model_name=Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000 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=4.066269248723984 cohesive_energy=3.355673813773726 mass=26.981538 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: -0.053184247221864794 Energy: -0.05318424722040516 Energy: -0.05318424722525226 Energy: -0.05318424722525226 Energy: -0.05318424722233298 Energy: -0.05318424722233298 Energy: -0.053184247225720446 Energy: 0.5035422381547938 Energy: 0.5035422381761377 Energy: -0.053184247225720446 Energy: -0.053184247226684356 Energy: -0.05318424722136907 Energy: -0.053184247221864794 Energy: -0.05318424722621617 Energy: -0.05318424722233298 Energy: 0.14358123970436587 Energy: -0.053184247220873344 Energy: -0.05318424722233298 Energy: -0.05318424722379263 Energy: -0.053184247221864794 Energy: -0.053184247221864794 Energy: -0.05318424722136907 Energy: -0.05318424722621617 Energy: -0.05318424722233298 Energy: -0.05318424722233298 Energy: 0.5035422381547938 Energy: 0.5035422381562535 Energy: -0.053184247220873344 Energy: -0.0531842472232969 Energy: -0.05318424722426081 minimum gb energy = -0.053184247226684356 eV minimum distance = 2.87518462893292 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.3444038578959244 Energy: 0.25572215476546595 Energy: 0.25572110007092963 Energy: 0.21174095237478757 Energy: 0.24157823747466936 Energy: 0.24157587906900224 Energy: 0.21337116430002342 Energy: 0.30376045464447543 Energy: 0.3038202854730294 Energy: 0.21250716803206213 Energy: 0.2729522388719631 Energy: 0.272973811364366 Energy: 0.29786153643344204 Energy: 0.2560625876587445 Energy: 0.256064349003219 Energy: 0.17396176676940472 Energy: 0.27155909822959884 Energy: 0.271558620164612 Energy: 0.2562274922432893 Energy: 0.2560646047384312 Energy: 0.25606359427182457 Energy: 0.2370584848602615 Energy: 0.29932215854305144 Energy: 0.2996559631130433 Energy: 0.22795530305786796 Energy: 0.3604370653829426 Energy: 0.3604779379669886 Energy: 0.23705937457424175 Energy: 0.25972217248425017 Energy: 0.2597228015672699 minimum gb energy = 0.17396176676940472 eV minimum distance = 2.54709305214577 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.36594548852882863 Energy: 0.29305187531662674 Energy: 0.2930520382634155 Energy: 0.19975734747963372 Energy: 0.2936606050662205 Energy: 0.293660355494782 Energy: 0.23838186386546534 Energy: 0.2934729806391146 Energy: 0.29347348489728425 Energy: 0.2540074155714043 Energy: 0.2970979192384823 Energy: 0.29709675935160984 Energy: 0.20384602753011113 Energy: 0.29303789654552165 Energy: 0.2930380124911417 Energy: 0.34004560132847483 Energy: 0.29421666478820796 Energy: 0.29421141719932303 Energy: 0.21153322933722965 Energy: 0.29347316046974425 Energy: 0.2934728368861875 Energy: 0.22296966406060176 Energy: 0.2970967830943414 Energy: 0.2970968457611746 Energy: 0.28005900975728837 Energy: 0.2934730090304883 Energy: 0.29347377842288047 Energy: 0.21828624526674015 Energy: 0.34003848009672716 Energy: 0.34004398415907755 minimum gb energy = 0.19975734747963372 eV minimum distance = 2.28946215071483 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.3869504171536909 Energy: 0.31553781349637566 Energy: 0.31553781156189503 Energy: 0.27664849546672377 Energy: 0.32079875248438044 Energy: 0.3208033343633812 Energy: 0.2765893055920336 Energy: 0.268744716194753 Energy: 0.2690732553489307 Energy: 0.26764291608127305 Energy: 0.3719531317046265 Energy: 0.371276171577403 Energy: 0.33464592567017587 Energy: 0.2887158917460648 Energy: 0.2887282154315604 Energy: 0.2317109922484453 Energy: 0.33382518765615976 Energy: 0.33382518765798475 Energy: 0.29007391767729895 Energy: 0.28929287233589507 Energy: 0.28936083696660214 Energy: 0.28583066474315577 Energy: 0.45376985764181377 Energy: 0.453770133105163 Energy: 0.3143530241614403 Energy: 0.2887206453058613 Energy: 0.28872563802572704 Energy: 0.2731969185376254 Energy: 0.35677726050843617 Energy: 0.3567768731276098 minimum gb energy = 0.2317109922484453 eV minimum distance = 2.28816402864563 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.41000867749815495 Energy: 0.35682215759016916 Energy: 0.35682030841694 Energy: 0.30668294448767236 Energy: 0.3972743356836987 Energy: 0.397280456042563 Energy: 0.2911446848745398 Energy: 0.328605926175569 Energy: 0.32861241648123474 Energy: 0.30485541594881627 Energy: 0.3391626976636153 Energy: 0.3391568255178693 Energy: 0.34119779417006424 Energy: 0.40780722710063894 Energy: 0.4078047077273739 Energy: 0.38024441517256913 Energy: 0.33026053441852377 Energy: 0.3302627892275308 Energy: 0.32682716532116984 Energy: 0.41596957855428707 Energy: 0.41588740120869433 Energy: 0.2762538428563015 Energy: 0.36445615289270855 Energy: 0.364456273911426 Energy: 0.321299041026716 Energy: 0.3226948812839516 Energy: 0.32275942072170277 Energy: 0.3291564877228526 Energy: 0.35926585282681983 Energy: 0.35941136287433406 minimum gb energy = 0.2762538428563015 eV minimum distance = 2.54910815934549 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.4494087301269164 Energy: 0.4088580163153743 Energy: 0.40885330415138554 Energy: 0.37294844444412856 Energy: 0.41062452255960746 Energy: 0.41062269972371496 Energy: 0.35569006601479003 Energy: 0.3931882114339655 Energy: 0.3931901552272697 Energy: 0.3385321273560338 Energy: 0.3941154893433493 Energy: 0.40017208764302253 Energy: 0.3653965109963539 Energy: 0.3964678704614031 Energy: 0.39635837695681253 Energy: 0.29605605335568996 Energy: 0.4297484096918276 Energy: 0.42974840867460634 Energy: 0.36537359201465 Energy: 0.35950375944184976 Energy: 0.35950231997285886 Energy: 0.3653738010419663 Energy: 0.4423449532464909 Energy: 0.44223569647816297 Energy: 0.3259344353151025 Energy: 0.37782198292081903 Energy: 0.37782186559359615 Energy: 0.35551661329376766 Energy: 0.3693278224529672 Energy: 0.3699826032273306 minimum gb energy = 0.29605605335568996 eV minimum distance = 2.50970585159395 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.44992778065169936 Energy: 0.4275522742771938 Energy: 0.4275535411231465 Energy: 0.40052654908962626 Energy: 0.4386751810416545 Energy: 0.43867821222806425 Energy: 0.3977366261324133 Energy: 0.477912579889444 Energy: 0.4779132632138142 Energy: 0.372044591527822 Energy: 0.4521819839911571 Energy: 0.45229176545118227 Energy: 0.422388415156773 Energy: 0.3827701467917578 Energy: 0.3830306869579402 Energy: 0.42237571152201925 Energy: 0.4237796788749434 Energy: 0.42377948873660853 Energy: 0.36795612113938536 Energy: 0.4443092981519377 Energy: 0.44430520336161616 Energy: 0.38953750799244136 Energy: 0.4408251329642879 Energy: 0.44082508639532136 Energy: 0.39672113390262836 Energy: 0.515678024198509 Energy: 0.5172952013712974 Energy: 0.4668953062461621 Energy: 0.4197035483747189 Energy: 0.4197037736371781 minimum gb energy = 0.36795612113938536 eV minimum distance = 2.30931389689937 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.34797195175278284 Energy: 0.3462078221989389 Energy: 0.3462048156318135 Energy: 0.2852157056664603 Energy: 0.34071690349140704 Energy: 0.34071690422117823 Energy: 0.2450715702966714 Energy: 0.3407168881642667 Energy: 0.3407168982994092 Energy: 0.23326307802902968 Energy: 0.3407168925627959 Energy: 0.34071690234110635 Energy: 0.2444866016957308 Energy: 0.34015228285475885 Energy: 0.34015681405038906 Energy: 0.23999375299878078 Energy: 0.3270192777479828 Energy: 0.3270254856954596 Energy: 0.29747846037780656 Energy: 0.3787437152155636 Energy: 0.3787342180719902 Energy: 0.24506580842918874 Energy: 0.3775656591771887 Energy: 0.377571852921646 Energy: 0.285211524739956 Energy: 0.3407168983866587 Energy: 0.34071689834223107 Energy: 0.3479565834693864 Energy: 0.34071690168836577 Energy: 0.3407168994652815 minimum gb energy = 0.23326307802902968 eV minimum distance = 2.29256898055521 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.3785385552744121 Energy: 0.40173132960293273 Energy: 0.4017331963605172 Energy: 0.32849396482346843 Energy: 0.3263674979413618 Energy: 0.32637185368967453 Energy: 0.3390382863500993 Energy: 0.3242382548003448 Energy: 0.3242382565088159 Energy: 0.34591299067113235 Energy: 0.3249362260856754 Energy: 0.32493643819345647 Energy: 0.35055656714897276 Energy: 0.3519775274766704 Energy: 0.3519589410386068 Energy: 0.35056708850001306 Energy: 0.3519594835664034 Energy: 0.3519820612112761 Energy: 0.3585858466134634 Energy: 0.3519647696830927 Energy: 0.3519661355064905 Energy: 0.3304387277114004 Energy: 0.3242382465067533 Energy: 0.32423734989627034 Energy: 0.32849396480122367 Energy: 0.32637335787747385 Energy: 0.3263766140592574 Energy: 0.3785386534358266 Energy: 0.3298899700215163 Energy: 0.32988978373559247 minimum gb energy = 0.32423734989627034 eV minimum distance = 2.31667780696448 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.4419462083432275 Energy: 0.4101144628475694 Energy: 0.41011376635446456 Energy: 0.3677223045581394 Energy: 0.46150255571172216 Energy: 0.46150251658074815 Energy: 0.42741732127864135 Energy: 0.38809235038609774 Energy: 0.38809170042392266 Energy: 0.3434412883908516 Energy: 0.41463777658629114 Energy: 0.4146418536747224 Energy: 0.3728068527111455 Energy: 0.5035621295220923 Energy: 0.5035720463385083 Energy: 0.36974541524662513 Energy: 0.36498769439815126 Energy: 0.3650036687251335 Energy: 0.383984208043749 Energy: 0.4074943164687673 Energy: 0.40749995196337724 Energy: 0.3718556853776647 Energy: 0.4842155458295246 Energy: 0.48421771500575517 Energy: 0.3241437751875423 Energy: 0.4522687502444338 Energy: 0.4522687501999405 Energy: 0.4419163723205089 Energy: 0.4121171462105991 Energy: 0.41213106880199835 minimum gb energy = 0.3241437751875423 eV minimum distance = 2.31651786509308 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.4251657796503495 Energy: 0.3994884964228764 Energy: 0.3994773226210318 Energy: 0.43930163197623323 Energy: 0.3976554306475181 Energy: 0.3976554269626401 Energy: 0.360606625519661 Energy: 0.43604343515208904 Energy: 0.4360355654615354 Energy: 0.35877585539924123 Energy: 0.4562946855293188 Energy: 0.4562946857177644 Energy: 0.4002553549384287 Energy: 0.4092942765523709 Energy: 0.4093274329109508 Energy: 0.34898534877568854 Energy: 0.39751437641345766 Energy: 0.3975144702596786 Energy: 0.3668645453643214 Energy: 0.5736288400500079 Energy: 0.5736290606146164 Energy: 0.3358054392477129 Energy: 0.4661604939353075 Energy: 0.4661604797616932 Energy: 0.3587766849879396 Energy: 0.39751455993386103 Energy: 0.3975143284317428 Energy: 0.4251634145974518 Energy: 0.3994650838331428 Energy: 0.39948825566810403 minimum gb energy = 0.3358054392477129 eV minimum distance = 2.3136746329327 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.47022847448919014 Energy: 0.4147704358928472 Energy: 0.41475999264496727 Energy: 0.3781070410024709 Energy: 0.4983382433279848 Energy: 0.49834472924203255 Energy: 0.3847253374502109 Energy: 0.45316332795476905 Energy: 0.45315959281093376 Energy: 0.3901836660218129 Energy: 0.46222210256983576 Energy: 0.4622221026866225 Energy: 0.4277372287383545 Energy: 0.4464279966154343 Energy: 0.44644978107441885 Energy: 0.43803306800111314 Energy: 0.4655448800356406 Energy: 0.4655436100797006 Energy: 0.38503143693483594 Energy: 0.4123288432116647 Energy: 0.4123188434338737 Energy: 0.4123329543452969 Energy: 0.42894667530969444 Energy: 0.4204932885093341 Energy: 0.4247383106346371 Energy: 0.4978395164226551 Energy: 0.49781179368263273 Energy: 0.4206580774946557 Energy: 0.4174808133682254 Energy: 0.4174805720949195 minimum gb energy = 0.3781070410024709 eV minimum distance = 2.33285965030166 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.4637375087777672 Energy: 0.47865405936429756 Energy: 0.4786507264863744 Energy: 0.4222537912431147 Energy: 0.42225161208113304 Energy: 0.4222671329237499 Energy: 0.4978042975421019 Energy: 0.5397294498703501 Energy: 0.5397294497779508 Energy: 0.46707736853154647 Energy: 0.5595878606365312 Energy: 0.5596020016603264 Energy: 0.4222663496556465 Energy: 0.42226704921352504 Energy: 0.42226222986163936 Energy: 0.4222671737684915 Energy: 0.42538036083116937 Energy: 0.4253872018936269 Energy: 0.39810451750902176 Energy: 0.4985056427569401 Energy: 0.4985092961195476 Energy: 0.4284132552736397 Energy: 0.5076419211201615 Energy: 0.5076370780746754 Energy: 0.4527975092380432 Energy: 0.4222662260748029 Energy: 0.4222661392247575 Energy: 0.4222666077389996 Energy: 0.47508587978234407 Energy: 0.4750213438178758 minimum gb energy = 0.39810451750902176 eV minimum distance = 2.37671490405492 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.507953912369933 Energy: 0.4901893804388864 Energy: 0.4901893805940338 Energy: 0.4856163844889569 Energy: 0.6011820067980461 Energy: 0.6011790385516568 Energy: 0.4825171801810783 Energy: 0.4636793884675837 Energy: 0.46367563010800433 Energy: 0.5296660588484386 Energy: 0.5220540211118291 Energy: 0.5220630000123947 Energy: 0.4599277961513427 Energy: 0.46755724911277313 Energy: 0.4675572491218774 Energy: 0.5065613640061362 Energy: 0.503574961879468 Energy: 0.50358133232765 Energy: 0.4415720293934068 Energy: 0.47128287247449235 Energy: 0.47128246914663796 Energy: 0.5089333544948951 Energy: 0.4415728178728887 Energy: 0.44157231725035917 Energy: 0.4747133764374094 Energy: 0.46129456590370255 Energy: 0.46125217006700125 Energy: 0.5207942663818241 Energy: 0.45993156616053416 Energy: 0.4599453612576053 minimum gb energy = 0.4415720293934068 eV minimum distance = 2.37698689534437 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.4880190396461418 Energy: 0.4499336611502822 Energy: 0.4499169686826709 Energy: 0.44213634831721754 Energy: 0.445639668045701 Energy: 0.44563930037081967 Energy: 0.5742022476231251 Energy: 0.6201648667879514 Energy: 0.6201719995490996 Energy: 0.48296021079741586 Energy: 0.626702242124204 Energy: 0.6266985096725277 Energy: 0.4829617183540984 Energy: 0.5518508642482166 Energy: 0.5519506490110945 Energy: 0.4590178020279461 Energy: 0.44982642934822564 Energy: 0.4498264302356703 Energy: 0.4369627666069368 Energy: 0.5460712455825849 Energy: 0.546071293403811 Energy: 0.4369624523497978 Energy: 0.4590183604356743 Energy: 0.4590322250032782 Energy: 0.5115359335060773 Energy: 0.4637272562982097 Energy: 0.46372731606879575 Energy: 0.5115360742969004 Energy: 0.46372847981325904 Energy: 0.46372722197134014 minimum gb energy = 0.4369624523497978 eV minimum distance = 2.33527131101996 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.4707384940586784 Energy: 0.4260923295886456 Energy: 0.42608981939176227 Energy: 0.42248276503725546 Energy: 0.44238227528568463 Energy: 0.4423768387623401 Energy: 0.4224843657797066 Energy: 0.4980167017938458 Energy: 0.49801808240649725 Energy: 0.4385436044432532 Energy: 0.426137719088579 Energy: 0.4260967414392002 Energy: 0.4224828037854808 Energy: 0.43385856346374235 Energy: 0.4338647317615909 Energy: 0.42248272144642524 Energy: 0.4993568196156232 Energy: 0.49940490760384365 Energy: 0.41912645958068634 Energy: 0.4261380156059083 Energy: 0.4261205742802414 Energy: 0.4375318805241659 Energy: 0.42834641562386133 Energy: 0.4283474732408602 Energy: 0.42248249499357154 Energy: 0.43170454819888754 Energy: 0.43170022964774085 Energy: 0.4044667257183352 Energy: 0.46052086815559146 Energy: 0.46058998278364566 minimum gb energy = 0.4044667257183352 eV minimum distance = 2.28065659391799 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.4036454480392404 Energy: 0.3629238773551891 Energy: 0.362933036525618 Energy: 0.39401118887933706 Energy: 0.483180082116683 Energy: 0.48318116769385294 Energy: 0.35857405254118635 Energy: 0.3699792221879142 Energy: 0.36997438271678595 Energy: 0.35988287851298234 Energy: 0.3940107543002751 Energy: 0.39399975856766967 Energy: 0.34964754495749956 Energy: 0.3549747762320973 Energy: 0.3549507714720421 Energy: 0.4605841730754539 Energy: 0.41396830030229254 Energy: 0.41396602168146984 Energy: 0.3821314736471156 Energy: 0.35866638701485865 Energy: 0.35865920090794046 Energy: 0.35497472223134896 Energy: 0.41647345086415255 Energy: 0.416470077245872 Energy: 0.3971175256541065 Energy: 0.3603951884728576 Energy: 0.36038808290589075 Energy: 0.35494277987594725 Energy: 0.3428661458459976 Energy: 0.3428893163542636 minimum gb energy = 0.3428661458459976 eV minimum distance = 2.31722319327877 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.48658019168892225 Energy: 0.42643703136482736 Energy: 0.42659574054855953 Energy: 0.42185309384705366 Energy: 0.4264794742012373 Energy: 0.42643473150612876 Energy: 0.4263372532247337 Energy: 0.474454335179947 Energy: 0.47438233605692093 Energy: 0.42642170586887573 Energy: 0.44132086649361185 Energy: 0.4412929820550811 Energy: 0.44100001253051124 Energy: 0.44884589351874205 Energy: 0.4488462199029055 Energy: 0.4562116858326417 Energy: 0.5480884044047616 Energy: 0.5480993550781703 Energy: 0.517363969978518 Energy: 0.46466322336595134 Energy: 0.46466838781784553 Energy: 0.46156584454751776 Energy: 0.44134444197628186 Energy: 0.4413195993551397 Energy: 0.442892144538133 Energy: 0.4246232564720163 Energy: 0.42446091869062796 Energy: 0.406988978753284 Energy: 0.5118138754010576 Energy: 0.5118109284492924 minimum gb energy = 0.406988978753284 eV minimum distance = 2.29286211416056 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.47799313819551237 Energy: 0.4234234477892472 Energy: 0.42342509031587267 Energy: 0.494391420634321 Energy: 0.4066527656078692 Energy: 0.40665315405035823 Energy: 0.6514215917201998 Energy: 0.4234833533389175 Energy: 0.42471232123261865 Energy: 0.4144915198658148 Energy: 0.43709573827768616 Energy: 0.4370956646829228 Energy: 0.5340269634851429 Energy: 0.418993241061128 Energy: 0.4189999160921931 Energy: 0.41442704629897564 Energy: 0.47592115403377666 Energy: 0.4759178293665004 Energy: 0.5333271587471962 Energy: 0.581245073499213 Energy: 0.5812387548581939 Energy: 0.40665429117016333 Energy: 0.5710548088083174 Energy: 0.5710573617927003 Energy: 0.4189938150968682 Energy: 0.41389491145941293 Energy: 0.4138946643111664 Energy: 0.4370952133611582 Energy: 0.414413464370442 Energy: 0.4145106441696872 minimum gb energy = 0.4066527656078692 eV minimum distance = 2.39751973325955 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.44877230960986403 Energy: 0.3938815984568666 Energy: 0.39385751961908433 Energy: 0.38901061480678034 Energy: 0.44376560302615053 Energy: 0.44380100044512466 Energy: 0.4256194964070523 Energy: 0.4693865305102308 Energy: 0.4695097706020606 Energy: 0.4338433254962213 Energy: 0.40368664916521846 Energy: 0.40376035355651424 Energy: 0.4193580147142428 Energy: 0.44204024668365943 Energy: 0.44204024661749525 Energy: 0.4603187896924221 Energy: 0.47928401902970086 Energy: 0.47927703432080837 Energy: 0.4188437698555127 Energy: 0.3909524743457824 Energy: 0.3907948919626846 Energy: 0.3782043685206889 Energy: 0.4179846038628205 Energy: 0.4180018049750827 Energy: 0.48717719387369257 Energy: 0.46130117256126263 Energy: 0.4613653932761891 Energy: 0.4143972536048136 Energy: 0.4036655092039221 Energy: 0.4038439426882829 minimum gb energy = 0.3782043685206889 eV minimum distance = 2.32875111314411 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.49267737288780555 Energy: 0.4558435201933534 Energy: 0.4558436333241692 Energy: 0.4499120010401769 Energy: 0.5383408017516697 Energy: 0.5383408007152689 Energy: 0.5775461539316948 Energy: 0.5783545366818597 Energy: 0.5783756906590283 Energy: 0.4499112972222823 Energy: 0.45584514233763285 Energy: 0.4558416839408909 Energy: 0.47385547657342253 Energy: 0.455842337750486 Energy: 0.45584435751829383 Energy: 0.5438882161077022 Energy: 0.5362516852809721 Energy: 0.5362394938916362 Energy: 0.4500326456176583 Energy: 0.5616729297351153 Energy: 0.5616678664913243 Energy: 0.44993832693143265 Energy: 0.45584397321417935 Energy: 0.45584368140584997 Energy: 0.47387009385614054 Energy: 0.484122610557526 Energy: 0.48416312581555737 Energy: 0.5801406862226676 Energy: 0.5209557987980094 Energy: 0.5209617882102535 minimum gb energy = 0.4499112972222823 eV minimum distance = 2.32426291129697 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.4273056149801716 Energy: 0.3873882250969209 Energy: 0.3873828739734684 Energy: 0.38565018189281247 Energy: 0.44114646264873386 Energy: 0.4410275260608232 Energy: 0.385694014581675 Energy: 0.4385963782441658 Energy: 0.438593451711311 Energy: 0.38568801108862233 Energy: 0.4262101981168106 Energy: 0.4262020204579241 Energy: 0.45718543173518283 Energy: 0.4132070256405182 Energy: 0.4132707915387425 Energy: 0.5410223129736473 Energy: 0.4817422909205356 Energy: 0.48182271559071493 Energy: 0.3856961771358007 Energy: 0.43876729813907384 Energy: 0.43865050065553074 Energy: 0.40766710810220996 Energy: 0.5165831548103849 Energy: 0.5165817430260861 Energy: 0.4132708056135182 Energy: 0.38737570186883274 Energy: 0.38738279644950024 Energy: 0.3856970481649547 Energy: 0.5354379537305216 Energy: 0.5354469810851713 minimum gb energy = 0.38565018189281247 eV minimum distance = 2.22819559800695 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.4987116401560702 Energy: 0.43883591165817204 Energy: 0.43883380572820013 Energy: 0.6144666027248724 Energy: 0.5067973649614151 Energy: 0.5067977506617215 Energy: 0.46998535631446026 Energy: 0.5364315975109681 Energy: 0.5364385880108666 Energy: 0.43743158921941183 Energy: 0.5849529204790966 Energy: 0.5851145682399047 Energy: 0.5727199409884621 Energy: 0.5110953607625387 Energy: 0.5111022928277802 Energy: 0.43742128336985064 Energy: 0.5939516464060459 Energy: 0.5939527108547089 Energy: 0.44740168922473283 Energy: 0.5364819896037535 Energy: 0.5364318593406742 Energy: 0.5678655601871202 Energy: 0.5067946113710561 Energy: 0.5068014483811384 Energy: 0.4851726014865365 Energy: 0.4388346997910086 Energy: 0.4388304362615085 Energy: 0.617571357998282 Energy: 0.51916380908966 Energy: 0.5191638089244438 minimum gb energy = 0.43742128336985064 eV minimum distance = 2.20808498213833 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.47407168454593207 Energy: 0.4443989489153475 Energy: 0.4444167671625772 Energy: 0.4223510941961084 Energy: 0.4490168228765483 Energy: 0.4490171526613963 Energy: 0.4277311758817573 Energy: 0.5386208436643589 Energy: 0.5318978667617486 Energy: 0.40766092941070914 Energy: 0.44319216141082884 Energy: 0.44319540943927044 Energy: 0.5079865850069313 Energy: 0.4739698360313073 Energy: 0.4739847108221914 Energy: 0.40766077687373103 Energy: 0.4432384580927701 Energy: 0.443234725382972 Energy: 0.4277347277054174 Energy: 0.5320036511367178 Energy: 0.5320983757921517 Energy: 0.4223739276191164 Energy: 0.4490146177146392 Energy: 0.4490190958654016 Energy: 0.4744078226537184 Energy: 0.44440270136505833 Energy: 0.44439747985820127 Energy: 0.42235954967475164 Energy: 0.4490259858002379 Energy: 0.44901655838993737 minimum gb energy = 0.40766077687373103 eV minimum distance = 2.20186927904736 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.3699340306578826 Energy: 0.5806499051096099 Energy: 0.5806515529701587 Energy: 0.44496746330666337 Energy: 0.3291861288355019 Energy: 0.32918510947276897 Energy: 0.3699358422608426 Energy: 0.46113356267701894 Energy: 0.4611339222624843 Energy: 0.5205379320052778 Energy: 0.3291939204704586 Energy: 0.32918561567010984 Energy: 0.3699374504612852 Energy: 0.580681754337834 Energy: 0.5806480011941493 Energy: 0.48884079881347103 Energy: 0.3291854377557558 Energy: 0.3291843955416021 Energy: 0.3699351875119187 Energy: 0.46109187494056253 Energy: 0.4610979039831209 Energy: 0.5184728794941483 Energy: 0.44730456838118426 Energy: 0.4473034803310108 Energy: 0.36993429156343954 Energy: 0.5806528709589167 Energy: 0.5806594558299475 Energy: 0.48883447218826287 Energy: 0.6225815195693606 Energy: 0.6225859780813973 minimum gb energy = 0.3291843955416021 eV minimum distance = 2.40841071160119 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.4717669315807524 Energy: 0.4123567742615656 Energy: 0.41235666528041315 Energy: 0.5763500234038922 Energy: 0.45270051479841217 Energy: 0.4526884539682936 Energy: 0.3923258120025062 Energy: 0.4602348674646506 Energy: 0.46026629061456725 Energy: 0.3995901191003235 Energy: 0.4483255793088682 Energy: 0.4482885668486399 Energy: 0.40905840724293846 Energy: 0.4933386801096642 Energy: 0.49333867976713264 Energy: 0.40404770730195744 Energy: 0.4461333371709713 Energy: 0.4461333371774924 Energy: 0.6238045626872947 Energy: 0.44898778776191 Energy: 0.4490499290224981 Energy: 0.4540805131937764 Energy: 0.454318754430033 Energy: 0.4543170584384832 Energy: 0.5806984430401714 Energy: 0.43235514741126635 Energy: 0.4323174948874484 Energy: 0.4100796056397721 Energy: 0.42213629282463067 Energy: 0.4222377605556738 minimum gb energy = 0.3923258120025062 eV minimum distance = 2.21463272744451 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.5091592164437108 Energy: 0.4806057490594023 Energy: 0.48059617318000947 Energy: 0.452614223710454 Energy: 0.4858727421610084 Energy: 0.4858720286022271 Energy: 0.43106079007440334 Energy: 0.5452428428838925 Energy: 0.55816474938005 Energy: 0.41348192293824126 Energy: 0.5207294982329795 Energy: 0.5207791170842991 Energy: 0.4702889859311551 Energy: 0.5023518257974658 Energy: 0.5023581726079461 Energy: 0.49383513092820175 Energy: 0.48037610395016245 Energy: 0.4803736864097938 Energy: 0.6026697028431778 Energy: 0.43433996086435356 Energy: 0.4341403317050369 Energy: 0.5554804410565882 Energy: 0.41348050637390726 Energy: 0.4135199613731137 Energy: 0.5625794075529619 Energy: 0.4960422199188114 Energy: 0.496022716835018 Energy: 0.5382666989289668 Energy: 0.49884548347931246 Energy: 0.4989127100473236 minimum gb energy = 0.41348050637390726 eV minimum distance = 2.34945044673186 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.39314682935865475 Energy: 0.4363365931646092 Energy: 0.4363207810303421 Energy: 0.5242367424538357 Energy: 0.37050271474274876 Energy: 0.37051408970065547 Energy: 0.4202260024398881 Energy: 0.4733364345996184 Energy: 0.4733502083984802 Energy: 0.3638817764300416 Energy: 0.4714868254119605 Energy: 0.4714544305000467 Energy: 0.4225167040334769 Energy: 0.4358977703120719 Energy: 0.43595761256126275 Energy: 0.3638817078239483 Energy: 0.47837084721259815 Energy: 0.4782195662394651 Energy: 0.5787918991545025 Energy: 0.46466512338278243 Energy: 0.4647057365446577 Energy: 0.36387979631449474 Energy: 0.4367705933861265 Energy: 0.4364735329815922 Energy: 0.4608372980603344 Energy: 0.3998123990260117 Energy: 0.40004176788609846 Energy: 0.36388785144391605 Energy: 0.39974029823508933 Energy: 0.39973755868687977 minimum gb energy = 0.36387979631449474 eV minimum distance = 2.34030835945076 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.48371958739854604 Energy: 0.46233115824443033 Energy: 0.4624092580029011 Energy: 0.45589166979623186 Energy: 0.4704002141425522 Energy: 0.47039551807882984 Energy: 0.44797083730103343 Energy: 0.5227527558560068 Energy: 0.5199774943333262 Energy: 0.41999074481800897 Energy: 0.46233233574630717 Energy: 0.4623332891902414 Energy: 0.47899207273732375 Energy: 0.5533349535660039 Energy: 0.5533296090856583 Energy: 0.40270831425778186 Energy: 0.5030801319270692 Energy: 0.5030978546369451 Energy: 0.4053885779611919 Energy: 0.4961144588099597 Energy: 0.49605381949030175 Energy: 0.4315730232177792 Energy: 0.5450189987612921 Energy: 0.5451022029425786 Energy: 0.41779255075781885 Energy: 0.4455561986517206 Energy: 0.4453595986601237 Energy: 0.4071065133003946 Energy: 0.5156904808892168 Energy: 0.5154734886482994 minimum gb energy = 0.40270831425778186 eV minimum distance = 2.21638532363448 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.5202733706983935 Energy: 0.49831365718061155 Energy: 0.498315673333099 Energy: 0.4798066143167327 Energy: 0.5164428001929424 Energy: 0.5164356182450589 Energy: 0.48453777877403226 Energy: 0.5756164226316282 Energy: 0.5756341697085008 Energy: 0.4418741433587179 Energy: 0.5223592045692705 Energy: 0.5223712098621776 Energy: 0.5982974636824133 Energy: 0.4682224204655249 Energy: 0.4683267609309284 Energy: 0.5429555722206935 Energy: 0.47667109751504155 Energy: 0.47666074741595066 Energy: 0.5496461567709756 Energy: 0.46060485522018274 Energy: 0.4606060941868531 Energy: 0.49547636945416074 Energy: 0.5793086551359387 Energy: 0.5793086532790046 Energy: 0.5202863860333579 Energy: 0.5699006869482243 Energy: 0.5698749132946442 Energy: 0.44229917036187627 Energy: 0.5198596629578742 Energy: 0.5198236841658954 minimum gb energy = 0.4418741433587179 eV minimum distance = 2.20755529095308 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.4778915634573103 Energy: 0.4433769332807518 Energy: 0.44337006574256693 Energy: 0.4305342684548058 Energy: 0.5458064934422849 Energy: 0.545805552764496 Energy: 0.5951191984564538 Energy: 0.46987430991026874 Energy: 0.46995676043677836 Energy: 0.43773232807198964 Energy: 0.5252454841262083 Energy: 0.5251951603758243 Energy: 0.4305768591000002 Energy: 0.5534542549139494 Energy: 0.5535150484237462 Energy: 0.43798760063291564 Energy: 0.5284942241379113 Energy: 0.5287958534638504 Energy: 0.4110757185378975 Energy: 0.45582978220336906 Energy: 0.4557869447953051 Energy: 0.5436871670377308 Energy: 0.4524613752536337 Energy: 0.45247464860286196 Energy: 0.4111743720812455 Energy: 0.5504141747725774 Energy: 0.5504140753687762 Energy: 0.43058975655882376 Energy: 0.5201591191366242 Energy: 0.5201850306308025 minimum gb energy = 0.4110757185378975 eV minimum distance = 2.2146454021777 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.4307426775391334 Energy: 0.40864161738067095 Energy: 0.40848947812128306 Energy: 0.3808349947440477 Energy: 0.40147521848903495 Energy: 0.4014754983350461 Energy: 0.47962606227251164 Energy: 0.5259304881034159 Energy: 0.5259267658955823 Energy: 0.39138871204231873 Energy: 0.44175830757709617 Energy: 0.44187589757289697 Energy: 0.4300432527581145 Energy: 0.5259311741781897 Energy: 0.5259714019030306 Energy: 0.4619416717324456 Energy: 0.4186562870610982 Energy: 0.41864920349212437 Energy: 0.3964064015885259 Energy: 0.4751107235678678 Energy: 0.4751100809303584 Energy: 0.3965161237085347 Energy: 0.48450052018660317 Energy: 0.4845387494714812 Energy: 0.5544420033749425 Energy: 0.40147665165196494 Energy: 0.4014771581987544 Energy: 0.3912799570715114 Energy: 0.479627030593572 Energy: 0.47962621584524134 minimum gb energy = 0.3808349947440477 eV minimum distance = 2.21935398017917 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.3776711416663531 Energy: 0.3627826808302757 Energy: 0.3628986510027751 Energy: 0.3276004250638314 Energy: 0.4094310126823169 Energy: 0.409382330148992 Energy: 0.41107603524590247 Energy: 0.34513585287313353 Energy: 0.34516359486119286 Energy: 0.3664200410084545 Energy: 0.43942946278306033 Energy: 0.43951795372738617 Energy: 0.3452266968896114 Energy: 0.41873320996687907 Energy: 0.418841662608559 Energy: 0.36639499802107556 Energy: 0.43734801202030443 Energy: 0.4372990904911929 Energy: 0.3608980473139425 Energy: 0.4583309992541963 Energy: 0.4583354425220649 Energy: 0.3451563851323477 Energy: 0.5188235547843847 Energy: 0.5188236369346828 Energy: 0.33739116044162737 Energy: 0.4434334335806729 Energy: 0.44343246046029444 Energy: 0.5649926929609179 Energy: 0.3891291563535314 Energy: 0.38927154823687043 minimum gb energy = 0.3276004250638314 eV minimum distance = 2.22688669927833 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.5130017122617118 Energy: 0.48541139813275136 Energy: 0.4854040007726134 Energy: 0.4746860288193499 Energy: 0.5401626064904815 Energy: 0.5401447432702922 Energy: 0.4572149763240762 Energy: 0.5278998507189296 Energy: 0.52789680000165 Energy: 0.44853941714244516 Energy: 0.5205406216674614 Energy: 0.5204957939676946 Energy: 0.6143311401940774 Energy: 0.46421511498176343 Energy: 0.46420632049543575 Energy: 0.5388796156234527 Energy: 0.5453568370086319 Energy: 0.5453595470864673 Energy: 0.463270350210528 Energy: 0.5454252412459577 Energy: 0.5453574368768186 Energy: 0.4793603101075323 Energy: 0.4792396673025101 Energy: 0.479300590775378 Energy: 0.46096889253826984 Energy: 0.5792289184200895 Energy: 0.5790815011253332 Energy: 0.4632230273467991 Energy: 0.5374477874555558 Energy: 0.5368406102245733 minimum gb energy = 0.44853941714244516 eV minimum distance = 2.36012984683893 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.47801788197822515 Energy: 0.4589890162544147 Energy: 0.45892804003437077 Energy: 0.6062778230188252 Energy: 0.43495379706666065 Energy: 0.43488562648828794 Energy: 0.43909186618444757 Energy: 0.49246937263088875 Energy: 0.49251742314488745 Energy: 0.565929745864456 Energy: 0.4379614060786269 Energy: 0.43793601630293566 Energy: 0.43400520297822 Energy: 0.5105255684891645 Energy: 0.5105166185264967 Energy: 0.4616228216735266 Energy: 0.4384187084570968 Energy: 0.4383876201516855 Energy: 0.4273026882879309 Energy: 0.5112611344114755 Energy: 0.5112652936939175 Energy: 0.3984419933288275 Energy: 0.4563618915858489 Energy: 0.4563447824792503 Energy: 0.4383528603880291 Energy: 0.4519583724547631 Energy: 0.4519524060595312 Energy: 0.4064371188919522 Energy: 0.48825800602282826 Energy: 0.4881411388808926 minimum gb energy = 0.3984419933288275 eV minimum distance = 2.34747605791195 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.44981122642079624 Energy: 0.4305824944999292 Energy: 0.4305644991769097 Energy: 0.4298097538209986 Energy: 0.4664829599730886 Energy: 0.46671817697681556 Energy: 0.4205450611836214 Energy: 0.4785189040226187 Energy: 0.47857368209965434 Energy: 0.3985678602919762 Energy: 0.46372135367041717 Energy: 0.46371028187410807 Energy: 0.3756638296492223 Energy: 0.45861046715209075 Energy: 0.45858232159262585 Energy: 0.3735200269672189 Energy: 0.4338483528167086 Energy: 0.43384835288722584 Energy: 0.39392553501856625 Energy: 0.41459556978615436 Energy: 0.41460684567794825 Energy: 0.406484368216427 Energy: 0.43287313890298257 Energy: 0.43290514322784873 Energy: 0.3841538082198746 Energy: 0.43240869283504235 Energy: 0.43241027295337775 Energy: 0.38239914616046045 Energy: 0.413059244076946 Energy: 0.41302323207131514 minimum gb energy = 0.3735200269672189 eV minimum distance = 2.3789421708754 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.5175517665153186 Energy: 0.42168648846080026 Energy: 0.4216864884575487 Energy: 0.43830432698896393 Energy: 0.5175619404707088 Energy: 0.5175517665274626 Energy: 0.399042901585208 Energy: 0.5184733268346341 Energy: 0.5185375035965921 Energy: 0.5175524348125701 Energy: 0.43853021850613444 Energy: 0.438530220976191 Energy: 0.5175518240685607 Energy: 0.517551780103943 Energy: 0.5175658579468672 Energy: 0.49827157783536263 Energy: 0.5184141912174152 Energy: 0.5184141960561643 Energy: 0.5600098260277687 Energy: 0.5187862922602839 Energy: 0.5184172165360366 Energy: 0.5177967034946416 Energy: 0.5175984009352623 Energy: 0.5175517677624786 Energy: 0.49827163376722283 Energy: 0.5179100204668527 Energy: 0.517619349701771 Energy: 0.5600098311102596 Energy: 0.5184688274535932 Energy: 0.5184142891541055 minimum gb energy = 0.399042901585208 eV minimum distance = 2.45747573194625 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.4452278835652132 Energy: 0.43851434034056647 Energy: 0.4385320335356227 Energy: 0.426086230410129 Energy: 0.46728986596954475 Energy: 0.4675840295275945 Energy: 0.4109475129173183 Energy: 0.4336360649375759 Energy: 0.43369302643001645 Energy: 0.3994231498800136 Energy: 0.43871541350908205 Energy: 0.43868075589966543 Energy: 0.43499193202917413 Energy: 0.41800828616058683 Energy: 0.4180015786449963 Energy: 0.4520151353453731 Energy: 0.4047681033682235 Energy: 0.404753704069223 Energy: 0.39296833464613923 Energy: 0.4322912462699237 Energy: 0.43216515892421264 Energy: 0.39763223164291656 Energy: 0.4772180728834036 Energy: 0.47720567393484575 Energy: 0.39749215910185354 Energy: 0.4997313235780663 Energy: 0.4997892308295751 Energy: 0.39739038789623604 Energy: 0.49125823908035654 Energy: 0.491214883296513 minimum gb energy = 0.39296833464613923 eV minimum distance = 2.42293413056062 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.4809557047684666 Energy: 0.4707910551236473 Energy: 0.4707912100276492 Energy: 0.4423319540202165 Energy: 0.4665988053168204 Energy: 0.4666128105311063 Energy: 0.4159984004536138 Energy: 0.43983179270028366 Energy: 0.4397981289407223 Energy: 0.42442001905898624 Energy: 0.5248674115152892 Energy: 0.5248488843606215 Energy: 0.43115007226575935 Energy: 0.5077232227682144 Energy: 0.5077236468937127 Energy: 0.471789702110598 Energy: 0.4626517380259708 Energy: 0.4627607406853536 Energy: 0.43998153658766526 Energy: 0.48852979350521075 Energy: 0.4885806562284277 Energy: 0.440051600866954 Energy: 0.5567371876302731 Energy: 0.5567638141740961 Energy: 0.4119580107967271 Energy: 0.4606980006139617 Energy: 0.4606958188370806 Energy: 0.43986298546491054 Energy: 0.4501381979122748 Energy: 0.4501125792059868 minimum gb energy = 0.4119580107967271 eV minimum distance = 2.41555494347889 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.5175023144353825 Energy: 0.5020177168662762 Energy: 0.502017716875947 Energy: 0.4351091903027115 Energy: 0.5033422228791123 Energy: 0.5033422234970374 Energy: 0.4235587822749837 Energy: 0.511743615426152 Energy: 0.5117436204068305 Energy: 0.4920771492506562 Energy: 0.5238710589236074 Energy: 0.5238282291144134 Energy: 0.45096566156485224 Energy: 0.5434846388092814 Energy: 0.5435483734549789 Energy: 0.4783439984045897 Energy: 0.47015363544067784 Energy: 0.4702450951479586 Energy: 0.48963959297836823 Energy: 0.5370477260045524 Energy: 0.5370744800570205 Energy: 0.45429586186767956 Energy: 0.5454688833542437 Energy: 0.5454894678889588 Energy: 0.4278006933707705 Energy: 0.4920795050690699 Energy: 0.49219065233361065 Energy: 0.4676850157109847 Energy: 0.5031386075074618 Energy: 0.5031383742981983 minimum gb energy = 0.4235587822749837 eV minimum distance = 2.40357037428601 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.5556720113871348 Energy: 0.5300890041289552 Energy: 0.5300846246669061 Energy: 0.4883894247983953 Energy: 0.621041128491657 Energy: 0.6210250829988491 Energy: 0.5054451806422421 Energy: 0.5474108821310613 Energy: 0.547411057196352 Energy: 0.5024334115473635 Energy: 0.5451180336297857 Energy: 0.5451148508703013 Energy: 0.574549548542694 Energy: 0.5340378649175234 Energy: 0.5340460806487879 Energy: 0.6093425906198285 Energy: 0.4914091718238529 Energy: 0.49153212612209946 Energy: 0.5261110860525128 Energy: 0.5054221109608337 Energy: 0.5054364653519705 Energy: 0.4813168545251967 Energy: 0.5773115434489549 Energy: 0.5773138485775022 Energy: 0.50243439764811 Energy: 0.6039022791036271 Energy: 0.6040106224757656 Energy: 0.521928939730233 Energy: 0.5553612767403039 Energy: 0.5553721305069043 minimum gb energy = 0.4813168545251967 eV minimum distance = 2.44814659620386 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.46167492422273954 Energy: 0.4655023441551267 Energy: 0.4654987931495533 Energy: 0.4200367791618286 Energy: 0.41663529607392036 Energy: 0.4169830802835978 Energy: 0.42968723207390963 Energy: 0.5659935252950626 Energy: 0.5659470267521123 Energy: 0.530071340026867 Energy: 0.38783873953327436 Energy: 0.3878295235112243 Energy: 0.38804134005870694 Energy: 0.4832507174503557 Energy: 0.4831718450114375 Energy: 0.43943434111840474 Energy: 0.42977564944413804 Energy: 0.4297399525801119 Energy: 0.38785567151681805 Energy: 0.4831664082861311 Energy: 0.4832301847170703 Energy: 0.4176261889303152 Energy: 0.4274862773033827 Energy: 0.42748824792957363 Energy: 0.38782985651405955 Energy: 0.49123389899797054 Energy: 0.4912345833720412 Energy: 0.5342813128039278 Energy: 0.387837172797038 Energy: 0.38785657764861525 minimum gb energy = 0.3878295235112243 eV minimum distance = 2.44918216606263 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.4871338021607768 Energy: 0.5210010233012862 Energy: 0.5210053168649057 Energy: 0.436971710454964 Energy: 0.44947272659172227 Energy: 0.44947272608010536 Energy: 0.43169312257542525 Energy: 0.5105941388026496 Energy: 0.5105848513064294 Energy: 0.45136063307756225 Energy: 0.5030512316512644 Energy: 0.5030603587162051 Energy: 0.46146441375431907 Energy: 0.4737621498628388 Energy: 0.47372903508716085 Energy: 0.42371030516910485 Energy: 0.52602218881028 Energy: 0.5192378787385342 Energy: 0.4519866939373205 Energy: 0.4721618744250539 Energy: 0.4721618647842936 Energy: 0.42370969191647057 Energy: 0.5340878843609704 Energy: 0.53586296698114 Energy: 0.4083116206730472 Energy: 0.5441411060090638 Energy: 0.5441412475891454 Energy: 0.4688750371751364 Energy: 0.45409981952539674 Energy: 0.45409981948911093 minimum gb energy = 0.4083116206730472 eV minimum distance = 2.40517067348827 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.4838818974815498 Energy: 0.6272111762792186 Energy: 0.6271586523826179 Energy: 0.4166796394653616 Energy: 0.5431939854295695 Energy: 0.5431948487986384 Energy: 0.4166794384411832 Energy: 0.6668505397422024 Energy: 0.6668505526859932 Energy: 0.41667927920139075 Energy: 0.45595855980432876 Energy: 0.4559585621167348 Energy: 0.4838819087012098 Energy: 0.49641290585051995 Energy: 0.4964160464632568 Energy: 0.6380929339896889 Energy: 0.45605104047608874 Energy: 0.4560335788914837 Energy: 0.5442188422768267 Energy: 0.4563454787718883 Energy: 0.4563397367691458 Energy: 0.49418344149869337 Energy: 0.5387109938251369 Energy: 0.5386645516387577 Energy: 0.41667935412793294 Energy: 0.543512673265755 Energy: 0.5435179079823157 Energy: 0.416677990716488 Energy: 0.5778749967993445 Energy: 0.5778720223985127 minimum gb energy = 0.416677990716488 eV minimum distance = 2.32126034220878 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.46111498285375724 Energy: 0.4770105785777516 Energy: 0.4770142988587894 Energy: 0.39822329151235497 Energy: 0.5423921896484418 Energy: 0.5423944450735211 Energy: 0.3823571530380232 Energy: 0.5028006872565212 Energy: 0.5028530897291884 Energy: 0.49306836863138803 Energy: 0.4808746615431403 Energy: 0.4810727123585913 Energy: 0.574724282689161 Energy: 0.3962988560224443 Energy: 0.3963169449326224 Energy: 0.35924876234619413 Energy: 0.44091062594953734 Energy: 0.4409106259777699 Energy: 0.4593219368899871 Energy: 0.4686533393943355 Energy: 0.4686027059205713 Energy: 0.3830763371173322 Energy: 0.4965558324727939 Energy: 0.49640983358658003 Energy: 0.3982357742182925 Energy: 0.5127886754809894 Energy: 0.5129545463905388 Energy: 0.3995472635216605 Energy: 0.45763122866516187 Energy: 0.45761787242035323 minimum gb energy = 0.35924876234619413 eV minimum distance = 2.29514345523673 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.38898401996425386 Energy: 0.45219636245743494 Energy: 0.4521809373514029 Energy: 0.317824419053242 Energy: 0.438485776787938 Energy: 0.43845883073401165 Energy: 0.3635405492297059 Energy: 0.35217329172910306 Energy: 0.35221761450228484 Energy: 0.33921187871790104 Energy: 0.40883839120784055 Energy: 0.40883839345572504 Energy: 0.3395828088517572 Energy: 0.41272687454700174 Energy: 0.41272673455479664 Energy: 0.3683284571754001 Energy: 0.4198165613760812 Energy: 0.4198165613175557 Energy: 0.33961859795031807 Energy: 0.3626347719178267 Energy: 0.3626347719250198 Energy: 0.3651421446908802 Energy: 0.339643098536048 Energy: 0.3396490456445882 Energy: 0.31782626389456975 Energy: 0.36364741001222806 Energy: 0.3636338140120057 Energy: 0.31781958011530315 Energy: 0.4961527638849893 Energy: 0.4961526296051181 minimum gb energy = 0.31781958011530315 eV minimum distance = 2.31079976397559 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.5103826330343956 Energy: 0.4894044086969649 Energy: 0.48937266411566227 Energy: 0.4474585329851288 Energy: 0.485809611367027 Energy: 0.4858171226532877 Energy: 0.44996013662764345 Energy: 0.558182258956722 Energy: 0.5582300146905379 Energy: 0.5017221803890899 Energy: 0.427491531369314 Energy: 0.42749384421795655 Energy: 0.42081249472593407 Energy: 0.514292758842456 Energy: 0.51429334988499 Energy: 0.4894307089773884 Energy: 0.4636120747384765 Energy: 0.4636068620073311 Energy: 0.4146130775931801 Energy: 0.5035602942376188 Energy: 0.5035702188650729 Energy: 0.4491612123745356 Energy: 0.47419708558205725 Energy: 0.47431482809300596 Energy: 0.4146117086590144 Energy: 0.4817710479818873 Energy: 0.48177107795437313 Energy: 0.46825667025151746 Energy: 0.4808677246766832 Energy: 0.48087119441584536 minimum gb energy = 0.4146117086590144 eV minimum distance = 2.30113768716842 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.44817407374276913 Energy: 0.4749868269600734 Energy: 0.4749546088706228 Energy: 0.3499544769904051 Energy: 0.5071119978147371 Energy: 0.5071297887917816 Energy: 0.33671940392584937 Energy: 0.45620603168014684 Energy: 0.45617491135219107 Energy: 0.39172467522725696 Energy: 0.36711822540005074 Energy: 0.3670922024736721 Energy: 0.3740750059609993 Energy: 0.4346891172672415 Energy: 0.43474110731697685 Energy: 0.3459718731869327 Energy: 0.4407472939294516 Energy: 0.4407472938822982 Energy: 0.3840057111195805 Energy: 0.4276241431662484 Energy: 0.4277892435200573 Energy: 0.36234923294312243 Energy: 0.44967204052058984 Energy: 0.4496935645949924 Energy: 0.3720150771036149 Energy: 0.42851395276955756 Energy: 0.42850281537531715 Energy: 0.40668006675411794 Energy: 0.4203869995287486 Energy: 0.42018676145182304 minimum gb energy = 0.33671940392584937 eV minimum distance = 2.3187664251066 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.4156062730261158 Energy: 0.41997464371681476 Energy: 0.4199693840992433 Energy: 0.5553359604389387 Energy: 0.4156202490641546 Energy: 0.4156100997167038 Energy: 0.5674672628604801 Energy: 0.4616400484929427 Energy: 0.46164006258212015 Energy: 0.4156062766837993 Energy: 0.4616402427449463 Energy: 0.4616401582918103 Energy: 0.4156062624347061 Energy: 0.4616403864855066 Energy: 0.4616400294399605 Energy: 0.4751877395187509 Energy: 0.41991581095909397 Energy: 0.419789948476661 Energy: 0.4156062914502203 Energy: 0.41561008977837005 Energy: 0.4156487426902227 Energy: 0.41560626917493854 Energy: 0.5188888979041176 Energy: 0.5188888979014289 Energy: 0.5103764938408337 Energy: 0.4616410368628933 Energy: 0.4616417691590843 Energy: 0.5103743819025747 Energy: 0.46164052402066924 Energy: 0.46164039312899213 minimum gb energy = 0.4156062624347061 eV minimum distance = 2.55737246239234 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.4541250847021209 Energy: 0.46811481801456356 Energy: 0.4681226746516174 Energy: 0.320631263010013 Energy: 0.4511111663545859 Energy: 0.45114746218336815 Energy: 0.36284187283929903 Energy: 0.40785701954298054 Energy: 0.40785373734085856 Energy: 0.320659608414748 Energy: 0.4749980839193391 Energy: 0.4750002957046056 Energy: 0.3369240811024347 Energy: 0.4278369823237084 Energy: 0.427771955938467 Energy: 0.32065255684651517 Energy: 0.4981433845174726 Energy: 0.49814338891247556 Energy: 0.40083947439588863 Energy: 0.395246504440026 Energy: 0.39518872581845926 Energy: 0.36459296708970484 Energy: 0.3725414546988213 Energy: 0.3725022772829294 Energy: 0.4474997238318514 Energy: 0.4362795853359272 Energy: 0.4362803300188909 Energy: 0.3693151374178838 Energy: 0.37921618920060485 Energy: 0.3791588432116928 minimum gb energy = 0.320631263010013 eV minimum distance = 2.42644835362819 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.4544606278768252 Energy: 0.5582521150854427 Energy: 0.55825371143676 Energy: 0.35493173042289317 Energy: 0.4220185094328438 Energy: 0.4220185219439533 Energy: 0.39546013441458794 Energy: 0.48815622384140733 Energy: 0.48815321763573233 Energy: 0.36268820284140735 Energy: 0.5036327021108002 Energy: 0.5005157700670158 Energy: 0.5746250097190599 Energy: 0.385004591752566 Energy: 0.38506989308630635 Energy: 0.3954619721976985 Energy: 0.513853673328804 Energy: 0.51384700017114 Energy: 0.36286010727664614 Energy: 0.48810374335780565 Energy: 0.48812318325809323 Energy: 0.44924946608333066 Energy: 0.3907319079653384 Energy: 0.3907053382833703 Energy: 0.38501410879574205 Energy: 0.5132624568642984 Energy: 0.5132863239131716 Energy: 0.455548282019197 Energy: 0.5010883930576034 Energy: 0.5010900584806219 minimum gb energy = 0.35493173042289317 eV minimum distance = 2.39948273908751 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.3463068887412124 Energy: 0.31274397097171686 Energy: 0.31275030954843086 Energy: 0.25010915294163094 Energy: 0.3791273782254086 Energy: 0.3791311247813095 Energy: 0.2502538573574982 Energy: 0.3122508336598137 Energy: 0.31220625282653924 Energy: 0.29986620392182917 Energy: 0.46241395016837367 Energy: 0.4624875604213404 Energy: 0.3659586065097925 Energy: 0.39632976356949073 Energy: 0.396312739001847 Energy: 0.25028611271358875 Energy: 0.3121870483178544 Energy: 0.3121886713977065 Energy: 0.2998588209227953 Energy: 0.3958812731451381 Energy: 0.3959172472191478 Energy: 0.46522567936859976 Energy: 0.3964002368997191 Energy: 0.3964002278871919 Energy: 0.3904971563193199 Energy: 0.29146443772445896 Energy: 0.2914644377351392 Energy: 0.2997958262292136 Energy: 0.5584271336637683 Energy: 0.5584401103697064 minimum gb energy = 0.25010915294163094 eV minimum distance = 2.27429527603832 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.46579784946727915 Energy: 0.3593877000308566 Energy: 0.3593903531562294 Energy: 0.40767861064856453 Energy: 0.3591649320213582 Energy: 0.3591658965364271 Energy: 0.3291021497402707 Energy: 0.39732255109912995 Energy: 0.3973225507286715 Energy: 0.33003495343860156 Energy: 0.5493166427323772 Energy: 0.5493213108212288 Energy: 0.4097389843206223 Energy: 0.3967832529015499 Energy: 0.3967633638667193 Energy: 0.4442475697334856 Energy: 0.4572993759108438 Energy: 0.45729596432970304 Energy: 0.3289680753947176 Energy: 0.46497716941876044 Energy: 0.46497716931084637 Energy: 0.4394051048778271 Energy: 0.3336664352480229 Energy: 0.3336698749813181 Energy: 0.32900977919712865 Energy: 0.4322767678247975 Energy: 0.432280082434134 Energy: 0.32905498293082924 Energy: 0.3972318577626505 Energy: 0.39723056591559935 minimum gb energy = 0.3289680753947176 eV minimum distance = 2.29360182907756 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.3723188718934468 Energy: 0.43984695444626476 Energy: 0.43984363527649917 Energy: 0.22399435413675012 Energy: 0.3567037837282012 Energy: 0.35668432788240817 Energy: 0.34255524421517314 Energy: 0.38412092036043805 Energy: 0.3840977975027529 Energy: 0.2581229573346142 Energy: 0.36247426181398495 Energy: 0.36250026975535343 Energy: 0.24662014424167328 Energy: 0.2915482915853073 Energy: 0.29154648377304515 Energy: 0.25809201880256993 Energy: 0.33981697749618645 Energy: 0.33983296159468424 Energy: 0.2459256604493499 Energy: 0.4403718352880174 Energy: 0.44021918621316436 Energy: 0.3473240607909081 Energy: 0.3078437042806779 Energy: 0.30779155464791036 Energy: 0.25803086282816756 Energy: 0.4030455179831239 Energy: 0.40371454383873046 Energy: 0.34260760630121495 Energy: 0.38413216933132527 Energy: 0.3841674365752121 minimum gb energy = 0.22399435413675012 eV minimum distance = 2.25647124445434 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.47401382829055166 Energy: 0.41665319636554676 Energy: 0.41665319637524095 Energy: 0.37596407898453643 Energy: 0.5006518206667108 Energy: 0.5006518206647719 Energy: 0.34963083168973086 Energy: 0.44580962113268746 Energy: 0.4456571526712672 Energy: 0.34966781569669847 Energy: 0.5427276724736356 Energy: 0.542850374317019 Energy: 0.332984804459842 Energy: 0.5990643764767983 Energy: 0.5990730523314507 Energy: 0.3622712826038898 Energy: 0.51762943843792 Energy: 0.5176385512350976 Energy: 0.40727961692979714 Energy: 0.512709772321509 Energy: 0.5127010994251735 Energy: 0.47401130907694616 Energy: 0.39785617922781547 Energy: 0.39785631493090506 Energy: 0.4072796560324037 Energy: 0.45542461171667525 Energy: 0.4554246520256587 Energy: 0.3496286769130534 Energy: 0.4882889247358681 Energy: 0.4883005608009193 minimum gb energy = 0.332984804459842 eV minimum distance = 2.5537332956981 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.3762237809903716 Energy: 0.3536475080828412 Energy: 0.3542662769831906 Energy: 0.24109563352184082 Energy: 0.4731251094327926 Energy: 0.47312712349095165 Energy: 0.26085320273348556 Energy: 0.29927423854409424 Energy: 0.299274704776802 Energy: 0.22048603207886577 Energy: 0.386336667524855 Energy: 0.38633748320678346 Energy: 0.24966076801481082 Energy: 0.4946075315717115 Energy: 0.4933405459197715 Energy: 0.2881460531105655 Energy: 0.4568418441551393 Energy: 0.4559588588228418 Energy: 0.22050540403238192 Energy: 0.3571424491313887 Energy: 0.3571424501759361 Energy: 0.3857153992474824 Energy: 0.294562280619696 Energy: 0.29456227825854975 Energy: 0.23378110078637293 Energy: 0.48096616961434574 Energy: 0.48097230762005183 Energy: 0.24891846823244723 Energy: 0.4369847106981779 Energy: 0.43779140176199577 minimum gb energy = 0.22048603207886577 eV minimum distance = 2.16547671933247 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.46045716812598647 Energy: 0.4525556425522632 Energy: 0.4525655029809951 Energy: 0.30058259981366797 Energy: 0.464194748533098 Energy: 0.4642001308623426 Energy: 0.44219549844685874 Energy: 0.43143443018564115 Energy: 0.431449525622513 Energy: 0.33273163448498716 Energy: 0.4984927220572077 Energy: 0.49848206753590624 Energy: 0.3327339834864315 Energy: 0.62202710045835 Energy: 0.6220445742355389 Energy: 0.30085086467813865 Energy: 0.5177826714846918 Energy: 0.5177807903995569 Energy: 0.2794609574975674 Energy: 0.30518669210771016 Energy: 0.305161241208865 Energy: 0.46046173586020983 Energy: 0.4984920733514527 Energy: 0.4984789297909098 Energy: 0.30086657477706524 Energy: 0.4791238548993188 Energy: 0.4790900877349873 Energy: 0.30058027542118676 Energy: 0.5783742663819282 Energy: 0.5784188131635366 minimum gb energy = 0.2794609574975674 eV minimum distance = 2.46453606517906 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.3844739598196722 Energy: 0.30063652463036605 Energy: 0.3006329699106267 Energy: 0.2993079794871037 Energy: 0.3022330016057131 Energy: 0.3022220584028025 Energy: 0.22190144131139 Energy: 0.3995385586359134 Energy: 0.4157361817433631 Energy: 0.19274256317922994 Energy: 0.20435263473437149 Energy: 0.20435263495449008 Energy: 0.20433822024260528 Energy: 0.46337136523770706 Energy: 0.463371365279632 Energy: 0.30835105207321756 Energy: 0.24591224464133654 Energy: 0.24590159631100586 Energy: 0.2043964074936448 Energy: 0.3841941171936151 Energy: 0.38419579538191956 Energy: 0.34025737242520165 Energy: 0.24591519567954373 Energy: 0.24589715217190247 Energy: 0.204350433908466 Energy: 0.34962691231328086 Energy: 0.34966203982110544 Energy: 0.3483019982961017 Energy: 0.2459733473212666 Energy: 0.2459390154115034 minimum gb energy = 0.19274256317922994 eV minimum distance = 2.45685696382402 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.32450467914861564 Energy: 0.49174957614996256 Energy: 0.49174834537866297 Energy: 0.2692826056139639 Energy: 0.4755007833758155 Energy: 0.47550420529797904 Energy: 0.35794065351346954 Energy: 0.27090354703194613 Energy: 0.2708958568948 Energy: 0.2692777215850301 Energy: 0.5695698052462148 Energy: 0.5695671150172303 Energy: 0.27093953778454105 Energy: 0.5936247280539708 Energy: 0.593618011764096 Energy: 0.33748168416450947 Energy: 0.4812698715052976 Energy: 0.48126987150378364 Energy: 0.37919416612419987 Energy: 0.2702322823908096 Energy: 0.2710956214469851 Energy: 0.32608713319074567 Energy: 0.5279633570298836 Energy: 0.5261797810118386 Energy: 0.2692694213156911 Energy: 0.47938274508149953 Energy: 0.4795789183005615 Energy: 0.3374849539213153 Energy: 0.36151479283132504 Energy: 0.36152411588226213 minimum gb energy = 0.2692694213156911 eV minimum distance = 2.47449833471752 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.3939913121589345 Energy: 0.49340711714507207 Energy: 0.4933003564393522 Energy: 0.20550645223836742 Energy: 0.5855760276738686 Energy: 0.5855759831994012 Energy: 0.1873007724090111 Energy: 0.3694275080788057 Energy: 0.36940987864026564 Energy: 0.3492991542803571 Energy: 0.292731953078807 Energy: 0.292634961110423 Energy: 0.34764194213825034 Energy: 0.45350961564925824 Energy: 0.45350483776912487 Energy: 0.23037912089786403 Energy: 0.5152767918860296 Energy: 0.5153185238444888 Energy: 0.22061216060288522 Energy: 0.5618374460420983 Energy: 0.5618356638912844 Energy: 0.45934596778110065 Energy: 0.43766511670286967 Energy: 0.4376638764668243 Energy: 0.24310858094745766 Energy: 0.224602219742106 Energy: 0.22460221973358 Energy: 0.18735815759543806 Energy: 0.43723368928821693 Energy: 0.43723368929469675 minimum gb energy = 0.1873007724090111 eV minimum distance = 2.17543939594281 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.3576687682257448 Energy: 0.5119181938857109 Energy: 0.5119182785026882 Energy: 0.1952702510677769 Energy: 0.1899980474133817 Energy: 0.18999877687780878 Energy: 0.1723222091692367 Energy: 0.5449878652850316 Energy: 0.5470278967638316 Energy: 0.1573667217409208 Energy: 0.20916575956629102 Energy: 0.20918993133240155 Energy: 0.1724520810591024 Energy: 0.5933806218285397 Energy: 0.5933819818566285 Energy: 0.17232595267573877 Energy: 0.28517183520935285 Energy: 0.28520653473516827 Energy: 0.17233445279805482 Energy: 0.45043814100743473 Energy: 0.45043814103287966 Energy: 0.35766729140652676 Energy: 0.4503833788090265 Energy: 0.45038258516628504 Energy: 0.3698702554564215 Energy: 0.2831555341274125 Energy: 0.2831189562458303 Energy: 0.17330881730159742 Energy: 0.5023784704387032 Energy: 0.49882534243723414 minimum gb energy = 0.1573667217409208 eV minimum distance = 2.25654184814485 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.3341688907093117 Energy: 0.5493929630635566 Energy: 0.5493891588662628 Energy: 0.2753519734791136 Energy: 0.2490740471407275 Energy: 0.2488496711203781 Energy: 0.13199536812402743 Energy: 0.45956338214941994 Energy: 0.45956338224557364 Energy: 0.16398462976426595 Energy: 0.5421540612773396 Energy: 0.5259084958888778 Energy: 0.37214449147286865 Energy: 0.1890912486775953 Energy: 0.1890995449761796 Energy: 0.14571364818917049 Energy: 0.539061942853019 Energy: 0.5565461189978664 Energy: 0.11777300550694467 Energy: 0.3357427667294775 Energy: 0.335739907351138 Energy: 0.4392063271400204 Energy: 0.3272739971048288 Energy: 0.3272686314374651 Energy: 0.14570967932178502 Energy: 0.5378507213276189 Energy: 0.5378439172297944 Energy: 0.2664481261022381 Energy: 0.31693854577464475 Energy: 0.31693726267031647 minimum gb energy = 0.11777300550694467 eV minimum distance = 2.47803753758687 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.275871860558313 Energy: 0.5490298578813014 Energy: 0.549026911295825 Energy: 0.11875401751188415 Energy: 0.44866985898493694 Energy: 0.44729910531810774 Energy: 0.21148221780355284 Energy: 0.2649002022551 Energy: 0.26490158490893795 Energy: 0.17888791946408855 Energy: 0.24759565922710172 Energy: 0.24758954828389163 Energy: 0.09189700805459128 Energy: 0.24758366433659948 Energy: 0.24759429214090622 Energy: 0.09189698030145059 Energy: 0.4911812955180304 Energy: 0.4913130200328965 Energy: 0.11877866782207266 Energy: 0.46213543789741285 Energy: 0.46206039226361356 Energy: 0.27587148764340186 Energy: 0.506231874559768 Energy: 0.5062405284665465 Energy: 0.1357410157553523 Energy: 0.2612575453698268 Energy: 0.2612595285482735 Energy: 0.1933523844373637 Energy: 0.091896368558804 Energy: 0.09189660398651991 minimum gb energy = 0.091896368558804 eV minimum distance = 2.5905603202439 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.33691278376555106 Energy: 0.4862909025841772 Energy: 0.48629156425445924 Energy: 0.07037649834073902 Energy: 0.5534400014520485 Energy: 0.5305841278422367 Energy: 0.0671225196302009 Energy: 0.5443589417226247 Energy: 0.5443590367839349 Energy: 0.17056129036308224 Energy: 0.45634429596476045 Energy: 0.45637394265978715 Energy: 0.1705587550286504 Energy: 0.3806501685506517 Energy: 0.3806384404976017 Energy: 0.06165365446663864 Energy: 0.3039031748966227 Energy: 0.3038885314982808 Energy: 0.07637964504877412 Energy: 0.24698111542889098 Energy: 0.2469679171328329 Energy: 0.413907301483403 Energy: 0.257798959578678 Energy: 0.25779917535465124 Energy: 0.18312624053225462 Energy: 0.22456033894812372 Energy: 0.2246086457906883 Energy: 0.03702423853882397 Energy: 0.32072149217728607 Energy: 0.32075455728884883 minimum gb energy = 0.03702423853882397 eV minimum distance = 2.17537513682411 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.37443226131937196 Energy: 0.5821881672168758 Energy: 0.5821881671671951 Energy: 0.23605541728845694 Energy: 0.5410053596175036 Energy: 0.5411967304040641 Energy: 0.17221226291972566 Energy: 0.4402103813623975 Energy: 0.4402111085521024 Energy: 0.17221351847763122 Energy: 0.33799132637082435 Energy: 0.3379913754084898 Energy: 0.26237876471788846 Energy: 0.33799139628523944 Energy: 0.337991440919206 Energy: 0.2943147914715049 Energy: 0.28641254288672546 Energy: 0.286414014372724 Energy: 0.30807676585897026 Energy: 0.4960086359961058 Energy: 0.4959714738540463 Energy: 0.374432640995301 Energy: 0.5410145806159914 Energy: 0.5410831525891759 Energy: 0.23534310012673212 Energy: 0.4375561606849528 Energy: 0.4375568225102478 Energy: 0.2004629018683923 Energy: 0.6054530539674462 Energy: 0.6054359238224345 minimum gb energy = 0.17221226291972566 eV minimum distance = 2.27129779056693 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.3708451561420461 Energy: 0.3776385089576903 Energy: 0.377638506850978 Energy: 0.4186959863190934 Energy: 0.22180474666209804 Energy: 0.22179985443005765 Energy: 0.14880081484162075 Energy: 0.43533477043742713 Energy: 0.4353323419854246 Energy: 0.14830634554803523 Energy: 0.4901329333311508 Energy: 0.490139977925578 Energy: 0.1261128045114914 Energy: 0.29693248826469787 Energy: 0.2969324847690753 Energy: 0.16226468341991154 Energy: 0.4784275242058363 Energy: 0.4716714230626401 Energy: 0.37267462752243935 Energy: 0.2824167573862744 Energy: 0.2824099013950594 Energy: 0.4188134510057268 Energy: 0.5873250245966583 Energy: 0.5872245789501893 Energy: 0.2688765218963123 Energy: 0.5872231292221245 Energy: 0.587226768728405 Energy: 0.2564976150810842 Energy: 0.281459032413374 Energy: 0.28146264792182313 minimum gb energy = 0.1261128045114914 eV minimum distance = 2.49741492106825 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.3987508393283377 Energy: 0.4355771980882288 Energy: 0.43557751901067093 Energy: 0.3256095060418461 Energy: 0.3518806689250243 Energy: 0.35188460227351187 Energy: 0.2632747614888728 Energy: 0.2119119381142307 Energy: 0.2119099235253574 Energy: 0.12449541410891432 Energy: 0.5506548759363686 Energy: 0.565171344361934 Energy: 0.10311452190965315 Energy: 0.4320969992844378 Energy: 0.4321761778184993 Energy: 0.23465865921516452 Energy: 0.24387791777028123 Energy: 0.24392317144320197 Energy: 0.17690084656125057 Energy: 0.36509817784719695 Energy: 0.3651030340600714 Energy: 0.39866401905829335 Energy: 0.4137634728795492 Energy: 0.41373205318247674 Energy: 0.4315625115156729 Energy: 0.16749389524853012 Energy: 0.167493869330888 Energy: 0.13093314003259054 Energy: 0.5300963890903149 Energy: 0.5299876171041638 minimum gb energy = 0.10311452190965315 eV minimum distance = 2.24865539926679 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.34853925854038503 Energy: 0.3849484344563048 Energy: 0.3849467802387871 Energy: 0.20743546158673193 Energy: 0.5573422740008547 Energy: 0.557341597367306 Energy: 0.08559243354250479 Energy: 0.4495277399843237 Energy: 0.44953282592438404 Energy: 0.08031622779168122 Energy: 0.5566682765803189 Energy: 0.5464718437243838 Energy: 0.080325683812489 Energy: 0.44907585796216043 Energy: 0.4490967323648774 Energy: 0.08548963064524367 Energy: 0.504846530976865 Energy: 0.5049297806406357 Energy: 0.20743036495889197 Energy: 0.43838411961796875 Energy: 0.4383242917799447 Energy: 0.38631209320137055 Energy: 0.346722921219201 Energy: 0.34675284200670337 Energy: 0.2074301858632209 Energy: 0.3134743228386884 Energy: 0.3088277719126443 Energy: 0.08789725832466225 Energy: 0.29599237134915873 Energy: 0.2959910447855341 minimum gb energy = 0.08031622779168122 eV minimum distance = 2.19774256529973 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.2741923644293844 Energy: 0.25793306401942373 Energy: 0.2579330664001097 Energy: 0.14679498134355343 Energy: 0.33409474913801795 Energy: 0.3341447107981463 Energy: 0.2156151929275785 Energy: 0.057492352315382404 Energy: 0.05748448389428509 Energy: 0.025693512626599215 Energy: 0.30145146505504106 Energy: 0.30213425690232726 Energy: 0.0577359873907803 Energy: 0.3890989061549697 Energy: 0.40556743548471286 Energy: 0.04064994956318973 Energy: 0.2949726670961004 Energy: 0.2949745406660539 Energy: 0.34620898451370485 Energy: 0.04888360197009932 Energy: 0.04888261304740792 Energy: 0.3433309547162341 Energy: 0.37100386146021636 Energy: 0.37084588851368055 Energy: 0.14679637470368684 Energy: 0.2498446299886771 Energy: 0.24986512677563544 Energy: 0.040669422095477165 Energy: 0.3486852773661735 Energy: 0.3488805957470678 minimum gb energy = 0.025693512626599215 eV minimum distance = 2.33212428438658 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.3027426745358061 Energy: 0.22691672369088753 Energy: 0.22691673888146416 Energy: 0.3297679461826173 Energy: 0.09305251572702586 Energy: 0.09305100442323175 Energy: 0.018622014994759354 Energy: 0.2262882088999632 Energy: 0.22631240099914224 Energy: 0.1414938160428796 Energy: 0.196839845879682 Energy: 0.19683985625593345 Energy: 0.018810122490625702 Energy: 0.2587568171551868 Energy: 0.2587568171390472 Energy: 0.004267554119531713 Energy: 0.2391938701032411 Energy: 0.2393399337260865 Energy: 0.10055171999168619 Energy: 0.23492678113224807 Energy: 0.23495392948977617 Energy: 0.2978959731596585 Energy: 0.28600557921458725 Energy: 0.28592881719908536 Energy: 0.1876775858891386 Energy: 0.3668919354833925 Energy: 0.3669736921744803 Energy: 0.011436356636045622 Energy: 0.22776629689722364 Energy: 0.22776174250108605 minimum gb energy = 0.004267554119531713 eV minimum distance = 2.49839470722796 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.25955449992001284 Energy: 0.19062066669147995 Energy: 0.19062104735320595 Energy: 0.07249311330917181 Energy: 0.2841586430798813 Energy: 0.28408002566972296 Energy: 0.10493750406192727 Energy: 0.19245351285384202 Energy: 0.1924546454902211 Energy: 0.06892450836646012 Energy: 0.14340089909767495 Energy: 0.14340111788370583 Energy: -0.02971308728471366 Energy: 0.2580701314083053 Energy: 0.2581766792224538 Energy: -0.0170901430815356 Energy: 0.5150000378712691 Energy: 0.514939833502609 Energy: 0.0724905478123598 Energy: 0.17275922209735747 Energy: 0.17275891308690786 Energy: 0.3120278024624502 Energy: 0.22964214408011982 Energy: 0.22950021667693246 Energy: 0.2946777693381376 Energy: 0.05205085790776172 Energy: 0.05204469712363486 Energy: 0.034053070757551866 Energy: 0.19950427624562647 Energy: 0.19952333858584037 minimum gb energy = -0.02971308728471366 eV minimum distance = 2.15586204671466 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.2190995034725211 Energy: 0.16223733086724879 Energy: 0.16223735588738983 Energy: 0.04508048936145029 Energy: 0.17108409558827184 Energy: 0.1710724979850277 Energy: -0.05069453177070383 Energy: 0.33758066962100397 Energy: 0.33756129728406337 Energy: -0.06158432393435321 Energy: 0.20606964132869504 Energy: 0.2060815575516267 Energy: 0.09949714602362472 Energy: 0.11150989402774408 Energy: 0.11151077426908783 Energy: 0.14917196394869883 Energy: 0.01965991854629037 Energy: 0.01966028539757298 Energy: 0.23335155566772695 Energy: 0.06665933891008909 Energy: 0.06665933912025071 Energy: 0.26817503185390784 Energy: 0.20475953407804587 Energy: 0.20464904607750212 Energy: 0.10725402186502268 Energy: 0.16064462693725212 Energy: 0.1606403372160909 Energy: -0.03853579562977642 Energy: 0.19937286969345233 Energy: 0.2040942554153914 minimum gb energy = -0.06158432393435321 eV minimum distance = 2.27263189396298 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: -0.15597486172400307 Energy: -0.15597486172022515 Energy: -0.15597486172332148 Energy: -0.15597486172057567 Energy: 1.0433068048824445 Energy: 1.0433068048800491 Energy: 0.1186054987101005 Energy: 1.0433068048790366 Energy: 1.0433068048810814 Energy: -0.15597486171989405 Energy: 0.4099987877823576 Energy: 0.4099987878446937 Energy: -0.15597486172160777 Energy: 0.4099987877823576 Energy: 0.4099987877806439 Energy: 0.11860549869537819 Energy: 1.0433068048817629 Energy: 1.043306804881432 Energy: -0.15597486172193883 Energy: 1.0433068049400096 Energy: 1.0433068049372638 Energy: -0.15597486172160777 Energy: -0.15597486172160777 Energy: -0.15597486172262043 Energy: -0.15597486172160777 Energy: 1.0433068048797183 Energy: 1.0433068048845089 Energy: 0.11860549870153196 Energy: 1.043306804886573 Energy: 1.0433068048810814 minimum gb energy = -0.15597486172400307 eV minimum distance = 2.72642531332667 Angstroms sigma value = 1