model_name=EAM_Dynamo_MishinFarkasMehl_1999_Al__MO_651801486679_005 a1=[1, 0, 0] a2=[0, 1, 0] a3=[0, 0, 1] species=Al theta_min=0.0 theta_max=90.0 max_denominator=15 short_name=fcc cutoff_distance=0.5 x_repeat=1 z_repeat=1 min_cell_height=10.0 offset_top=[0.0, 0.0, 0.0] offset_bottom=[0.0, 0.0, 0.0] a=4.050004702806472 cohesive_energy=3.360264241210405 mass=26.981538 Isolated atom energy: 1.04222210722815e-10 eV ======================================== theta = 0.0 ======================================== Energy: 0.010326191089944295 Energy: 0.010326191090444012 Energy: 0.010326191088972626 Energy: 0.010326191088000954 Energy: 0.010326191088000954 Energy: 0.010326191086057618 Energy: 0.01032619108850067 Energy: 0.010326191085058185 Energy: 0.010326191089944295 Energy: 0.01032619108652957 Energy: 0.010326191087029285 Energy: 0.010326191088000954 Energy: 0.01032619108750124 Energy: 0.010326191095330119 Energy: 0.01032619108652957 Energy: 0.010326191085058185 Energy: 0.010326191087029285 Energy: 0.010326191087029285 Energy: 0.01032619108750124 Energy: 0.01032619108850067 Energy: 0.010326191087029285 Energy: 0.01032619109141568 Energy: 0.01032619108652957 Energy: 0.010326191087029285 Energy: 0.010326191088972626 Energy: 0.010326191088972626 Energy: 0.01032619108652957 Energy: 0.010326191088972626 Energy: 0.01032619108750124 Energy: 0.010326191088000954 minimum gb energy = 0.010326191085058185 eV minimum distance = 2.86368522602763 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.43132417305305676 Energy: 0.3982052002951424 Energy: 0.39820520057288594 Energy: 0.3898040423562784 Energy: 0.39821363085194733 Energy: 0.39821363078047267 Energy: 0.39035025964921327 Energy: 0.4501152841400895 Energy: 0.4501159095786735 Energy: 0.40247755159152604 Energy: 0.38458279638855875 Energy: 0.38458279632845976 Energy: 0.4056386214644503 Energy: 0.3985640229254509 Energy: 0.3985640225193543 Energy: 0.36968103712708755 Energy: 0.4067314366659264 Energy: 0.4067315432219638 Energy: 0.3902634738811196 Energy: 0.39856402294625215 Energy: 0.3985640229657533 Energy: 0.4035901914081791 Energy: 0.4384885554662056 Energy: 0.4384883562123547 Energy: 0.3982090880939976 Energy: 0.43850454047210574 Energy: 0.4385038276080796 Energy: 0.3963634557128254 Energy: 0.41326526239601113 Energy: 0.4132651845517778 minimum gb energy = 0.36968103712708755 eV minimum distance = 2.58543101884757 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.44444524202955077 Energy: 0.41500093539693433 Energy: 0.4150009356168517 Energy: 0.3822691658822977 Energy: 0.41709789326234825 Energy: 0.41709812844230065 Energy: 0.3968236025433 Energy: 0.4154398186997808 Energy: 0.41543953180195464 Energy: 0.39672728656661765 Energy: 0.41752653213908325 Energy: 0.4175265544590397 Energy: 0.3831916594763545 Energy: 0.4150087100667368 Energy: 0.4150087068177568 Energy: 0.41416272085281286 Energy: 0.41752688568429275 Energy: 0.4175266066818153 Energy: 0.3868505972129646 Energy: 0.4154398503946626 Energy: 0.4154397188606277 Energy: 0.39310595242499796 Energy: 0.4175265649617183 Energy: 0.4175265326526881 Energy: 0.3973418697812112 Energy: 0.41543961239024774 Energy: 0.41543960031200594 Energy: 0.3844628405943191 Energy: 0.42684961338508265 Energy: 0.42684982888234707 minimum gb energy = 0.3822691658822977 eV minimum distance = 2.62558200165614 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.4584693629238265 Energy: 0.4246287683678886 Energy: 0.42462894947483454 Energy: 0.4098362747422336 Energy: 0.42464271554054295 Energy: 0.424642569249404 Energy: 0.43229707846093574 Energy: 0.4115728527047849 Energy: 0.4115727892211409 Energy: 0.4113552398462508 Energy: 0.5140501197988102 Energy: 0.5140511698195205 Energy: 0.4203805174534318 Energy: 0.4292692474792399 Energy: 0.42926890953933977 Energy: 0.39612168374518675 Energy: 0.4345380266358729 Energy: 0.43453803512461736 Energy: 0.41092234295611807 Energy: 0.41542941955877166 Energy: 0.41542934991216773 Energy: 0.4203878007633926 Energy: 0.5284851480979152 Energy: 0.5284845407252482 Energy: 0.4662272659169695 Energy: 0.41542932568839225 Energy: 0.41542944742648896 Energy: 0.40683759674875275 Energy: 0.4345380222285366 Energy: 0.4345380602080635 minimum gb energy = 0.39612168374518675 eV minimum distance = 2.62623063186864 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.47308975397158026 Energy: 0.44412913476994254 Energy: 0.44412958346179426 Energy: 0.4270754918021193 Energy: 0.4918326334925676 Energy: 0.49183289477914344 Energy: 0.4596798076492631 Energy: 0.4408106672899699 Energy: 0.4408106388082713 Energy: 0.427228869835771 Energy: 0.44411402752374746 Energy: 0.4441140112137794 Energy: 0.43827208509769755 Energy: 0.5004663677484477 Energy: 0.5004663508013112 Energy: 0.4385378709164644 Energy: 0.447948158084082 Energy: 0.4479481790745244 Energy: 0.4382735323267454 Energy: 0.5397223187781195 Energy: 0.539722464771934 Energy: 0.41696365564808346 Energy: 0.44481882169229625 Energy: 0.44481862888254303 Energy: 0.43629540621792495 Energy: 0.43695104081153846 Energy: 0.4369510410589471 Energy: 0.43234318184442183 Energy: 0.4602504534462793 Energy: 0.46025005567046146 minimum gb energy = 0.41696365564808346 eV minimum distance = 2.58834997802071 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.48864757805896686 Energy: 0.46709847292474543 Energy: 0.4670983253297989 Energy: 0.4587631695939536 Energy: 0.5085848066015155 Energy: 0.5085847688431986 Energy: 0.4438920567465692 Energy: 0.4568198508776414 Energy: 0.4568196017867434 Energy: 0.4393255162890757 Energy: 0.48248297622245173 Energy: 0.482482860020335 Energy: 0.5031859259647695 Energy: 0.46930628422290754 Energy: 0.46930626788070645 Energy: 0.42331851369469103 Energy: 0.4671068833322926 Energy: 0.4671068818607571 Energy: 0.4562958571093978 Energy: 0.45325717842135577 Energy: 0.45325744734803186 Energy: 0.45629604880293345 Energy: 0.49636758189984975 Energy: 0.4963675830499448 Energy: 0.4335089947631501 Energy: 0.45594251580345313 Energy: 0.4559425546159117 Energy: 0.45629619890057393 Energy: 0.4502405448700309 Energy: 0.4502405121551054 minimum gb energy = 0.42331851369469103 eV minimum distance = 2.57626850947344 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.48384172677428605 Energy: 0.4784493174903485 Energy: 0.478449008727779 Energy: 0.45210242004170603 Energy: 0.47960379811865406 Energy: 0.47960376021736334 Energy: 0.4643181438853427 Energy: 0.5422689366103246 Energy: 0.542268131229046 Energy: 0.4515839634718812 Energy: 0.531558996227625 Energy: 0.531558996600839 Energy: 0.4646780429754137 Energy: 0.4852513786977686 Energy: 0.48525142450773606 Energy: 0.46467797787195136 Energy: 0.4976939243529844 Energy: 0.4976942138094181 Energy: 0.4593192806375088 Energy: 0.49769398707521834 Energy: 0.4976940520649573 Energy: 0.46456702013531365 Energy: 0.48525135773981604 Energy: 0.4852513794451911 Energy: 0.4643185841747435 Energy: 0.5397009228057938 Energy: 0.5397003092155568 Energy: 0.4795477084540874 Energy: 0.47844931234831306 Energy: 0.47844898798803553 minimum gb energy = 0.4515839634718812 eV minimum distance = 2.59904973833608 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.5023035630032705 Energy: 0.5038847206621315 Energy: 0.5038847160432248 Energy: 0.49097698914890053 Energy: 0.5046711756079277 Energy: 0.5046711756882761 Energy: 0.45788202872586947 Energy: 0.50467117553945 Energy: 0.5046711783278545 Energy: 0.45842276149891437 Energy: 0.5046711755173271 Energy: 0.50467182219564 Energy: 0.47464151461437026 Energy: 0.5038791723218545 Energy: 0.5038791683237597 Energy: 0.46340490078378066 Energy: 0.5038791705592904 Energy: 0.5038791682897662 Energy: 0.5073198443941523 Energy: 0.5046711755281188 Energy: 0.5046711755399895 Energy: 0.4631186516044908 Energy: 0.5046711755389104 Energy: 0.5046711760787851 Energy: 0.4848480208535408 Energy: 0.5046711755416083 Energy: 0.5046711755049168 Energy: 0.48535107857955817 Energy: 0.5038847427470602 Energy: 0.5038847140196021 minimum gb energy = 0.45788202872586947 eV minimum distance = 2.6013147274416 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.5356388571461378 Energy: 0.5271801010424416 Energy: 0.5271801011375633 Energy: 0.5008196298572961 Energy: 0.4852269522966143 Energy: 0.4852269295902302 Energy: 0.5003732858822205 Energy: 0.49389925630202564 Energy: 0.4938992715179696 Energy: 0.5587005370195298 Energy: 0.4902742922728409 Energy: 0.49027425921189277 Energy: 0.508697838419216 Energy: 0.5069799337761052 Energy: 0.5069797473648624 Energy: 0.5195871489298085 Energy: 0.5069822259423555 Energy: 0.506981264628829 Energy: 0.5587000178198461 Energy: 0.49559416139846185 Energy: 0.49559437787509925 Energy: 0.5256713138348608 Energy: 0.4938992183118754 Energy: 0.4938992316656292 Energy: 0.4876153559148611 Energy: 0.4852269367899054 Energy: 0.48522693678445106 Energy: 0.509691689937587 Energy: 0.510895599633101 Energy: 0.5108943752301405 minimum gb energy = 0.4852269295902302 eV minimum distance = 2.49794569499749 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.51293913723866 Energy: 0.5442536932454795 Energy: 0.5442539264227038 Energy: 0.5171519652942914 Energy: 0.5032468452836008 Energy: 0.5032472159696232 Energy: 0.5059519911137838 Energy: 0.5256290250875256 Energy: 0.5256290282339339 Energy: 0.5127068914001546 Energy: 0.542549220901093 Energy: 0.5425493630182848 Energy: 0.5145015108633293 Energy: 0.5896288915935023 Energy: 0.5896288916157812 Energy: 0.5181572324459983 Energy: 0.5103266256843499 Energy: 0.5103262873842994 Energy: 0.5233795296783728 Energy: 0.5266721188219181 Energy: 0.5266679716520569 Energy: 0.5134932261488501 Energy: 0.5768625254675659 Energy: 0.5768625092789388 Energy: 0.4848451713919125 Energy: 0.5495828756547442 Energy: 0.5495753426401296 Energy: 0.5129393403426952 Energy: 0.539203258292381 Energy: 0.539204828691935 minimum gb energy = 0.4848451713919125 eV minimum distance = 2.56964625860311 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.5577593824440484 Energy: 0.5506073097595471 Energy: 0.5506073918546623 Energy: 0.5555934273621177 Energy: 0.5161150963893418 Energy: 0.5161159136618607 Energy: 0.5626496457866478 Energy: 0.5330278778545515 Energy: 0.533028379898823 Energy: 0.5010167324630557 Energy: 0.5236550655788696 Energy: 0.5236650599477735 Energy: 0.5084433687755273 Energy: 0.5454710824149838 Energy: 0.5454715271807178 Energy: 0.49557871646957463 Energy: 0.5512816695034207 Energy: 0.5512829247328414 Energy: 0.5049535479097462 Energy: 0.599213576451434 Energy: 0.5950953249483918 Energy: 0.48598870536660965 Energy: 0.5521747360011026 Energy: 0.5521743286854698 Energy: 0.5181682443343258 Energy: 0.5037793991643008 Energy: 0.5037793991097432 Energy: 0.513886817096091 Energy: 0.5065547796501203 Energy: 0.5236028125429365 minimum gb energy = 0.48598870536660965 eV minimum distance = 2.51385900925605 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.5879656501170283 Energy: 0.5370492301798521 Energy: 0.5370494499858622 Energy: 0.4995120011153869 Energy: 0.544892591360377 Energy: 0.5448936923364974 Energy: 0.5209671237340038 Energy: 0.5783738604921113 Energy: 0.5783738546497831 Energy: 0.5047243632026813 Energy: 0.5328549561102103 Energy: 0.532855289066046 Energy: 0.5353497811772625 Energy: 0.537049275747729 Energy: 0.5370491675936533 Energy: 0.5395319900612799 Energy: 0.5349475839245269 Energy: 0.5349469960425876 Energy: 0.5495570314216671 Energy: 0.528944672355311 Energy: 0.5289446715796187 Energy: 0.5289440852954657 Energy: 0.5294682538751686 Energy: 0.5294682881935995 Energy: 0.5222448965096317 Energy: 0.5297054210840109 Energy: 0.5297055154736602 Energy: 0.525074819467217 Energy: 0.5634128285665072 Energy: 0.5635278409665121 minimum gb energy = 0.4995120011153869 eV minimum distance = 2.53599470809186 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.5457566108730135 Energy: 0.5836066391221512 Energy: 0.5836066323856806 Energy: 0.5452916988532271 Energy: 0.523670758621118 Energy: 0.5236707603763023 Energy: 0.5794698159993704 Energy: 0.5392197832142116 Energy: 0.5315820376182046 Energy: 0.5718033356731941 Energy: 0.5860582276250719 Energy: 0.5860580616280712 Energy: 0.5236707788136243 Energy: 0.5233763141520722 Energy: 0.5233763147430244 Energy: 0.519966298247932 Energy: 0.5213713329889879 Energy: 0.5213713330596575 Energy: 0.5345356627541321 Energy: 0.5639168392065113 Energy: 0.5639168446928178 Energy: 0.5186307536198149 Energy: 0.5867739179826906 Energy: 0.5867739176791819 Energy: 0.5594989829057904 Energy: 0.519966336937184 Energy: 0.5199663760302806 Energy: 0.5437781372490073 Energy: 0.535721016672163 Energy: 0.5357210397101848 minimum gb energy = 0.5186307536198149 eV minimum distance = 2.51708740307109 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.5945696994611466 Energy: 0.5524590730284473 Energy: 0.5524590730786656 Energy: 0.542025901176133 Energy: 0.6903853172280081 Energy: 0.6903853115574855 Energy: 0.5578498385474446 Energy: 0.5449136588745748 Energy: 0.5449137345632725 Energy: 0.5774244365009902 Energy: 0.5846912347838815 Energy: 0.5846912478849329 Energy: 0.544603659813144 Energy: 0.5414627978624581 Energy: 0.5414621187298443 Energy: 0.5648407279885285 Energy: 0.5759807274511971 Energy: 0.5759802114441941 Energy: 0.5378703421193511 Energy: 0.5492952261619461 Energy: 0.5492952166433428 Energy: 0.5857582297534109 Energy: 0.533261541848934 Energy: 0.5332615424495878 Energy: 0.5446083067278708 Energy: 0.5453759233650951 Energy: 0.5453759233152939 Energy: 0.5921902884026407 Energy: 0.5423810105909804 Energy: 0.5423810052279856 minimum gb energy = 0.533261541848934 eV minimum distance = 2.51290337371476 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.5564348235689199 Energy: 0.5430052674015943 Energy: 0.5430052722692162 Energy: 0.5413204035083851 Energy: 0.5392754337046565 Energy: 0.5392754337295709 Energy: 0.611051901746961 Energy: 0.6447309024496622 Energy: 0.6447310309459033 Energy: 0.5561496221453438 Energy: 0.5313450688363287 Energy: 0.5313450688411199 Energy: 0.5561496222325006 Energy: 0.5658968763601673 Energy: 0.5658968860724568 Energy: 0.524944741959378 Energy: 0.539275433656766 Energy: 0.5392754376154275 Energy: 0.5014753787564484 Energy: 0.5430052674312781 Energy: 0.5430052673910537 Energy: 0.5014753787564484 Energy: 0.5249447419660859 Energy: 0.524944749204318 Energy: 0.5529053751048187 Energy: 0.5645610927452585 Energy: 0.5645610923573436 Energy: 0.5529030267704117 Energy: 0.5645610925307205 Energy: 0.5645610925920047 minimum gb energy = 0.5014753787564484 eV minimum distance = 2.58112302857394 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.5929124068867647 Energy: 0.5793947089863271 Energy: 0.5793955286026455 Energy: 0.5830853288590694 Energy: 0.5565239115766534 Energy: 0.5565239813328073 Energy: 0.6010164074426733 Energy: 0.5454334209629699 Energy: 0.5454343214026793 Energy: 0.5565935962529748 Energy: 0.5793931887946728 Energy: 0.5793929186464942 Energy: 0.5568110827080448 Energy: 0.5566914485463059 Energy: 0.556691455917008 Energy: 0.6089446086337278 Energy: 0.5558400250828682 Energy: 0.5558401672401011 Energy: 0.5350455771701317 Energy: 0.5793968310585413 Energy: 0.5793909148818314 Energy: 0.5781691733397051 Energy: 0.5446713086631797 Energy: 0.544671612673254 Energy: 0.5665028151401106 Energy: 0.5453118350404372 Energy: 0.5451630489920507 Energy: 0.5198526005768309 Energy: 0.5793936228359042 Energy: 0.5793950300818941 minimum gb energy = 0.5198526005768309 eV minimum distance = 2.49595811259765 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.6160505091199241 Energy: 0.5808877683087242 Energy: 0.5808876265472406 Energy: 0.5459187581249737 Energy: 0.5892252409641096 Energy: 0.5892252783874223 Energy: 0.5919846053710495 Energy: 0.5494017035324135 Energy: 0.5494016826681999 Energy: 0.5469597295774902 Energy: 0.5476257838667232 Energy: 0.5476262225313034 Energy: 0.5820453458504937 Energy: 0.5258671531990565 Energy: 0.5258671532679049 Energy: 0.6278059091880482 Energy: 0.5644432795445216 Energy: 0.5644435687913406 Energy: 0.5707633556589469 Energy: 0.5465264693138682 Energy: 0.5465266300606187 Energy: 0.5326782930025836 Energy: 0.5465261715166111 Energy: 0.5465257551534345 Energy: 0.6048004254666435 Energy: 0.5561968521055485 Energy: 0.5561976311731103 Energy: 0.5762596547799129 Energy: 0.5350813979530145 Energy: 0.5350813854961946 minimum gb energy = 0.5258671531990565 eV minimum distance = 2.5073934832223 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.605939211278643 Energy: 0.5629354354323897 Energy: 0.5629354357783432 Energy: 0.5322262597739703 Energy: 0.5629354359924874 Energy: 0.5629354362531095 Energy: 0.583057535598569 Energy: 0.5622518008446292 Energy: 0.5622518623859376 Energy: 0.5726280520058405 Energy: 0.5831756604811098 Energy: 0.5831756614175247 Energy: 0.5835262960919915 Energy: 0.5983779890729517 Energy: 0.5983779933196803 Energy: 0.5698596719375593 Energy: 0.5669371135746986 Energy: 0.566937119255681 Energy: 0.6073630480783516 Energy: 0.5709118912070646 Energy: 0.5709118941517148 Energy: 0.5974110422041196 Energy: 0.5975827253702505 Energy: 0.5975827362248548 Energy: 0.586601979751903 Energy: 0.5588327976880254 Energy: 0.5588328005935225 Energy: 0.5158647863125927 Energy: 0.5541596654394692 Energy: 0.5541596593660552 minimum gb energy = 0.5158647863125927 eV minimum distance = 2.50171908733628 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.5323319885991858 Energy: 0.6001070063142749 Energy: 0.6001071779573219 Energy: 0.590931542851272 Energy: 0.5016653144741711 Energy: 0.501665315184881 Energy: 0.6869205486729972 Energy: 0.6001071127560855 Energy: 0.6001070530167156 Energy: 0.5016653177837614 Energy: 0.5619796090259085 Energy: 0.5619772524546909 Energy: 0.5919661403928915 Energy: 0.5987310694679624 Energy: 0.5987318755045886 Energy: 0.5016653369826015 Energy: 0.5756272333466715 Energy: 0.5756262573360141 Energy: 0.5982354426988129 Energy: 0.6001070080567104 Energy: 0.6001070117512822 Energy: 0.5669083489737976 Energy: 0.5756277655841121 Energy: 0.5756262603269593 Energy: 0.5016653144694309 Energy: 0.6001070089451248 Energy: 0.6001070558157626 Energy: 0.5145990816448708 Energy: 0.501665315310443 Energy: 0.5016653144777261 minimum gb energy = 0.5016653144694309 eV minimum distance = 2.60942849405232 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.608011155961428 Energy: 0.5722890085446419 Energy: 0.5722890853824728 Energy: 0.5579794797019263 Energy: 0.5441980605357479 Energy: 0.5441981596920716 Energy: 0.6096682734520181 Energy: 0.5791579624586319 Energy: 0.5791566699315859 Energy: 0.5790703439600399 Energy: 0.5770564200036334 Energy: 0.5770562517402271 Energy: 0.6088388623804333 Energy: 0.5527311165372101 Energy: 0.5527308087219565 Energy: 0.6018891919184542 Energy: 0.5915523931193326 Energy: 0.5915465585716941 Energy: 0.5724429200460058 Energy: 0.5722890618058709 Energy: 0.572289094120853 Energy: 0.5579793736624256 Energy: 0.573868565773231 Energy: 0.5738695951084751 Energy: 0.619945951151401 Energy: 0.5985125715053096 Energy: 0.5985112484986843 Energy: 0.5477745076740064 Energy: 0.5770567928594469 Energy: 0.5770566022929415 minimum gb energy = 0.5441980605357479 eV minimum distance = 2.49892647144805 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.5990366022993702 Energy: 0.5939571855052745 Energy: 0.5939575723711293 Energy: 0.5510227803544908 Energy: 0.5549517241735185 Energy: 0.5549517241713756 Energy: 0.6331336452791465 Energy: 0.597605005780443 Energy: 0.5976064745135711 Energy: 0.5510227079153822 Energy: 0.5939571839760682 Energy: 0.5939594070302027 Energy: 0.5803462406107692 Energy: 0.5939575867118526 Energy: 0.5939581587944407 Energy: 0.6469782144656404 Energy: 0.647917650019226 Energy: 0.6479176800803965 Energy: 0.5637377485799728 Energy: 0.572804864732652 Energy: 0.5728048841904361 Energy: 0.5510227076228258 Energy: 0.5939614620953826 Energy: 0.5939571641567521 Energy: 0.5367346065559037 Energy: 0.5767746251394266 Energy: 0.5767745759922697 Energy: 0.6294999562012177 Energy: 0.6063881039991733 Energy: 0.6063881118495404 minimum gb energy = 0.5367346065559037 eV minimum distance = 2.49611446979557 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.5786126661530568 Energy: 0.5752035724100583 Energy: 0.575203581560574 Energy: 0.5154387145891005 Energy: 0.5429529651753444 Energy: 0.542952810450064 Energy: 0.5526839051082251 Energy: 0.5488229249457732 Energy: 0.5488226332609035 Energy: 0.5668766100498193 Energy: 0.5339725520069554 Energy: 0.5339725429389311 Energy: 0.6946136569307557 Energy: 0.5786125021671906 Energy: 0.5786126152608673 Energy: 0.6588302069667239 Energy: 0.5828087343803893 Energy: 0.5828080339776992 Energy: 0.5154386364995498 Energy: 0.5488226177257778 Energy: 0.5488226164712907 Energy: 0.5555795088801178 Energy: 0.5744673022019208 Energy: 0.5744672951894114 Energy: 0.5786124733443444 Energy: 0.5752037309914502 Energy: 0.5752037977602021 Energy: 0.5154386327306584 Energy: 0.6227533159465011 Energy: 0.6227459357634992 minimum gb energy = 0.5154386327306584 eV minimum distance = 2.61553661143454 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.5924600183747584 Energy: 0.5511111049998324 Energy: 0.5511111060855811 Energy: 0.6680755042607878 Energy: 0.6036123791345143 Energy: 0.6036125213900445 Energy: 0.5512538805928294 Energy: 0.5764323264444071 Energy: 0.5764321961354744 Energy: 0.543970041631601 Energy: 0.621276332258788 Energy: 0.6212742881090574 Energy: 0.7076767678317599 Energy: 0.6227831659414663 Energy: 0.6227856101643524 Energy: 0.5439705956893471 Energy: 0.6387213337321074 Energy: 0.6387213329410737 Energy: 0.5512538798378108 Energy: 0.5651576793955152 Energy: 0.5651584478668681 Energy: 0.6065902413721035 Energy: 0.5731726581840246 Energy: 0.5731663884838222 Energy: 0.5924600130456144 Energy: 0.5511111038102292 Energy: 0.5511111048861499 Energy: 0.6646193825399171 Energy: 0.5624871030552139 Energy: 0.5624867328241839 minimum gb energy = 0.543970041631601 eV minimum distance = 2.56252356180444 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.6048759367498472 Energy: 0.6004729925273266 Energy: 0.6004736069904547 Energy: 0.5533569281180349 Energy: 0.5663951953042338 Energy: 0.5663939661948337 Energy: 0.547612797461956 Energy: 0.5774800222970089 Energy: 0.5774808332380932 Energy: 0.5447468442437732 Energy: 0.5972648268348412 Energy: 0.5972659188137087 Energy: 0.6801331547425208 Energy: 0.6048763119329919 Energy: 0.6048779073606902 Energy: 0.5447467708378309 Energy: 0.5972650272450039 Energy: 0.5972650194714119 Energy: 0.5476128341848646 Energy: 0.5774809625080668 Energy: 0.5774799259358278 Energy: 0.5533576799453936 Energy: 0.5663939550107737 Energy: 0.566393969663857 Energy: 0.6048781578699972 Energy: 0.600478111320439 Energy: 0.6004771235995291 Energy: 0.5533572011617547 Energy: 0.566394359975188 Energy: 0.5663939657704153 minimum gb energy = 0.5447467708378309 eV minimum distance = 2.50548652902186 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.48121295574695083 Energy: 0.4812129378067711 Energy: 0.48121293780368085 Energy: 0.5938045210890258 Energy: 0.4870007639266611 Energy: 0.48700076393126135 Energy: 0.492548391925254 Energy: 0.5326182571672377 Energy: 0.5326152439563222 Energy: 0.5913205650966243 Energy: 0.48700076393126135 Energy: 0.48700076768116995 Energy: 0.481212947076492 Energy: 0.4812130543391905 Energy: 0.4812129378453641 Energy: 0.5931276682076049 Energy: 0.4870007652440542 Energy: 0.48700076568729384 Energy: 0.4925485463319089 Energy: 0.5326160911110284 Energy: 0.532615242816548 Energy: 0.5913207380581721 Energy: 0.5115684231929247 Energy: 0.5115684240176693 Energy: 0.481212937805226 Energy: 0.4812129378083163 Energy: 0.4812129378005906 Energy: 0.5931281789746273 Energy: 0.5115684231882893 Energy: 0.5115684236161129 minimum gb energy = 0.4812129378005906 eV minimum distance = 2.59052447180639 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.5773348031220354 Energy: 0.5755050801230168 Energy: 0.5755057514621362 Energy: 0.6910343144165876 Energy: 0.5781550019796399 Energy: 0.5781538329087338 Energy: 0.5640492062132955 Energy: 0.5830758111840411 Energy: 0.5830758146293342 Energy: 0.5640494645345775 Energy: 0.5709710146997652 Energy: 0.5709706673151745 Energy: 0.5649911644345812 Energy: 0.622272637818344 Energy: 0.6222668192334849 Energy: 0.5658825537595801 Energy: 0.5801749832841423 Energy: 0.5801753105131429 Energy: 0.7147537341737416 Energy: 0.5933882197535637 Energy: 0.5933879295695483 Energy: 0.5709708942468068 Energy: 0.6218979303312592 Energy: 0.6218946386525529 Energy: 0.6921649445932498 Energy: 0.5766443351821466 Energy: 0.5766460055752876 Energy: 0.5658819806858689 Energy: 0.5739099976617613 Energy: 0.5739099693605829 minimum gb energy = 0.5640492062132955 eV minimum distance = 2.49773423799273 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.5884507152826158 Energy: 0.5914082669077318 Energy: 0.5914081224796266 Energy: 0.5278634227447816 Energy: 0.5890082466029662 Energy: 0.5890082422167027 Energy: 0.5190524967776085 Energy: 0.5671324520742563 Energy: 0.5671325728114232 Energy: 0.5323900370003322 Energy: 0.6231700472810808 Energy: 0.6231687870242747 Energy: 0.5800200207899867 Energy: 0.5884506452153772 Energy: 0.5884503242307418 Energy: 0.6438037089947745 Energy: 0.5818316388411923 Energy: 0.5818330078567862 Energy: 0.7238180204402375 Energy: 0.5190525411652226 Energy: 0.5190525327035429 Energy: 0.6458711738718524 Energy: 0.514742715725635 Energy: 0.5147428720269792 Energy: 0.6772982395528798 Energy: 0.5898970307847373 Energy: 0.5898994608853386 Energy: 0.6426381724469984 Energy: 0.5848379995250673 Energy: 0.5848465861156052 minimum gb energy = 0.514742715725635 eV minimum distance = 2.56872691182865 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.5374561815091716 Energy: 0.6243830776652078 Energy: 0.6243827566349291 Energy: 0.6961649238143759 Energy: 0.5495431918729692 Energy: 0.5495418202731897 Energy: 0.6179787731559154 Energy: 0.625281386637566 Energy: 0.6252813899306865 Energy: 0.5457261703010311 Energy: 0.6280905904771954 Energy: 0.6280898195165188 Energy: 0.6173393154313519 Energy: 0.6198227962297921 Energy: 0.61982303425714 Energy: 0.5457261859205955 Energy: 0.5629738931883638 Energy: 0.5629738493701258 Energy: 0.7146301327325496 Energy: 0.6421140940123493 Energy: 0.6421141731802552 Energy: 0.5457261747625197 Energy: 0.5859081756766288 Energy: 0.5859081754988533 Energy: 0.6632137081537105 Energy: 0.5563124665724566 Energy: 0.5563113004770092 Energy: 0.5457266486416185 Energy: 0.5563097473352716 Energy: 0.5563113942207023 minimum gb energy = 0.5374561815091716 eV minimum distance = 2.56333687306637 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.5899663209155902 Energy: 0.594805490150565 Energy: 0.5948035730909184 Energy: 0.5691283853710484 Energy: 0.5825646329013758 Energy: 0.5825644953712098 Energy: 0.5743363016910618 Energy: 0.612179869803063 Energy: 0.6121801851562113 Energy: 0.5303826634287269 Energy: 0.5948056336420714 Energy: 0.5948059437656843 Energy: 0.6060555573312322 Energy: 0.5717205313839565 Energy: 0.5717205314551373 Energy: 0.5394990504033216 Energy: 0.5802503307954139 Energy: 0.5802503300836044 Energy: 0.5366963751384668 Energy: 0.6128200923448325 Energy: 0.6128201536900831 Energy: 0.5710150282370879 Energy: 0.5768440105254332 Energy: 0.5768438804212386 Energy: 0.5609167831687365 Energy: 0.5680993811850263 Energy: 0.5680975655901823 Energy: 0.5366951471947273 Energy: 0.6139205947792581 Energy: 0.6139155036456018 minimum gb energy = 0.5303826634287269 eV minimum distance = 2.5630255132272 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.57208949238864 Energy: 0.5823457344088644 Energy: 0.5823457444557646 Energy: 0.5554196899531171 Energy: 0.5816860825556397 Energy: 0.5816860839387162 Energy: 0.5798896846806487 Energy: 0.5884489349573403 Energy: 0.5884489349636913 Energy: 0.5455650882248179 Energy: 0.600142237638797 Energy: 0.6001427724242131 Energy: 0.6970420596995971 Energy: 0.5262040251247938 Energy: 0.5262040251184631 Energy: 0.6336361938061795 Energy: 0.586787340459121 Energy: 0.5867873460240085 Energy: 0.6013410939481447 Energy: 0.533261156761392 Energy: 0.5332612963842602 Energy: 0.5932815128178556 Energy: 0.5806794753887489 Energy: 0.5806793390289812 Energy: 0.5996862912930693 Energy: 0.5965887884882968 Energy: 0.5965890154326192 Energy: 0.5508039254572611 Energy: 0.6017163652003745 Energy: 0.6017158780230764 minimum gb energy = 0.5262040251184631 eV minimum distance = 2.49667163096628 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.547716222178437 Energy: 0.5528612303423905 Energy: 0.5528607538851975 Energy: 0.5403889501823721 Energy: 0.611294359443367 Energy: 0.6112943711862576 Energy: 0.6596724253130896 Energy: 0.5919844623508358 Energy: 0.5919845454555474 Energy: 0.5671906751690654 Energy: 0.5805964038957585 Energy: 0.5805977028083403 Energy: 0.5550808622175398 Energy: 0.6519893728474572 Energy: 0.6519908308284316 Energy: 0.5550805600827945 Energy: 0.6022261235068065 Energy: 0.6022261205971118 Energy: 0.5747717006319182 Energy: 0.5409400807968577 Energy: 0.5409410746938722 Energy: 0.7030160554595036 Energy: 0.5458156299600203 Energy: 0.5458156299491206 Energy: 0.5747716932113202 Energy: 0.5850940215626721 Energy: 0.5850949460961474 Energy: 0.5551878390184406 Energy: 0.6030252932256628 Energy: 0.6030242301607587 minimum gb energy = 0.5403889501823721 eV minimum distance = 2.48960695346347 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.5450394275061263 Energy: 0.5554847114761877 Energy: 0.5554846040641594 Energy: 0.5856494930880934 Energy: 0.5417962004212835 Energy: 0.5417961503606835 Energy: 0.6073403510583303 Energy: 0.587580717043335 Energy: 0.587582939829693 Energy: 0.552285275727659 Energy: 0.5926831499405405 Energy: 0.5926833536856329 Energy: 0.545039427012345 Energy: 0.5875780303869165 Energy: 0.5875835116479073 Energy: 0.6204762427855798 Energy: 0.5543719330326479 Energy: 0.5543716232863852 Energy: 0.5461466110420011 Energy: 0.5914339550173097 Energy: 0.5914338492899472 Energy: 0.546146551715389 Energy: 0.5833293099437086 Energy: 0.5833301649189104 Energy: 0.6902308552798749 Energy: 0.5708243635683474 Energy: 0.57082435027562 Energy: 0.5522852441106622 Energy: 0.608664811661664 Energy: 0.6086652347282128 minimum gb energy = 0.5417961503606835 eV minimum distance = 2.4975849500634 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.5542542365681288 Energy: 0.5630287654717606 Energy: 0.5630285499857091 Energy: 0.5630384533795673 Energy: 0.5989723902625225 Energy: 0.5989744652436448 Energy: 0.6488096791188445 Energy: 0.5507584180070673 Energy: 0.550757863997998 Energy: 0.5555807209733807 Energy: 0.609365619367363 Energy: 0.6093660635310988 Energy: 0.5650057902664628 Energy: 0.6419726079480985 Energy: 0.641970450274013 Energy: 0.6011508529447483 Energy: 0.6004528078959145 Energy: 0.6004529989058792 Energy: 0.5524904333211128 Energy: 0.614283023392003 Energy: 0.6142786106487637 Energy: 0.5650057902778733 Energy: 0.664984372131305 Energy: 0.6649843820054107 Energy: 0.5829489889231889 Energy: 0.5960004498720138 Energy: 0.5960023244193524 Energy: 0.6628694219886699 Energy: 0.6098020887914064 Energy: 0.6098021022979333 minimum gb energy = 0.550757863997998 eV minimum distance = 2.49645738127378 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.5591064169519525 Energy: 0.5616517885276643 Energy: 0.5616518972895873 Energy: 0.5783859352181135 Energy: 0.5868573893246902 Energy: 0.5868565212725689 Energy: 0.5897781501274972 Energy: 0.5693796025961652 Energy: 0.5693817222185489 Energy: 0.562988068013265 Energy: 0.5828448336379617 Energy: 0.5828477449231643 Energy: 0.6878823549556722 Energy: 0.5497193381675277 Energy: 0.5497493974261772 Energy: 0.5968380265913178 Energy: 0.5620443215867472 Energy: 0.5620432942099999 Energy: 0.5673043724355911 Energy: 0.5625524109022358 Energy: 0.5625534970085253 Energy: 0.5693095271922125 Energy: 0.5449582968068301 Energy: 0.5449582743415247 Energy: 0.5706039178323619 Energy: 0.6246717338880732 Energy: 0.6248615367977938 Energy: 0.5427273606989321 Energy: 0.5631870455709418 Energy: 0.5631865568700753 minimum gb energy = 0.5427273606989321 eV minimum distance = 2.55051787660471 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.5573833109025089 Energy: 0.5624024716636714 Energy: 0.5624024751962153 Energy: 0.6265899099675747 Energy: 0.5575139969253292 Energy: 0.5575149756577962 Energy: 0.5538388594853335 Energy: 0.5852254467921433 Energy: 0.5852252440669197 Energy: 0.689647589072858 Energy: 0.5555191616273149 Energy: 0.5555137332659794 Energy: 0.5803954610888655 Energy: 0.5859533008472084 Energy: 0.5859492418629777 Energy: 0.6244549267369414 Energy: 0.545737845344258 Energy: 0.5457378441241271 Energy: 0.5650056076526536 Energy: 0.5995097165735783 Energy: 0.5995108276161096 Energy: 0.5684361687464465 Energy: 0.5503071264008653 Energy: 0.5503054449600904 Energy: 0.5696300974703085 Energy: 0.5632183544721063 Energy: 0.5632212404622512 Energy: 0.6019191552640151 Energy: 0.5600805488022965 Energy: 0.560081114697544 minimum gb energy = 0.5457378441241271 eV minimum distance = 2.55628744421022 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.5555821842390315 Energy: 0.5622481565628606 Energy: 0.5622492216318635 Energy: 0.5573022360609363 Energy: 0.582897363904838 Energy: 0.5828982423957293 Energy: 0.564707236081755 Energy: 0.5850763775915514 Energy: 0.5850752018134487 Energy: 0.5698756017130249 Energy: 0.5901314751370199 Energy: 0.5901316600451877 Energy: 0.5708778669784521 Energy: 0.5866547028919076 Energy: 0.5866542468341012 Energy: 0.5824682125682389 Energy: 0.5688597192131881 Energy: 0.568859451456892 Energy: 0.6133938381780645 Energy: 0.5521414070347337 Energy: 0.552141406754151 Energy: 0.6342645483166182 Energy: 0.5505723456054751 Energy: 0.5505723161961206 Energy: 0.5866298288623786 Energy: 0.5505724850302547 Energy: 0.5505724761339135 Energy: 0.6101434659759228 Energy: 0.5525585056804 Energy: 0.552547779497606 minimum gb energy = 0.5505723161961206 eV minimum distance = 2.54622264425457 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.5229857087997165 Energy: 0.5550417136971123 Energy: 0.5550417136896879 Energy: 0.5080311614600532 Energy: 0.5229857088060484 Energy: 0.5229857089041311 Energy: 0.584656813064503 Energy: 0.5232796088639127 Energy: 0.5232796089318256 Energy: 0.5229857089377524 Energy: 0.5080364944796804 Energy: 0.5080364944737705 Energy: 0.5229857090954545 Energy: 0.5229857088003869 Energy: 0.5229857088099966 Energy: 0.5229857088043102 Energy: 0.5232796088660977 Energy: 0.5232796095707043 Energy: 0.5080417456724136 Energy: 0.5414801544073429 Energy: 0.5414801543173551 Energy: 0.522985708856083 Energy: 0.5229857088008091 Energy: 0.5229857087953462 Energy: 0.5229857099675963 Energy: 0.5229857088401166 Energy: 0.52298570884625 Energy: 0.5432279306981956 Energy: 0.5414801543123393 Energy: 0.5414801543213033 minimum gb energy = 0.5080311614600532 eV minimum distance = 2.60922665544229 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.5316711286518786 Energy: 0.5552998274311514 Energy: 0.5552998546657196 Energy: 0.5246749188191594 Energy: 0.5860804338670488 Energy: 0.586076402872435 Energy: 0.5221870971357673 Energy: 0.5519205029755814 Energy: 0.5519197913448289 Energy: 0.5226139328406485 Energy: 0.5639851654451608 Energy: 0.5639874257397085 Energy: 0.5764710612088259 Energy: 0.5501669669232879 Energy: 0.5501682334304601 Energy: 0.6225506189329836 Energy: 0.5220023542558022 Energy: 0.5220023030232814 Energy: 0.5220602615802455 Energy: 0.5324329062383414 Energy: 0.5324328314057594 Energy: 0.5324961537990511 Energy: 0.5271752380966832 Energy: 0.5271779471020221 Energy: 0.5318321572916591 Energy: 0.5611081593605579 Energy: 0.5611083363344178 Energy: 0.5332341873048193 Energy: 0.6098295018090519 Energy: 0.6098311436150629 minimum gb energy = 0.5220023030232814 eV minimum distance = 2.58242749564663 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.5334856006828828 Energy: 0.5498980818257467 Energy: 0.5498984236741719 Energy: 0.5252703998009169 Energy: 0.5185073023653729 Energy: 0.5185073488025379 Energy: 0.5623310874985967 Energy: 0.5192248986255542 Energy: 0.5192256090356878 Energy: 0.5215713090913409 Energy: 0.5821586848014159 Energy: 0.5821611738646556 Energy: 0.520657867424492 Energy: 0.580166819760044 Energy: 0.5801661901235795 Energy: 0.5619711818125486 Energy: 0.543321805445447 Energy: 0.5433235574593376 Energy: 0.5185890768947579 Energy: 0.5629966569902676 Energy: 0.5629974050520321 Energy: 0.5262508685300689 Energy: 0.6150120782312557 Energy: 0.6150123924272811 Energy: 0.559748316438768 Energy: 0.5283793434667572 Energy: 0.5283784112341422 Energy: 0.5558591128692387 Energy: 0.5222063637174826 Energy: 0.5222067066743696 minimum gb energy = 0.5185073023653729 eV minimum distance = 2.57767649646524 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.5241325413584836 Energy: 0.5536004306713839 Energy: 0.5535997645165096 Energy: 0.5285677150716481 Energy: 0.5433101022127618 Energy: 0.5433102008023647 Energy: 0.5285534983160238 Energy: 0.5498157465550324 Energy: 0.549816318374382 Energy: 0.5176393884107671 Energy: 0.5561706769653341 Energy: 0.5561737977202744 Energy: 0.5238346098006684 Energy: 0.5552627858200313 Energy: 0.555262794810348 Energy: 0.5842468797939561 Energy: 0.5149456160811865 Energy: 0.514947070306518 Energy: 0.5145185421244358 Energy: 0.5613897223675319 Energy: 0.5613896693514888 Energy: 0.5150495744844349 Energy: 0.5877776626976537 Energy: 0.5877789166123076 Energy: 0.5268267115306432 Energy: 0.5176375755633227 Energy: 0.5176359112714819 Energy: 0.5116364670087369 Energy: 0.5291650583398662 Energy: 0.5291640303281402 minimum gb energy = 0.5116364670087369 eV minimum distance = 2.55225434333411 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.518733890776895 Energy: 0.552084533529417 Energy: 0.5520844011953168 Energy: 0.5130629528427986 Energy: 0.5804469190284964 Energy: 0.5804438554789083 Energy: 0.5028285634497858 Energy: 0.5121493150186262 Energy: 0.5121498107681444 Energy: 0.513062792286542 Energy: 0.52183328288843 Energy: 0.5218331341174174 Energy: 0.5765998441531583 Energy: 0.5626777924540384 Energy: 0.5626807523200565 Energy: 0.641841619245435 Energy: 0.5042169351359976 Energy: 0.5042171438237446 Energy: 0.576628286283981 Energy: 0.5055312760685692 Energy: 0.5055312739059044 Energy: 0.50293527633254 Energy: 0.5626775220791979 Energy: 0.5626772425812744 Energy: 0.5271466705888579 Energy: 0.509475833307996 Energy: 0.5094751059999263 Energy: 0.507608336281188 Energy: 0.5771524019983861 Energy: 0.5771517907601437 minimum gb energy = 0.5028285634497858 eV minimum distance = 2.58271694950442 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.5128461712187691 Energy: 0.5279208833203017 Energy: 0.5279200811355917 Energy: 0.5652242207899606 Energy: 0.5040771720927955 Energy: 0.5040740463498306 Energy: 0.5070693145215825 Energy: 0.6675499575236463 Energy: 0.6675498711160563 Energy: 0.6347586647350524 Energy: 0.5054459473374899 Energy: 0.5054452564530143 Energy: 0.5121559296026377 Energy: 0.6061659596396352 Energy: 0.6061630760819118 Energy: 0.681145761724302 Energy: 0.5200235064600631 Energy: 0.5200228008830203 Energy: 0.5121568108256245 Energy: 0.6061657078340283 Energy: 0.6061649232556777 Energy: 0.5983065226608268 Energy: 0.5382937656674716 Energy: 0.5382937762522508 Energy: 0.5054458361099538 Energy: 0.6044979611140168 Energy: 0.6044971280600734 Energy: 0.6164185780222061 Energy: 0.502531319621022 Energy: 0.5025306638898448 minimum gb energy = 0.5025306638898448 eV minimum distance = 2.58135809427612 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.5241193199400371 Energy: 0.521963233595909 Energy: 0.5219636493400959 Energy: 0.5273683430418384 Energy: 0.51176870562993 Energy: 0.5117683834025631 Energy: 0.5044655825325924 Energy: 0.5077736842151174 Energy: 0.507773699594875 Energy: 0.506272884467485 Energy: 0.5891919340195074 Energy: 0.5891923908979129 Energy: 0.5641758498643231 Energy: 0.5334875644079423 Energy: 0.5334889297544029 Energy: 0.5038593471371331 Energy: 0.5978389646303368 Energy: 0.597838250022321 Energy: 0.5859846715615422 Energy: 0.5460261125307528 Energy: 0.5460261873874179 Energy: 0.495911461885995 Energy: 0.5917622191637743 Energy: 0.5917610905591536 Energy: 0.4968264910173969 Energy: 0.5616393504117946 Energy: 0.5616387585476824 Energy: 0.5147385522930965 Energy: 0.5211301072748419 Energy: 0.5211283038876482 minimum gb energy = 0.495911461885995 eV minimum distance = 2.55609421545095 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.5698761951867186 Energy: 0.5394392477506349 Energy: 0.5394391783287705 Energy: 0.48438164722270166 Energy: 0.5734586662946607 Energy: 0.5734592825605803 Energy: 0.4789362927626036 Energy: 0.6380480887901765 Energy: 0.6380480092661437 Energy: 0.4843816442635005 Energy: 0.5924338015698474 Energy: 0.5924338091600765 Energy: 0.5021577237935877 Energy: 0.5045185121919751 Energy: 0.504516498993143 Energy: 0.6207349132975617 Energy: 0.489616742289145 Energy: 0.48961685241531255 Energy: 0.5582861125148914 Energy: 0.489616232893687 Energy: 0.4896209437805277 Energy: 0.5674772633274816 Energy: 0.4778204996833882 Energy: 0.47782156047603724 Energy: 0.4843807675560978 Energy: 0.5892555369890512 Energy: 0.5892566329662802 Energy: 0.4830255027461444 Energy: 0.6380480310920301 Energy: 0.6380480324740558 minimum gb energy = 0.4778204996833882 eV minimum distance = 2.4981762130427 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.5350183663326025 Energy: 0.5125739771165498 Energy: 0.5125730177981952 Energy: 0.4870173765332201 Energy: 0.5266004353559591 Energy: 0.5266006318585079 Energy: 0.4888477333841799 Energy: 0.5626496856069059 Energy: 0.5626489473017969 Energy: 0.5443916476827244 Energy: 0.6102398318265987 Energy: 0.6102405959516701 Energy: 0.5722773428691262 Energy: 0.48561597056639744 Energy: 0.4856148710734236 Energy: 0.5237978426987282 Energy: 0.5296271947901793 Energy: 0.5296248207423333 Energy: 0.5294834750353025 Energy: 0.4917986685053224 Energy: 0.4917986773019217 Energy: 0.48458422173750043 Energy: 0.5924210118790529 Energy: 0.5924207160351306 Energy: 0.48939892813640823 Energy: 0.5901460401428559 Energy: 0.5901445487425516 Energy: 0.48498291534066507 Energy: 0.6139517659935653 Energy: 0.6138484679626147 minimum gb energy = 0.48458422173750043 eV minimum distance = 2.5594091012979 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.5033016765063757 Energy: 0.4930367189130827 Energy: 0.49303687126186135 Energy: 0.48350799431908836 Energy: 0.552723601839645 Energy: 0.5527233521137208 Energy: 0.5152997330722715 Energy: 0.49052574056507764 Energy: 0.4905258513350485 Energy: 0.5123066710175278 Energy: 0.4831270607658021 Energy: 0.483127698297178 Energy: 0.48795671269882074 Energy: 0.5500164739621601 Energy: 0.5500166120892898 Energy: 0.48691969326131507 Energy: 0.5069672175939072 Energy: 0.5069678211757677 Energy: 0.4839287967616863 Energy: 0.4985699010700749 Energy: 0.49857049536654957 Energy: 0.5701830686358395 Energy: 0.5014176182395607 Energy: 0.5014166103465437 Energy: 0.49185008634091987 Energy: 0.4918858267925413 Energy: 0.4918845949776388 Energy: 0.48350780764289636 Energy: 0.5585158844289843 Energy: 0.558516472339661 minimum gb energy = 0.4831270607658021 eV minimum distance = 2.48034591132157 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.5242674025698776 Energy: 0.49669098782574556 Energy: 0.49669030635832495 Energy: 0.5907222965797222 Energy: 0.5163844480090091 Energy: 0.5163850981195074 Energy: 0.4805639777700839 Energy: 0.5681467168805733 Energy: 0.5681452489210638 Energy: 0.5337277906822565 Energy: 0.47545906793169357 Energy: 0.47545896924345915 Energy: 0.47278796757250846 Energy: 0.6380974458794901 Energy: 0.6380974838125484 Energy: 0.5998967791710262 Energy: 0.5198693043779966 Energy: 0.5198693045473143 Energy: 0.4805262233535197 Energy: 0.5739302937243173 Energy: 0.5739303858319529 Energy: 0.622123275221926 Energy: 0.5337748152933443 Energy: 0.5337748171508991 Energy: 0.4786596851434828 Energy: 0.57393165360449 Energy: 0.5739311103001412 Energy: 0.611500573402143 Energy: 0.5340546010722061 Energy: 0.5340546283593036 minimum gb energy = 0.47278796757250846 eV minimum distance = 2.48296139001882 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.4938965738561048 Energy: 0.4869622494956422 Energy: 0.48696191548434553 Energy: 0.4758591629809608 Energy: 0.5815947535367914 Energy: 0.5815914199532624 Energy: 0.4779553438780433 Energy: 0.47864638726934444 Energy: 0.4786444893247393 Energy: 0.5063614790217497 Energy: 0.4866282025574002 Energy: 0.48662886573577274 Energy: 0.4726509493434112 Energy: 0.4753590682896381 Energy: 0.4753576286859192 Energy: 0.4773570859448867 Energy: 0.6162542772219494 Energy: 0.6162542802030719 Energy: 0.4749614854947182 Energy: 0.5086565559611957 Energy: 0.5086495250114356 Energy: 0.47227662888482586 Energy: 0.611326393373001 Energy: 0.6113266373399526 Energy: 0.5000025685314955 Energy: 0.48826063154746513 Energy: 0.4882605830285808 Energy: 0.5705098839717477 Energy: 0.5466322000787012 Energy: 0.5466310404990008 minimum gb energy = 0.47227662888482586 eV minimum distance = 2.50192952753229 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.4400455373379742 Energy: 0.44004552597998603 Energy: 0.4400455242610238 Energy: 0.4531635140707013 Energy: 0.5927408727076242 Energy: 0.5927408647631062 Energy: 0.4619158950594462 Energy: 0.45316334864355806 Energy: 0.4531633643239608 Energy: 0.44852197195800325 Energy: 0.45316334862729607 Energy: 0.45316342399374543 Energy: 0.44852196775884684 Energy: 0.4531633504342824 Energy: 0.4531633626158706 Energy: 0.6474576033196141 Energy: 0.4485219677561365 Energy: 0.4485219704232815 Energy: 0.4485219677561365 Energy: 0.4743160321550284 Energy: 0.4743160242511651 Energy: 0.44004552649741185 Energy: 0.5131853208667263 Energy: 0.5131853669407797 Energy: 0.6114761393368605 Energy: 0.4531633638918487 Energy: 0.45316334893750515 Energy: 0.4485219817460662 Energy: 0.4531633768563514 Energy: 0.4531633495402753 minimum gb energy = 0.4400455242610238 eV minimum distance = 2.5991262929453 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.5410284840225764 Energy: 0.4605172956220771 Energy: 0.4605197857824374 Energy: 0.447775553122485 Energy: 0.5938566683294724 Energy: 0.5938589693719499 Energy: 0.45423798898317386 Energy: 0.5206845716042702 Energy: 0.5206845715554723 Energy: 0.44991122353371815 Energy: 0.5712436100485095 Energy: 0.5712436100333674 Energy: 0.44574821177444623 Energy: 0.452062865254119 Energy: 0.45206532160549806 Energy: 0.44395043226467834 Energy: 0.6025677396784547 Energy: 0.6025681773790731 Energy: 0.44356744242639357 Energy: 0.4929186387953815 Energy: 0.4929175356851244 Energy: 0.5987030437486911 Energy: 0.4937548503634741 Energy: 0.4937556473054336 Energy: 0.538585559351287 Energy: 0.5364662211315963 Energy: 0.5364671454534843 Energy: 0.5453559650024896 Energy: 0.4911594318293837 Energy: 0.4911594537180767 minimum gb energy = 0.44356744242639357 eV minimum distance = 2.50842481262865 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.49282879825502945 Energy: 0.45884810879041454 Energy: 0.45884882288297035 Energy: 0.46139727051284973 Energy: 0.4801299060008802 Energy: 0.48012667259013975 Energy: 0.4720527932403993 Energy: 0.4969847499684463 Energy: 0.4969869842553644 Energy: 0.43670601521151176 Energy: 0.5570979418790418 Energy: 0.5570980774424054 Energy: 0.5702234637106578 Energy: 0.44168153149724015 Energy: 0.4416803634870594 Energy: 0.4717562184068822 Energy: 0.6068524331486612 Energy: 0.6068524340052907 Energy: 0.4398725532963646 Energy: 0.5226413083036049 Energy: 0.5226412515431051 Energy: 0.626183562892016 Energy: 0.4433927410277701 Energy: 0.44339365358306043 Energy: 0.4437864954984729 Energy: 0.4466691370734313 Energy: 0.44666797794205854 Energy: 0.4367944022784387 Energy: 0.5411606304021731 Energy: 0.5411620449168216 minimum gb energy = 0.43670601521151176 eV minimum distance = 2.50689535690009 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.45149467571129676 Energy: 0.43416427490915555 Energy: 0.4341637500724469 Energy: 0.43101082750162073 Energy: 0.506089142748188 Energy: 0.5060893885085768 Energy: 0.434017061452958 Energy: 0.44075736986134095 Energy: 0.44075722184418853 Energy: 0.4341634841462753 Energy: 0.44185713536194127 Energy: 0.44185733484929246 Energy: 0.5156552295397606 Energy: 0.5225004555541842 Energy: 0.522500423910286 Energy: 0.43101082741420055 Energy: 0.44075736115495545 Energy: 0.44075719083386683 Energy: 0.437143561163847 Energy: 0.46281457200176623 Energy: 0.46281605759029354 Energy: 0.5944911895009953 Energy: 0.5225006806048798 Energy: 0.5225011166443558 Energy: 0.4362495731427974 Energy: 0.4341278763837808 Energy: 0.43412833931285194 Energy: 0.4371448243769005 Energy: 0.5913050963914369 Energy: 0.5913048803406532 minimum gb energy = 0.43101082741420055 eV minimum distance = 2.51379402299073 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.5323279686552291 Energy: 0.42943559641946727 Energy: 0.42943499998008106 Energy: 0.4239458803466006 Energy: 0.43233169960336754 Energy: 0.4323296583457267 Energy: 0.4221936008151914 Energy: 0.6064764821429779 Energy: 0.6064751786617535 Energy: 0.4235927426683358 Energy: 0.4303923751946193 Energy: 0.4303928188065867 Energy: 0.4325677850443481 Energy: 0.4765315572325179 Energy: 0.4765314461561059 Energy: 0.5274813066422386 Energy: 0.48074559011632534 Energy: 0.48074479475263293 Energy: 0.42611208477588347 Energy: 0.5823029136332188 Energy: 0.5822989598442918 Energy: 0.6165910032898897 Energy: 0.42611965993382267 Energy: 0.4261196022014817 Energy: 0.4283824410848397 Energy: 0.5157432489865416 Energy: 0.5157387730406686 Energy: 0.4221938776087246 Energy: 0.5044679856946338 Energy: 0.5044728287340969 minimum gb energy = 0.4221936008151914 eV minimum distance = 2.5687786427142 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.5098338130554774 Energy: 0.43769067369309766 Energy: 0.4376906575257891 Energy: 0.42857276702944186 Energy: 0.5046739950809974 Energy: 0.5046717151935214 Energy: 0.5039720655877203 Energy: 0.4684928826878043 Energy: 0.4684938941217778 Energy: 0.42914160580933236 Energy: 0.5210624525755951 Energy: 0.5210647576212548 Energy: 0.48615874311317403 Energy: 0.4601152842479123 Energy: 0.4601155411172367 Energy: 0.42545748171348846 Energy: 0.628254078416641 Energy: 0.6282541267419989 Energy: 0.4256486694679221 Energy: 0.5695929671027582 Energy: 0.5695922228384143 Energy: 0.6134032949143314 Energy: 0.4656783216676278 Energy: 0.465678136552893 Energy: 0.4278095782689917 Energy: 0.5510311246889923 Energy: 0.5510296103746052 Energy: 0.503971713942873 Energy: 0.5325708686062421 Energy: 0.5325708717262457 minimum gb energy = 0.42545748171348846 eV minimum distance = 2.48849303935864 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.41382970083781484 Energy: 0.41415838113763664 Energy: 0.4141583885328953 Energy: 0.40155882626349637 Energy: 0.6857541225513714 Energy: 0.6857541604751475 Energy: 0.3995758058922576 Energy: 0.6610837213532292 Energy: 0.6610838239403659 Energy: 0.41110752197516287 Energy: 0.6851470971948924 Energy: 0.6851462290453778 Energy: 0.3995757877366996 Energy: 0.5407897428185175 Energy: 0.5407897428761292 Energy: 0.41110746513683855 Energy: 0.5503683251009899 Energy: 0.5503684847520782 Energy: 0.3947835010893846 Energy: 0.5503691052008957 Energy: 0.5503692102554061 Energy: 0.41382857586441657 Energy: 0.5503698302421974 Energy: 0.5503695225970101 Energy: 0.39478349775656985 Energy: 0.6742384535701061 Energy: 0.6742385202798357 Energy: 0.39957579093372486 Energy: 0.5387511041495567 Energy: 0.5387511041857139 minimum gb energy = 0.39478349775656985 eV minimum distance = 2.51826572740559 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.49075397112393737 Energy: 0.4077202855346061 Energy: 0.4077204200032621 Energy: 0.39876920654456377 Energy: 0.5234645401250896 Energy: 0.5234647610941056 Energy: 0.5489468143979345 Energy: 0.4438304592738733 Energy: 0.44383009094622944 Energy: 0.39454772256926757 Energy: 0.5122430755300993 Energy: 0.5122432906379271 Energy: 0.403318354023165 Energy: 0.5061605098146256 Energy: 0.5061604454705246 Energy: 0.4119903566970579 Energy: 0.42829126503619636 Energy: 0.4282898057113917 Energy: 0.39682900392391685 Energy: 0.48347838309687907 Energy: 0.4834783829578358 Energy: 0.6111928113084277 Energy: 0.4394894345582683 Energy: 0.43948983058026103 Energy: 0.39818499680216746 Energy: 0.5566417147835158 Energy: 0.5566410759378967 Energy: 0.3990919003479783 Energy: 0.41426671194563747 Energy: 0.41426707907175087 minimum gb energy = 0.39454772256926757 eV minimum distance = 2.57607920767389 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.5405264804196269 Energy: 0.5403991149606653 Energy: 0.5403971865914876 Energy: 0.38822886743852814 Energy: 0.48634072470850037 Energy: 0.48634042141584866 Energy: 0.5483305962786517 Energy: 0.5299063461365414 Energy: 0.5299068971387564 Energy: 0.42411988673272333 Energy: 0.5324229929026274 Energy: 0.532422986952855 Energy: 0.4241191588006301 Energy: 0.631808682663146 Energy: 0.6318090058903522 Energy: 0.38833384749368366 Energy: 0.5394459389397821 Energy: 0.5394450746840666 Energy: 0.5467626343454522 Energy: 0.41489202699529265 Energy: 0.41489202955809856 Energy: 0.5420962400614799 Energy: 0.5598081911622134 Energy: 0.5598019017906237 Energy: 0.38822887501048065 Energy: 0.4107720390573366 Energy: 0.4107711610678661 Energy: 0.38833369887429214 Energy: 0.5642934714759718 Energy: 0.5642941465814044 minimum gb energy = 0.38822886743852814 eV minimum distance = 2.5117654533819 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.5371071106498949 Energy: 0.6351098815132676 Energy: 0.6351099155325575 Energy: 0.3889078946656611 Energy: 0.4633017983883374 Energy: 0.46330166804913553 Energy: 0.39186565669931733 Energy: 0.636810444697813 Energy: 0.6368129769860043 Energy: 0.5508462949462356 Energy: 0.38702983216882647 Energy: 0.38702981980759704 Energy: 0.3900837830644485 Energy: 0.5251472352451999 Energy: 0.5251472336794452 Energy: 0.5638497683114494 Energy: 0.42379886640655745 Energy: 0.4237989251191665 Energy: 0.38881317883121813 Energy: 0.44636446683507186 Energy: 0.4463652516873941 Energy: 0.6012524163278867 Energy: 0.42379886450310267 Energy: 0.4237994219628312 Energy: 0.3888127932079819 Energy: 0.5121081338523804 Energy: 0.5121071044247782 Energy: 0.4562920521797956 Energy: 0.4231532611363706 Energy: 0.42315352883677015 minimum gb energy = 0.38702981980759704 eV minimum distance = 2.51345250847392 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.4478533421580815 Energy: 0.5065520023044535 Energy: 0.5065508120948261 Energy: 0.4229592862173583 Energy: 0.528929449121508 Energy: 0.5289291380382445 Energy: 0.4245845486247941 Energy: 0.38067795495893053 Energy: 0.3806779473444478 Energy: 0.37419060125112774 Energy: 0.5752643065518116 Energy: 0.5752641770243029 Energy: 0.3741906039069999 Energy: 0.5039830939409856 Energy: 0.5039831108670454 Energy: 0.36821206702991943 Energy: 0.561958182009008 Energy: 0.5619585608574179 Energy: 0.42295909314950636 Energy: 0.374190602904761 Energy: 0.3741906012496016 Energy: 0.4478527699466457 Energy: 0.608620272005726 Energy: 0.6079679607923267 Energy: 0.422959016030848 Energy: 0.5395003077795519 Energy: 0.5394999189727491 Energy: 0.4133242197200565 Energy: 0.5150512952796908 Energy: 0.5150508869283471 minimum gb energy = 0.36821206702991943 eV minimum distance = 2.51232200429159 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.4642047320404322 Energy: 0.5891844809275064 Energy: 0.5891844859204892 Energy: 0.35341467178516744 Energy: 0.5372712529343535 Energy: 0.5372723424791086 Energy: 0.3562659664831364 Energy: 0.45336427146758584 Energy: 0.45336452956225604 Energy: 0.5399126837374283 Energy: 0.4097805762570219 Energy: 0.40978084383698143 Energy: 0.44529876712298067 Energy: 0.49387861536982225 Energy: 0.4938787584176147 Energy: 0.363815927146377 Energy: 0.5251461507352161 Energy: 0.5251449005397621 Energy: 0.36245521353154825 Energy: 0.44040377977153344 Energy: 0.4404035214473082 Energy: 0.5378446207506746 Energy: 0.45570595831175814 Energy: 0.45570449149709225 Energy: 0.3973955503692002 Energy: 0.3579291059379014 Energy: 0.35792952656605803 Energy: 0.35360901559723956 Energy: 0.5319046850997717 Energy: 0.5319047497381464 minimum gb energy = 0.35341467178516744 eV minimum distance = 2.51109136059542 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.5016160652545452 Energy: 0.5635177786408795 Energy: 0.5635174044055055 Energy: 0.42802537873234214 Energy: 0.3471863474326897 Energy: 0.34718635320443786 Energy: 0.34268130753351006 Energy: 0.4666385901824206 Energy: 0.46663868484088067 Energy: 0.3409672348924182 Energy: 0.35447191210292167 Energy: 0.35447265918605614 Energy: 0.3426813078843307 Energy: 0.46663849648255357 Energy: 0.46663860904219107 Energy: 0.3426813089961678 Energy: 0.42782276451237466 Energy: 0.4278227625126091 Energy: 0.3413582816932091 Energy: 0.42782275686404775 Energy: 0.4278227572210959 Energy: 0.5016160654202445 Energy: 0.540656860006475 Energy: 0.5406569029606278 Energy: 0.4947883484745575 Energy: 0.4278227593221806 Energy: 0.42782278650254435 Energy: 0.34268131204711544 Energy: 0.5800250660192874 Energy: 0.5800262151046617 minimum gb energy = 0.3409672348924182 eV minimum distance = 2.61892657079644 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.48702023102116093 Energy: 0.5484196430806221 Energy: 0.5484420706820925 Energy: 0.3998045869643222 Energy: 0.41390302572438675 Energy: 0.41390488758611993 Energy: 0.331249532062378 Energy: 0.483805890527978 Energy: 0.48380661707583217 Energy: 0.3403179276266044 Energy: 0.4532512126888567 Energy: 0.45325065797611114 Energy: 0.5474690830371214 Energy: 0.37040439113075485 Energy: 0.370404328814258 Energy: 0.3352258145716138 Energy: 0.5457743028751987 Energy: 0.5457749339097906 Energy: 0.32764620719540566 Energy: 0.47977374806148987 Energy: 0.4797736812807447 Energy: 0.5481703438772928 Energy: 0.41385052006512746 Energy: 0.4138507347419164 Energy: 0.3344600187732198 Energy: 0.5087275230297181 Energy: 0.5087288905587649 Energy: 0.327306081756444 Energy: 0.480294275066361 Energy: 0.48029427063310043 minimum gb energy = 0.327306081756444 eV minimum distance = 2.5159349391342 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.4590894187981357 Energy: 0.5221260486918403 Energy: 0.5221260262654114 Energy: 0.3254880295361417 Energy: 0.4378382108139034 Energy: 0.43783928520649545 Energy: 0.3183618180840709 Energy: 0.4494791293472609 Energy: 0.4494791293075129 Energy: 0.3783218147123773 Energy: 0.44977386340708925 Energy: 0.4497738634065593 Energy: 0.3183618792205385 Energy: 0.4497738221119393 Energy: 0.4497738109625624 Energy: 0.318361819633037 Energy: 0.4378383612869369 Energy: 0.43783805702102346 Energy: 0.3254882346415265 Energy: 0.5239311182983445 Energy: 0.5239315015004432 Energy: 0.45908949659642095 Energy: 0.4417261508779632 Energy: 0.44172534994492435 Energy: 0.3963403851513005 Energy: 0.4539658685508215 Energy: 0.45396583728839546 Energy: 0.350099508710589 Energy: 0.3175469448043988 Energy: 0.31754694440918363 minimum gb energy = 0.31754694440918363 eV minimum distance = 2.58779260735674 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.5049946896688516 Energy: 0.5130693197269288 Energy: 0.5130692982000913 Energy: 0.31104894440941516 Energy: 0.54778686449059 Energy: 0.5477863605865374 Energy: 0.3115379295579014 Energy: 0.5099497417661235 Energy: 0.5099497352212139 Energy: 0.37521611218668705 Energy: 0.5164807628311696 Energy: 0.5164807466534032 Energy: 0.3752163129851001 Energy: 0.4114648564184192 Energy: 0.4114607957092228 Energy: 0.3098619640285799 Energy: 0.4394858022471753 Energy: 0.43948625296275584 Energy: 0.30835955985894165 Energy: 0.43038985347364 Energy: 0.43038991722500114 Energy: 0.5486660230840478 Energy: 0.40756962686119136 Energy: 0.40756951477341247 Energy: 0.3832584384978353 Energy: 0.43300414439057994 Energy: 0.433004250920053 Energy: 0.30787808965373176 Energy: 0.481465412870632 Energy: 0.48146757005130725 minimum gb energy = 0.30787808965373176 eV minimum distance = 2.52136333386118 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.4336060159112956 Energy: 0.49407570699389336 Energy: 0.49407576902092276 Energy: 0.3164912908112393 Energy: 0.49214569935464986 Energy: 0.4921489222375982 Energy: 0.288807072243995 Energy: 0.4756022635209635 Energy: 0.47560184097412117 Energy: 0.2898324351361084 Energy: 0.41455929347723885 Energy: 0.41455929826140603 Energy: 0.36941810094779154 Energy: 0.41455929517625917 Energy: 0.41455929663223107 Energy: 0.2888070698034396 Energy: 0.36537700572506077 Energy: 0.36537697449125 Energy: 0.4022422204799056 Energy: 0.4969444310092822 Energy: 0.4969276704256566 Energy: 0.4336054234327916 Energy: 0.4154273879471273 Energy: 0.41542738669745316 Energy: 0.31649128751749656 Energy: 0.47685188053906574 Energy: 0.47685186567748483 Energy: 0.3003178729916624 Energy: 0.4921456938390599 Energy: 0.492146023374086 minimum gb energy = 0.2888070698034396 eV minimum distance = 2.59641193449175 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.44966921614271343 Energy: 0.4667094201646746 Energy: 0.46666670533120785 Energy: 0.46565454477892365 Energy: 0.33427826548574036 Energy: 0.33427858917340836 Energy: 0.2790543072484904 Energy: 0.3961609305036979 Energy: 0.39616090982392715 Energy: 0.2790542443237714 Energy: 0.4668316722753135 Energy: 0.4668304647039951 Energy: 0.27181971372203834 Energy: 0.3917141916018616 Energy: 0.3917141973028271 Energy: 0.28533390152667654 Energy: 0.4586613927250228 Energy: 0.4586615442693179 Energy: 0.42770793143839714 Energy: 0.3846867147388366 Energy: 0.3846867424815372 Energy: 0.49014434294674764 Energy: 0.47399990614745274 Energy: 0.4740747918204963 Energy: 0.37850082194489393 Energy: 0.47366625437165155 Energy: 0.47366557016071376 Energy: 0.3320115376992989 Energy: 0.3780185709470803 Energy: 0.378018543899573 minimum gb energy = 0.27181971372203834 eV minimum distance = 2.52328670073867 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.46297735336166296 Energy: 0.4412754983164122 Energy: 0.44127226353501026 Energy: 0.4007439430566715 Energy: 0.4290864573912058 Energy: 0.42909438162950264 Energy: 0.26142902031975135 Energy: 0.32069405165040143 Energy: 0.3206934992666535 Energy: 0.2705304202598763 Energy: 0.43917746641902433 Energy: 0.43917717946198576 Energy: 0.2619459151124149 Energy: 0.4435276691806481 Energy: 0.44352833613940557 Energy: 0.3114069630868557 Energy: 0.35906616277929343 Energy: 0.35906613568310736 Energy: 0.2819464984331886 Energy: 0.4445349949442701 Energy: 0.4445349949166683 Energy: 0.4610052892184724 Energy: 0.44349388815487045 Energy: 0.4434953282721963 Energy: 0.46953278819550387 Energy: 0.3099615519576651 Energy: 0.30996154298925893 Energy: 0.270530584111298 Energy: 0.45330556902187774 Energy: 0.4533087484484623 minimum gb energy = 0.26142902031975135 eV minimum distance = 2.61622315480406 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.43691831464538494 Energy: 0.420819743212638 Energy: 0.42081956298805684 Energy: 0.3340256258411262 Energy: 0.47660691527090177 Energy: 0.47660678096087594 Energy: 0.25418273060639096 Energy: 0.4575844484683256 Energy: 0.4575844154373313 Energy: 0.2541828625999436 Energy: 0.4215711482170592 Energy: 0.42157087509848945 Energy: 0.2541828181844162 Energy: 0.42028163347707187 Energy: 0.4202677393895279 Energy: 0.25418288509136894 Energy: 0.4296334839222526 Energy: 0.42963405922701114 Energy: 0.3340256462963488 Energy: 0.4202758284430744 Energy: 0.4202614227489579 Energy: 0.4614513838242853 Energy: 0.348223488980762 Energy: 0.3482233700600575 Energy: 0.3340256496903687 Energy: 0.42028387843150794 Energy: 0.42026397496698764 Energy: 0.24742427825446056 Energy: 0.4146729326644584 Energy: 0.41467161415084086 minimum gb energy = 0.24742427825446056 eV minimum distance = 2.56677294879811 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.41465985735406763 Energy: 0.40235535364986574 Energy: 0.4023486086573661 Energy: 0.3204628231145988 Energy: 0.3930862410883649 Energy: 0.39308625934896746 Energy: 0.3409985524656035 Energy: 0.2472315236536347 Energy: 0.24723152022500683 Energy: 0.23590143379039172 Energy: 0.40276671949019854 Energy: 0.4027606290784908 Energy: 0.24752918968522772 Energy: 0.3978680868983467 Energy: 0.3978681513971151 Energy: 0.24075888858946912 Energy: 0.39284572329097917 Energy: 0.39285163380317917 Energy: 0.5483056149079756 Energy: 0.2436831709737897 Energy: 0.2436831560532976 Energy: 0.4611855815778261 Energy: 0.40266178576858264 Energy: 0.4026636098564414 Energy: 0.32046261317698943 Energy: 0.4388963207355202 Energy: 0.43886855957691545 Energy: 0.2404629610475878 Energy: 0.40266176432659484 Energy: 0.4026617600846389 minimum gb energy = 0.23590143379039172 eV minimum distance = 2.61943145584873 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.44185165087766 Energy: 0.3846354941252082 Energy: 0.3846357904755177 Energy: 0.45289637031031177 Energy: 0.29847640940679704 Energy: 0.2984763038251011 Energy: 0.2347881245167459 Energy: 0.38125778829514273 Energy: 0.3812579811659318 Energy: 0.2234411724159107 Energy: 0.35770785244031006 Energy: 0.3577071900872502 Energy: 0.23478812263927987 Energy: 0.3861052764759976 Energy: 0.3861052634179946 Energy: 0.22927949295561623 Energy: 0.365229211473053 Energy: 0.36522609468368095 Energy: 0.30145563185160784 Energy: 0.3910155243276749 Energy: 0.39100725510697004 Energy: 0.43885297193960515 Energy: 0.3772465961086191 Energy: 0.3772488623069728 Energy: 0.36827712710567445 Energy: 0.3860703642881843 Energy: 0.3860739471543873 Energy: 0.2317895079721388 Energy: 0.38530601111563456 Energy: 0.38530547342478755 minimum gb energy = 0.2234411724159107 eV minimum distance = 2.61759086703603 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.42155317160816447 Energy: 0.3704425916963621 Energy: 0.3704424818151112 Energy: 0.29124869424300254 Energy: 0.37059963883538055 Energy: 0.3708101522314668 Energy: 0.2572501888871747 Energy: 0.3555891463300116 Energy: 0.35558921597829674 Energy: 0.21431692535695313 Energy: 0.3508707775726832 Energy: 0.35087168406863783 Energy: 0.21993916097756266 Energy: 0.3712636952021729 Energy: 0.3710950271597516 Energy: 0.22413039241021307 Energy: 0.4096867796721013 Energy: 0.40968678070663583 Energy: 0.29124869726234776 Energy: 0.36565739723365753 Energy: 0.36565738519752217 Energy: 0.4621195439708695 Energy: 0.3555887271667553 Energy: 0.3555890436270292 Energy: 0.4304218036762389 Energy: 0.28317628853644305 Energy: 0.28317631168638396 Energy: 0.2776759770772892 Energy: 0.34392018671710706 Energy: 0.3439178359453657 minimum gb energy = 0.21431692535695313 eV minimum distance = 2.56859397665092 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.40360956228346145 Energy: 0.3558085934840292 Energy: 0.35580943779062 Energy: 0.282183132270362 Energy: 0.3553491574202694 Energy: 0.3553483479681928 Energy: 0.21492951510590158 Energy: 0.3563052336615183 Energy: 0.35630555107509504 Energy: 0.21169635476146353 Energy: 0.35005166378836833 Energy: 0.35005087284301184 Energy: 0.2092719208979152 Energy: 0.33852063616299716 Energy: 0.33851974846854227 Energy: 0.3872892374381076 Energy: 0.2720185914610946 Energy: 0.27201859024002817 Energy: 0.3790164190310502 Energy: 0.29845351958701427 Energy: 0.2984534490139046 Energy: 0.4417005298560551 Energy: 0.35095078069686353 Energy: 0.35094627510996956 Energy: 0.33709448079934334 Energy: 0.3634743996687335 Energy: 0.3630807953047279 Energy: 0.2194157882836692 Energy: 0.389575453969075 Energy: 0.3895754077391855 minimum gb energy = 0.2092719208979152 eV minimum distance = 2.62331939961239 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.01168256549857786 Energy: 0.011682565488232488 Energy: 0.011682565486151635 Energy: 0.011682565493061637 Energy: 0.19910012226279056 Energy: 0.19910012226657928 Energy: 0.01168256549029371 Energy: 0.19910012226106305 Energy: 0.19910012225933554 Energy: 0.011682565486504988 Energy: 0.19910012226175014 Energy: 0.19910012225933554 Energy: 0.011682565488232488 Energy: 0.19910012225898222 Energy: 0.19910012227038762 Energy: 0.011682565484777488 Energy: 0.19910012226312426 Energy: 0.19910012226037596 Energy: 0.011682565487525784 Energy: 0.1991001222648518 Energy: 0.19910012226553883 Energy: 0.011682565487525784 Energy: 0.011682565497557064 Energy: 0.011682565494435785 Energy: 0.01168256549168749 Energy: 0.19910012226106305 Energy: 0.19910012226106305 Energy: 0.011682565492021211 Energy: 0.1991001222624372 Energy: 0.19910012225898222 minimum gb energy = 0.011682565484777488 eV minimum distance = 2.83998232459304 Angstroms sigma value = 1