455 Energy: 0.9261237132214463 Energy: 0.559553237719136 Energy: -1.6308086210292982 Energy: 0.681239898931258 Energy: -1.5943298729605233 Energy: 0.6562551764927529 Energy: 0.7774929681196813 Energy: 0.5803670016900822 Energy: 0.7774929681196813 Energy: 0.7544941313904043 Energy: 0.6962279993994561 Energy: 0.700726266408702 Energy: 0.6962279993994561 Energy: 0.7146328525470724 Energy: 0.7685556643587776 Energy: 0.6872565568388479 Energy: 0.7685556643570851 Energy: 0.6858588768803379 Energy: 0.9190557147259399 Energy: 0.6819624405845606 Energy: 0.9190557147276325 Energy: 0.7067408523644447 Energy: 0.7073926498649873 Energy: 0.6286191692441819 Energy: 0.7073926498649873 Energy: 0.7011898367595305 Energy: 0.7947361724668011 Energy: 0.7006591391417558 Energy: 0.7947361724668011 Energy: 0.5649499283989792 Energy: 0.7071804175520345 Energy: 0.7066821368399667 Energy: 0.7071804175520345 minimum gb energy = -1.6308086210292982 eV minimum distance = 2.33785251651524 Angstroms sigma value = 13 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.740207612122125 Energy: 0.6464805079928455 Energy: 0.4147360136855753 Energy: 0.646480507990008 Energy: 0.9880363402231495 Energy: 0.6976333439603954 Energy: 0.6014174704999516 Energy: 0.6976333439632328 Energy: 0.6541793404615164 Energy: 0.8117732138561105 Energy: 0.9417610977180434 Energy: 0.8117732138539822 Energy: 0.626200491326322 Energy: 0.6977372106156327 Energy: 0.6057234981561207 Energy: 0.6977372106142138 Energy: 0.6544395565460285 Energy: 0.810758481026812 Energy: 0.6232757712894091 Energy: 0.8107584810261027 Energy: 0.5508376624841708 Energy: 0.6972523958724398 Energy: 0.644354788895461 Energy: 0.6972523958738587 Energy: 0.6547461026955448 Energy: 0.7264519597660218 Energy: 0.8560903756955832 Energy: 0.7264519597653124 Energy: 0.5439567600853252 Energy: 0.8647491547457307 Energy: 0.6438163761938005 Energy: 0.8647491547464401 Energy: 0.6548605486363782 Energy: 0.7336722988263878 Energy: 0.8012487615588879 Energy: 0.7336722988263878 Energy: 0.7422408697373347 Energy: 0.8648991999321113 Energy: 0.6024294856659222 Energy: 0.8648991999321113 Energy: 0.654821455716042 Energy: 0.7728041577574954 Energy: 0.5618410483712892 Energy: 0.7728041577539484 Energy: 0.785286044362602 Energy: 0.7605423197416462 Energy: 0.6026382207482752 Energy: 0.7605423197402275 Energy: 0.7068862650514205 Energy: 0.6750565710640561 Energy: 0.5082214704437287 Energy: 0.6750565710676031 Energy: 1.0023094514227653 Energy: 0.7607828523118073 Energy: 0.6032993577732032 Energy: 0.7607828523139355 Energy: 0.6553285355144038 Energy: 0.6460962919288645 Energy: 0.5084821356815357 Energy: 0.6460962919288645 Energy: 0.6068199609248675 Energy: 0.7609040045696827 Energy: 0.6042350800607446 Energy: 0.7609040045711013 Energy: 0.6012676376835999 Energy: 0.6443937123775458 Energy: 0.6040174803417557 Energy: 0.6443937123747083 Energy: 0.6021693138526717 Energy: 0.732052505570006 Energy: 0.6546220175261317 Energy: 0.7320525055678777 Energy: 0.6013348326506464 Energy: 0.6749948919272216 Energy: 0.6550422835191394 Energy: 0.6749948919272216 Energy: 0.6011595629392776 Energy: 0.6759084267644614 Energy: 0.6541445092566313 Energy: 0.6759084267637518 Energy: 0.6022469191748028 Energy: 0.7321884996620912 Energy: 0.6537517315348671 Energy: 0.7321884996606723 Energy: 0.6020806632570403 Energy: 0.6442197977389349 Energy: 0.6034929703716306 Energy: 0.6442197977382255 Energy: 0.6068286848236756 Energy: 0.7608631280478619 Energy: 0.604154418093856 Energy: 0.7608631280443149 Energy: 0.6553844732193869 Energy: 0.6462990188682787 Energy: 0.5345477335148844 Energy: 0.6462990188689881 Energy: 1.0026228281585299 Energy: 0.760723832808599 Energy: 0.6038072130327867 Energy: 0.7607238328121462 Energy: 0.7422091526680191 Energy: 0.6752874191012903 Energy: 0.5750018224381814 Energy: 0.675287419100581 Energy: 0.7880343462680727 Energy: 0.7605306722728616 Energy: 0.6008997418620883 Energy: 0.7605306722728616 Energy: 0.6546237295805436 Energy: 0.7537429158119033 Energy: 0.5610061346503972 Energy: 0.753742915818288 Energy: 0.7416093009199672 Energy: 0.8649601792072351 Energy: 0.6025086007096003 Energy: 0.8649601792114916 Energy: 0.654771946306985 Energy: 0.7332762708941388 Energy: 0.8009830337391666 Energy: 0.7332762708898826 Energy: 0.5456149682643584 Energy: 0.8646469518432612 Energy: 0.6441720762980021 Energy: 0.8646469518425519 Energy: 0.6547559663266777 Energy: 0.7265042460168266 Energy: 0.9977238112665764 Energy: 0.726504246013989 Energy: 0.5513374389429873 Energy: 0.6966245988437801 Energy: 0.6429953700405155 Energy: 0.6966245988444896 Energy: 0.6549123164367223 Energy: 0.8107764603653925 Energy: 0.9593585765102983 Energy: 0.8107764603653925 Energy: 0.625975698506982 Energy: 0.6980200925509219 Energy: 0.6059605544242175 Energy: 0.6980200925537595 minimum gb energy = 0.4147360136855753 eV minimum distance = 2.33990420389926 Angstroms sigma value = 37 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.6619935674945604 Energy: 0.6502051019507431 Energy: 0.41648191650720995 Energy: 0.6502051019507431 Energy: 1.147478129227226 Energy: 0.6446204741293008 Energy: 0.5045032921925889 Energy: 0.6446204741305213 Energy: 0.5288895076724713 Energy: 0.8877820471682675 Energy: 0.6438125937180093 Energy: 0.8877820471707084 Energy: 0.445316477585036 Energy: 0.596947190527726 Energy: 0.5036930104706019 Energy: 0.5969471905131077 Energy: 0.4952706184865558 Energy: 0.6431087858381584 Energy: 0.43031974484748486 Energy: 0.6431087858381584 Energy: 0.3889267904874538 Energy: 0.6428723830952564 Energy: 0.4960371383237619 Energy: 0.6428723830952564 Energy: 0.5737945245699089 Energy: 0.7171890992778731 Energy: 0.8247166160545296 Energy: 0.7171890992766526 Energy: 0.49548755562343016 Energy: 0.6508631430047741 Energy: 0.6602832392810337 Energy: 0.6508631430059946 Energy: 0.5018152670516225 Energy: 0.6432312509173899 Energy: 0.7705623359806553 Energy: 0.6432312509173899 Energy: 0.668882991661445 Energy: 0.6841297192054575 Energy: 0.5175280411720219 Energy: 0.6841297191615192 Energy: 0.5755622394904032 Energy: 0.7181098010515844 Energy: 0.49617766793275536 Energy: 0.7181098010515844 Energy: 0.7723929639769832 Energy: 0.6442378280125024 Energy: 0.500090457711677 Energy: 0.6442378280125024 Energy: 0.45595918425934623 Energy: 0.6427344584817422 Energy: 0.3548153364060347 Energy: 0.6427344584817422 Energy: 0.8326269570234092 Energy: 0.7183705447177815 Energy: 0.5050134166788549 Energy: 0.7183705447177815 Energy: 0.5539229025692548 Energy: 0.6648090420499317 Energy: 0.5030086603380037 Energy: 0.664809042048711 Energy: 0.5535297052842434 Energy: 0.6429823950217821 Energy: 0.5113130308420843 Energy: 0.6429823950217821 Energy: 0.4918250140972895 Energy: 0.6896815906037898 Energy: 0.4259491887243824 Energy: 0.6896815906354951 Energy: 0.5110180945269704 Energy: 0.7019443569525399 Energy: 0.4265465046947141 Energy: 0.7019443569537603 Energy: 0.5126706223086824 Energy: 0.644082143905093 Energy: 0.4980888773602196 Energy: 0.6440821439063135 Energy: 0.5032693750703578 Energy: 0.6305059297224509 Energy: 0.5032759238645398 Energy: 0.6305059297224509 minimum gb energy = 0.3548153364060347 eV minimum distance = 2.3664573263896 Angstroms sigma value = 25 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.7214723406221897 Energy: 0.44630884097130685 Energy: 0.1904388357170893 Energy: 0.44630884097130685 Energy: 1.195893099224611 Energy: 0.5930464408965711 Energy: 0.42430963951122985 Energy: 0.593046440893712 Energy: 0.5752772730508029 Energy: 0.5503655160205052 Energy: 0.51895993119025 Energy: 0.5503655160195521 Energy: 0.7246892108787414 Energy: 0.5374802005241069 Energy: 0.4187411676064849 Energy: 0.53748020052506 Energy: 0.46663296103749496 Energy: 0.4964380864061346 Energy: 0.3449402457772318 Energy: 0.4964380864061346 Energy: 0.4296455570438699 Energy: 0.574152179890221 Energy: 0.45853937379000564 Energy: 0.5741521798883151 Energy: 0.43018083227533827 Energy: 0.42463443089974745 Energy: 0.5212230051186412 Energy: 0.42463443089974745 Energy: 0.23509232707551359 Energy: 0.6697654342688928 Energy: 0.5557664315310047 Energy: 0.6697654342669866 Energy: 0.4304327213484878 Energy: 0.5087542728800043 Energy: 0.9848093344575386 Energy: 0.5087542728800043 Energy: 0.16619084223793756 Energy: 0.4153548090991644 Energy: 0.5931137765425445 Energy: 0.4153548090982114 Energy: 0.4252023914255785 Energy: 0.4264587600722027 Energy: 0.9022963225586514 Energy: 0.4264587600722027 Energy: 0.5189707215657825 Energy: 0.9522554327521418 Energy: 0.557837004248827 Energy: 0.9522554327607192 Energy: 0.418714180762916 Energy: 0.5397906411669537 Energy: 0.7432438424043394 Energy: 0.5397906411669537 Energy: 0.6222003601028392 Energy: 0.7649255801890805 Energy: 0.45997906123169074 Energy: 0.7649255801881275 Energy: 0.44559691913677607 Energy: 0.4248205731388337 Energy: 0.43016085962985506 Energy: 0.4248205731397868 Energy: 0.7590366446997608 Energy: 0.8637057058277818 Energy: 0.3864851386473727 Energy: 0.8637057058373124 Energy: 0.5624026537618172 Energy: 0.575478670461717 Energy: 0.27078525925472874 Energy: 0.5754786704598109 Energy: 0.8220159570785526 Energy: 0.5046217712087279 Energy: 0.43063332485917216 Energy: 0.504621771209681 Energy: 0.716967952384769 Energy: 0.45994217760904305 Energy: 0.3057364985482792 Energy: 0.45994217760999606 Energy: 1.0391505263776655 Energy: 0.6617841636265905 Energy: 0.41781559397967943 Energy: 0.6617841636132478 Energy: 0.5622808801520939 Energy: 0.8672812878745567 Energy: 0.294833457906899 Energy: 0.8672812878726506 Energy: 0.5620973666411785 Energy: 0.5397835304678882 Energy: 0.42565514776723984 Energy: 0.5397835304688412 Energy: 0.44469061276510463 Energy: 0.7608104793905865 Energy: 0.620287517989333 Energy: 0.7608104793905865 Energy: 0.4492312624063449 Energy: 0.6629044175872726 Energy: 0.4539276616456817 Energy: 0.6629044175872726 Energy: 0.4071761206672761 Energy: 0.8671142951406322 Energy: 0.7511625157184414 Energy: 0.8671142951406322 Energy: 0.3227688561448957 Energy: 0.5756042121053859 Energy: 0.5534572000360813 Energy: 0.5756042121044328 minimum gb energy = 0.16619084223793756 eV minimum distance = 2.34201826787014 Angstroms sigma value = 41 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.7133067620295451 Energy: 0.38967360327949896 Energy: 0.11988450663335967 Energy: 0.38967360327949896 Energy: 1.0068237375024545 Energy: 0.31184306910665033 Energy: 0.25551440441687 Energy: 0.311843069105869 Energy: 0.4210590425700232 Energy: 0.20942311357324467 Energy: 0.6281653483859679 Energy: 0.20942311357246332 Energy: 0.644812500961058 Energy: 0.3119980760224207 Energy: 0.2519875442492955 Energy: 0.311998076020858 Energy: 0.2513680795646846 Energy: 0.7579013234187038 Energy: 0.11745038598941956 Energy: 0.7579013234187038 Energy: 0.4130590947366859 Energy: 0.31170247939062057 Energy: 0.2513512032528015 Energy: 0.3117024793914019 Energy: 0.2532283971621672 Energy: 0.3097131540689473 Energy: 0.1930256347369974 Energy: 0.3097131540689473 Energy: 0.12113404888882628 Energy: 0.39960000175292826 Energy: 0.2543977672450123 Energy: 0.39960000175292826 Energy: 0.24967782351961432 Energy: 0.5443516075953099 Energy: 0.5398624037613522 Energy: 0.5443516075953099 Energy: 0.0920626956732204 Energy: 0.19192481668763497 Energy: 0.42415903874264266 Energy: 0.19192480989214344 Energy: 0.25289433920622406 Energy: 0.3080645581292617 Energy: 0.817352753063356 Energy: 0.3080645581292617 Energy: 0.11177739761157274 Energy: 0.38686806087528247 Energy: 0.696924420275241 Energy: 0.3868680608823146 Energy: 0.249809917498374 Energy: 0.5305166780841337 Energy: 0.836853409068808 Energy: 0.530516678084915 Energy: 0.2823267413937815 Energy: 0.5009419085804449 Energy: 0.42131433344709457 Energy: 0.5009419085788822 Energy: 0.23168267790458463 Energy: 0.31199039813956936 Energy: 0.650787065074792 Energy: 0.3119903981411321 Energy: 0.39944773421561935 Energy: 0.4085360660986225 Energy: 0.2547351226086149 Energy: 0.40853606609784116 Energy: 0.24733078349026794 Energy: 0.3949597686402823 Energy: 0.5405683631015715 Energy: 0.3949597686402823 Energy: 0.3746350611803507 Energy: 0.4989884903463923 Energy: 0.24682417302993864 Energy: 0.4989884903463923 Energy: 0.25132227954263275 Energy: 0.4069401688964193 Energy: 0.07863269211700653 Energy: 0.4069401688964193 Energy: 0.4688105633961018 Energy: 0.4085611453105594 Energy: 0.25215287241310863 Energy: 0.4085611453058714 Energy: 0.420349488920142 Energy: 0.3899133753826399 Energy: 0.13646989410423008 Energy: 0.3899133753842026 Energy: 0.8038090414097828 Energy: 0.7574794911853093 Energy: 0.25026679564056403 Energy: 0.757479491182184 Energy: 0.7043342321091978 Energy: 0.3961466006883112 Energy: 0.10424207908212087 Energy: 0.3961466006883112 Energy: 0.6967136503822944 Energy: 0.3916592868602318 Energy: 0.24969609474037385 Energy: 0.3916592868625759 Energy: 0.42431153882088524 Energy: 0.499881630809842 Energy: 0.1488221477463189 Energy: 0.49988163081374876 Energy: 0.6535470601584842 Energy: 1.0110783320360466 Energy: 0.21529257843893418 Energy: 1.011078332035265 Energy: 0.25609456691154076 Energy: 0.4081807122063321 Energy: 0.3783850675992358 Energy: 0.4081807122039881 Energy: 0.21086859902743144 Energy: 0.39424305742153376 Energy: 0.2277739764375071 Energy: 0.3942430574207524 Energy: 0.24784429230987512 Energy: 0.49829657537892486 Energy: 0.3812002062167275 Energy: 0.49829657538126887 Energy: 0.1278221553750781 Energy: 0.9715927589067628 Energy: 0.25156117431186514 Energy: 0.9715927589052001 Energy: 0.2407305573891161 Energy: 0.40820864051555744 Energy: 0.43796187294547556 Energy: 0.40820864051399475 Energy: 0.1481314812213865 Energy: 0.3927290294242967 Energy: 0.41936479833338436 Energy: 0.3927290294242967 minimum gb energy = 0.07863269211700653 eV minimum distance = 2.34484513355806 Angstroms sigma value = 15 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.6605880919608882 Energy: 0.2599946756274632 Energy: 0.024783702916558473 Energy: 0.2599946756274632 Energy: 0.9413913968145817 Energy: 0.2847899652617973 Energy: 0.3065284822652347 Energy: 0.28478996526047345 Energy: 0.43058743889078854 Energy: 0.2226460166300974 Energy: 0.21263437115952605 Energy: 0.22264593833689625 Energy: 0.6241247881109561 Energy: 0.28680587962152204 Energy: 0.3115161582717742 Energy: 0.286805879622184 Energy: 0.29991127984983085 Energy: 0.6009089135310776 Energy: 0.04320000792670236 Energy: 0.6009089135218108 Energy: 0.4676292033812091 Energy: 0.2823855521250065 Energy: 0.3093938342400023 Energy: 0.28238555212566846 Energy: 0.30078915503052983 Energy: 0.43698415109545924 Energy: 0.10090315368061359 Energy: 0.43698415109545924 Energy: 0.259592006089924 Energy: 0.44501551544461776 Energy: 0.30182541349769854 Energy: 0.44501551544594165 Energy: 0.2989376204589057 Energy: 0.3471793809455564 Energy: 0.43972414784784086 Energy: 0.3471793809488659 Energy: -0.06979958428006418 Energy: 0.2843125966537684 Energy: 0.30639183413431315 Energy: 0.28431259665443026 Energy: 0.30218188297512477 Energy: 0.2595280994331346 Energy: 0.5970086965696375 Energy: 0.25952809943379646 Energy: -0.00499381897249881 Energy: 0.2548047087402463 Energy: 0.4329348494415005 Energy: 0.25480470874090816 Energy: 0.3074122331216033 Energy: 0.3562453812242601 Energy: 0.7859468219170997 Energy: 0.3562453810793616 Energy: -0.03439677641504238 Energy: 0.296337644739333 Energy: 0.665369019211115 Energy: 0.29633764473800916 Energy: 0.3046897859274704 Energy: 0.3892906318529378 Energy: 0.7494512358851904 Energy: 0.38929063184896634 Energy: 0.18629073174065064 Energy: 0.2568113599696237 Energy: 0.43117776436208 Energy: 0.2568113599696237 Energy: 0.29561681249409244 Energy: 0.3567027026681637 Energy: 0.6264112235250372 Energy: 0.3567027020608296 Energy: 0.2074673919096105 Energy: 0.5935472154918815 Energy: 0.29897660859444525 Energy: 0.5935472154918815 Energy: 0.30209535689215655 Energy: 0.28377796670159317 Energy: 0.46824979451907445 Energy: 0.28377796671416955 Energy: 0.2002268271138258 Energy: 0.27111818852742076 Energy: 0.30675455174980976 Energy: 0.27111818860877573 Energy: 0.30206645069795907 Energy: 0.5420792502057695 Energy: 0.374782852425613 Energy: 0.5420792502031218 Energy: 0.341789080824686 Energy: 0.3420148257249184 Energy: 0.3001063414436903 Energy: 0.3420148257249184 Energy: 0.3180250912948725 Energy: 0.28684118624432514 Energy: -0.026086630792561055 Energy: 0.28684118624564897 Energy: 0.6567537010668497 Energy: 0.276363527126616 Energy: 0.3051127208287443 Energy: 0.2763635271259541 Energy: 0.4271865562314111 Energy: 0.41282504179721974 Energy: -0.04413901754336992 Energy: 0.412825041795234 Energy: 0.7301927325216502 Energy: 0.35863664066838413 Energy: 0.3047944528802736 Energy: 0.35863664066639844 Energy: 0.6605285422104012 Energy: 0.29567047524203627 Energy: -0.03612846449867518 Energy: 0.2956704752453458 Energy: 0.7991976752026435 Energy: 0.2857040095879792 Energy: 0.30329660961575183 Energy: 0.28570400976856075 Energy: 0.43246728097854864 Energy: 0.6736716978757731 Energy: 0.03397488914691179 Energy: 0.6736716978770969 Energy: 0.5227733603506051 Energy: 0.3489663039193279 Energy: 0.2965099195407177 Energy: 0.348966303918666 Energy: 0.30289625040977625 Energy: 0.5915698138285048 Energy: 0.21041629581929275 Energy: 0.5915698138271811 Energy: 0.4705655543836326 Energy: 0.2894329385221288 Energy: 0.2937872923395808 Energy: 0.2894329385221288 Energy: 0.30622314678422297 Energy: 0.6726289984333949 Energy: 0.20533665258355402 Energy: 0.6726289984353805 Energy: 0.08553909195401131 Energy: 0.41323401922425934 Energy: 0.2933258589521797 Energy: 0.4132340192216117 Energy: 0.06961058722297006 Energy: 0.5894610502659041 Energy: 0.31345617744970133 Energy: 0.5894610502672278 Energy: -0.020435259477662622 Energy: 0.28611368497550105 Energy: 0.3091500876103308 Energy: 0.2861136849741773 Energy: 0.2929549044496223 Energy: 0.6714766720926337 Energy: 0.656784620076485 Energy: 0.6714766720926337 minimum gb energy = -0.06979958428006418 eV minimum distance = 2.26655858160772 Angstroms sigma value = 85 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.7342653215856642 Energy: 0.43126186007262385 Energy: 0.04412329844283242 Energy: 0.431261860073772 Energy: 0.957604275055869 Energy: 0.4298777648809027 Energy: 0.3314435427802018 Energy: 0.4298777648826249 Energy: 0.6391919878200308 Energy: 0.5404412179279171 Energy: 0.018407894911857754 Energy: 0.5404412179284912 Energy: 0.6188213359487621 Energy: 0.430503981941707 Energy: 0.33128562747374923 Energy: 0.43050398213681496 Energy: 0.4377016948919017 Energy: 0.3231629349110636 Energy: -0.02462143691286581 Energy: 0.32316293491163767 Energy: 0.47990890960783733 Energy: 0.4330452822148164 Energy: 0.331327874683724 Energy: 0.43304528221137195 Energy: 0.33166140406326466 Energy: 0.6897989917822794 Energy: 0.1716200185974809 Energy: 0.6897989917822794 Energy: 0.2742747041788363 Energy: 0.5353677567661888 Energy: 0.33119140943092673 Energy: 0.5353677567656147 Energy: 0.3328099408068584 Energy: 0.38860672829319726 Energy: 0.4215500218298253 Energy: 0.38860672829377135 Energy: 0.1796787551950176 Energy: 0.583327233382232 Energy: 0.33172038812083193 Energy: 0.583327233381658 Energy: 0.3299558663257315 Energy: 0.5409578667032152 Energy: 0.4906688195456085 Energy: 0.5409578667032152 Energy: -0.07826883726495906 Energy: 0.4297033119470383 Energy: 0.43804525610571243 Energy: 0.4297033119476124 Energy: 0.3291784004837835 Energy: 0.3864763283761871 Energy: 0.6257471787119756 Energy: 0.38647632837733525 Energy: -0.08932679574301501 Energy: 0.5390330462622251 Energy: 0.6386225716363361 Energy: 0.5390330462633732 Energy: 0.33028509556288255 Energy: 0.5350916607806752 Energy: 0.766265369880221 Energy: 0.535091660779527 Energy: -0.03898409067551979 Energy: 0.43180795969119457 Energy: 0.7339919115591075 Energy: 0.4318079596917686 Energy: 0.33123113018101996 Energy: 0.38786432206162785 Energy: 0.8259593619169189 Energy: 0.38786432206162785 Energy: 0.0014896054169258727 Energy: 0.5387960827522158 Energy: 0.6385009999187486 Energy: 0.5387960827522158 Energy: 0.3298100187383768 Energy: 0.5350351379244778 Energy: 0.5470438717238573 Energy: 0.5350351379233297 Energy: 0.1078137348247543 Energy: 0.4284534861702987 Energy: 0.4376809882015365 Energy: 0.4284534860917023 Energy: 0.3323212588240002 Energy: 0.38717194708492836 Energy: 0.4551266977175097 Energy: 0.38717194708435426 Energy: 0.11911962270953261 Energy: 0.4340703014197031 Energy: 0.3314535443229757 Energy: 0.43407030141568453 Energy: 0.3312536973502418 Energy: 0.42977053590888015 Energy: 0.30880247511369 Energy: 0.42977053590945413 Energy: 0.31756027651771596 Energy: 0.46416624043567023 Energy: 0.3318190108966195 Energy: 0.46416624043567023 Energy: 0.3322781617601995 Energy: 0.4346777554640563 Energy: 0.16692374690608128 Energy: 0.43467775546463033 Energy: 0.450531179120649 Energy: 0.43372600494040464 Energy: 0.3303762027284331 Energy: 0.4337260049375342 Energy: 0.43698687814338333 Energy: 0.4297042957619595 Energy: -0.04352016924466305 Energy: 0.4297042957677002 Energy: 0.6702467899467711 Energy: 0.4629534887970566 Energy: 0.33057055311571126 Energy: 0.4629534887959084 Energy: 0.6373187096245156 Energy: 0.4349464866943455 Energy: -0.12112352780837242 Energy: 0.4349464866943455 Energy: 0.7606540192967978 Energy: 0.6325800181208062 Energy: 0.3294479276153939 Energy: 0.6325800181208062 Energy: 0.7347464979841261 Energy: 0.43197524084400324 Energy: -0.08230008127353024 Energy: 0.43197524084400324 Energy: 0.7950621284665274 Energy: 0.4630280027961238 Energy: 0.33125901645415 Energy: 0.4630280027984201 Energy: 0.6372319083762842 Energy: 0.43418225941233657 Energy: -0.0869232631530479 Energy: 0.4341822594134847 Energy: 0.5650951056923569 Energy: 0.6324650825647761 Energy: 0.3301672425731095 Energy: 0.6324650825647761 Energy: 0.43778689311702174 Energy: 0.4282733515560453 Energy: 0.11691043689521963 Energy: 0.4282733515560453 Energy: 0.42722872017449715 Energy: 0.46242446063965054 Energy: 0.33071993648484876 Energy: 0.46242446063965054 Energy: 0.3307920152715163 Energy: 0.4340662755179273 Energy: 0.14977435159581365 Energy: 0.4340662755185014 Energy: 0.3349883849948754 Energy: 0.4301502608509541 Energy: 0.3292675077821613 Energy: 0.43015026085038005 Energy: 0.3302252272835492 Energy: 0.4292717527521779 Energy: 0.3012234452016996 Energy: 0.42927175275045565 Energy: 0.15795411662834413 Energy: 0.6101177831383022 Energy: 0.329945319606431 Energy: 0.6101177833598176 Energy: 0.3276323853152439 Energy: 0.43370125687800537 Energy: 0.47617121331684115 Energy: 0.4337012568774313 Energy: -0.037201283434999156 Energy: 0.4298013208126896 Energy: 0.4372700895835342 Energy: 0.4298013208132637 Energy: 0.33005460194995995 Energy: 0.42964266105671456 Energy: 0.6720629660577563 Energy: 0.42964266105614046 minimum gb energy = -0.12112352780837242 eV minimum distance = 2.32851991830537 Angstroms sigma value = 113 ======================================== theta = 90.0 ======================================== Energy: 0.018225999302240864 Energy: 0.018817740684735122 Energy: -0.04711438118110824 Energy: 0.018817740684735122 Energy: 0.6089640223687733 Energy: -3.3580041849294266 Energy: -3.3581658901511386 Energy: -3.3580041849294266 Energy: 0.018225999302240864 Energy: 0.018817740684735122 Energy: -0.04587371850967434 Energy: 0.018817740684735122 Energy: 0.608964022369656 Energy: -3.3580041849294266 Energy: -3.35816589015158 Energy: -3.3580041849298192 Energy: 0.018225999302240864 Energy: 0.018817740684293798 Energy: -0.04814881384952356 Energy: 0.018817740684293798 Energy: 0.6089640223692147 Energy: -3.3580041849298192 Energy: -3.35816589015158 Energy: -3.3580041849294266 minimum gb energy = -3.35816589015158 eV minimum distance = 2.47447303381073 Angstroms sigma value = 1