Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.613315671682358
cohesive_energy=3.540278438572939
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.91030724425088e-19, 2.5288755991056e-19, 2.99259358228422e-19, 3.36904100420886e-19, 3.6864161736379197e-19, 3.9597955726973396e-19, 4.19835967349994e-19, 4.4082287907876e-19, 4.593760845004799e-19, 4.758192232952219e-19, 4.90397428487988e-19, 5.033077678047599e-19, 5.1471045890893795e-19, 5.24735278107876e-19, 5.33491173412686e-19, 5.410710710681399e-19, 5.475550799059379e-19, 5.53012093521342e-19, 5.57504596803078e-19, 5.610854615800679e-19, 5.638011509746979e-19, 5.65694923756086e-19, 5.66806834340082e-19, 5.67170528436e-19, 5.6677799516067e-19, 5.655042647366399e-19, 5.63182710793974e-19, 5.59617867783324e-19, 5.54571011386224e-19, 5.47753749808554e-19, 5.388184107207359e-19, 5.273404173147599e-19, 5.12797460007942e-19, 4.945454637934139e-19, 4.717801360009079e-19, 4.4349851405754e-19, 4.0842846971591395e-19, 3.6495180457568995e-19, 3.1097928030613195e-19, 2.43793605335976e-19, 1.5981119118795419e-19, 5.42423308147236e-20, -7.94106031229028e-20, -2.50130213923446e-19, -4.70544857816094e-19, -7.588629518109299e-19, -1.1419770307096438e-18, -1.6608483423370797e-18, -2.38014554217138e-18, -3.40648387214544e-18, -4.925090972915999e-18, -7.279890080737499e-18, -1.1166866725419539e-17, -1.81677217235796e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.013667490155534092
Energy: 0.707657846950051
Energy: 0.013988553715529586
Energy: 0.013874883735661005
Energy: 0.7128270631429451
Energy: 0.014012352317312973
Energy: 0.7076578469512717
Energy: 0.10367152277272024
Energy: 0.10372829735470852
Energy: 1.1036382404792255
Energy: 0.4087850115629452
Energy: 0.1036869350773842
Energy: 0.013988553715529586
Energy: 0.1037282973540807
Energy: 0.10467082212544555
Energy: 0.014011051517733958
Energy: 0.4099110586558163
Energy: 0.1046559408679095
Energy: 0.013874883735974907
Energy: 1.1036382406445813
Energy: 0.014011051517733958
Energy: 0.013868257227263862
Energy: 1.094937516764884
Energy: 0.013972313997168851
Energy: 0.712827063143259
Energy: 0.4087850115614106
Energy: 0.4099110586567581
Energy: 1.0949375169955662
Energy: 0.7032573401653234
Energy: 0.4102792968052159
Energy: 0.014012352317626875
Energy: 0.1036869350773842
Energy: 0.1046559408675956
Energy: 0.01397231399594813
Energy: 0.4102792968070295
Energy: 0.014048678333076261

minimum gb energy = 0.013667490155534092 eV
minimum distance =  2.5508019413943 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.2613933886281854
Energy: 1.3370037631419764
Energy: 1.1833523325177837
Energy: 1.2635060868142247
Energy: 1.4972098517096593
Energy: 1.1786330542700367
Energy: 1.236423265430397
Energy: 0.8465269146347466
Energy: 0.8455587575416055
Energy: 1.1322269057529752
Energy: 0.8465703156686342
Energy: 0.8320872207941213
Energy: 1.2826001251477193
Energy: 0.8580977106895288
Energy: 0.8319744642821251
Energy: 1.2840790473729704
Energy: 0.8578975368402784
Energy: 0.8123582430467576
Energy: 1.3770805773678325
Energy: 0.9427686576492382
Energy: 1.13279703887965
Energy: 1.3786191071356537
Energy: 1.0794026669088994
Energy: 1.1217470126309093
Energy: 1.2245048151817322
Energy: 0.9280370905043033
Energy: 0.9248874890998227
Energy: 1.2239911931531644
Energy: 0.9743940712354692
Energy: 0.9269317398696713
Energy: 1.1568794706036802
Energy: 0.8693173796039255
Energy: 0.8579305524055083
Energy: 1.1585636268108188
Energy: 0.9145710990492374
Energy: 0.8560159307451619
Energy: 1.1518313084685292
Energy: 0.9770153207090594
Energy: 0.8754244041806531
Energy: 1.153459777087008
Energy: 1.059286343464546
Energy: 0.8574710120576889
Energy: 1.0734897365669376
Energy: 0.9720817182897135
Energy: 0.9796343036429757
Energy: 1.1245934059731928
Energy: 1.0771151498200024
Energy: 0.9556062890037323
Energy: 0.9142765889000384
Energy: 0.9033983392103555
Energy: 0.8886065710547232
Energy: 0.91458177039655
Energy: 1.0948628436975127
Energy: 0.8931449203053976
Energy: 0.9727487743586894
Energy: 0.8507810414392796
Energy: 0.9035848389521409
Energy: 0.9741581584873427
Energy: 0.9067740432361685
Energy: 0.8808923820418633
Energy: 1.1033651434877776
Energy: 1.0600670783324824
Energy: 1.0655878583053238
Energy: 1.2135565060283753
Energy: 1.265118633265139
Energy: 1.185619338849985
Energy: 0.8682105983009825
Energy: 0.8453507008676042
Energy: 0.8249946368593659
Energy: 0.8683752625465594
Energy: 0.8230108454680874
Energy: 0.8315405520283637
Energy: 0.8578506798340032
Energy: 0.8125333702485933
Energy: 0.8481744981211008
Energy: 0.8559832821382288
Energy: 0.872689629296894
Energy: 0.8322952790156546
Energy: 0.8864849597036369
Energy: 1.1212151257762664
Energy: 1.1208530671793873
Energy: 0.8689627480758438
Energy: 1.379201822474936
Energy: 1.292408458825571
Energy: 0.8870122317460762
Energy: 0.8338573905107362
Energy: 0.8317682065927118
Energy: 0.8872156372851445
Energy: 0.9610257590194718
Energy: 0.8811672818691135
Energy: 0.8825443990963635
Energy: 0.8671065267981483
Energy: 0.8573178694815512
Energy: 0.8820517215461633
Energy: 0.9541550169108557
Energy: 0.8641851713687891
Energy: 1.0956380338355043
Energy: 1.017709534730598
Energy: 1.0183500358908408
Energy: 1.0939518315138343
Energy: 1.1834289800204953
Energy: 0.9383161118312143
Energy: 1.0222514208076192
Energy: 0.9089095415946977
Energy: 0.9117335760359194
Energy: 1.0226940289843756
Energy: 1.076729918259091
Energy: 0.9095203119850008
Energy: 1.0508620092104421
Energy: 0.8735190058887118
Energy: 0.8726817203711682
Energy: 1.0516422490516644
Energy: 1.0177560625969078
Energy: 0.8723040025925329
Energy: 1.237563671365557
Energy: 0.9218836242669488
Energy: 0.9234006228804079
Energy: 1.2387425873024087
Energy: 1.0595954188485786
Energy: 0.9164250587074683
Energy: 1.2643652045119005
Energy: 1.1398486459513186
Energy: 1.0628966552430736
Energy: 1.2662453650290884
Energy: 1.1213969959491017
Energy: 1.0662838569595146
Energy: 1.2104863509206893
Energy: 0.8798903223156388
Energy: 0.8537880747125707
Energy: 1.212449646300135
Energy: 0.8827856625460149
Energy: 0.8331902781373979
Energy: 1.2370670116508544
Energy: 0.8810449195460285
Energy: 0.8808820281688499
Energy: 1.233256213495295
Energy: 0.8875117387279385
Energy: 0.8455892633778646

minimum gb energy = 0.8123582430467576 eV
minimum distance =  2.39363230128103 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.6831252569228274
Energy: 1.3302208423963846
Energy: 1.329825447869711
Energy: 1.6851286676223847
Energy: 1.3665487738679536
Energy: 1.3297838474615495
Energy: 1.3218948490469817
Energy: 0.8895611288986267
Energy: 0.8897287101620229
Energy: 1.289514547593219
Energy: 0.8896942982155465
Energy: 0.8586106517278179
Energy: 1.2867581759984688
Energy: 0.8848075773726708
Energy: 0.8850218471661696
Energy: 1.2884124585572492
Energy: 0.8847980202031699
Energy: 0.8676164403294195
Energy: 1.3370343318696298
Energy: 1.0740011782021803
Energy: 0.9770759524519115
Energy: 1.3387480538544596
Energy: 1.0633153803778648
Energy: 1.1103919816549168
Energy: 1.2635140885565435
Energy: 0.9229165615691113
Energy: 0.9231551738820124
Energy: 1.2383326531682424
Energy: 0.9463329302830146
Energy: 0.9175552838159992
Energy: 1.1913481577079272
Energy: 0.9270666222269405
Energy: 0.8971619841039472
Energy: 1.1923453108019733
Energy: 0.9468590214562767
Energy: 0.8668179437529502
Energy: 1.184899130290056
Energy: 0.9058370194118494
Energy: 0.8954417439797288
Energy: 1.1861136489458066
Energy: 1.218073922403083
Energy: 0.8956717815160976
Energy: 1.1506227864939782
Energy: 1.0094760429922323
Energy: 1.0095527462804892
Energy: 1.15123850157222
Energy: 1.121847379758185
Energy: 1.0111104405881528
Energy: 0.932059922029503
Energy: 0.9253035469513823
Energy: 0.9147607729542728
Energy: 0.931430752789909
Energy: 1.1493591812951398
Energy: 0.9307435261264165
Energy: 0.9796832956856287
Energy: 0.9037579403598094
Energy: 0.8477033047259857
Energy: 0.9799796180496961
Energy: 0.8738822463461091
Energy: 0.9174245296481384
Energy: 1.2282551955969436
Energy: 1.2640166394487615
Energy: 1.2637858825566093
Energy: 1.2265145292463289
Energy: 1.5878962740119071
Energy: 1.263934637635571
Energy: 0.9016258753900859
Energy: 0.8239729683672258
Energy: 0.8250125951194225
Energy: 0.901647909473192
Energy: 1.2014023053440313
Energy: 0.8460760172392631
Energy: 0.8865905093975253
Energy: 0.8826708685465505
Energy: 0.8732583452069346
Energy: 0.8865654278377026
Energy: 0.920917111210978
Energy: 0.8835001451322226
Energy: 1.4575731928793678
Energy: 1.1098870559534377
Energy: 1.1102630511294533
Energy: 1.4569113332319823
Energy: 1.3380704119255706
Energy: 1.113552735247756
Energy: 0.9710067009440586
Energy: 0.8880728722742958
Energy: 0.9141265615008959
Energy: 0.9714236814984843
Energy: 1.0516548271615733
Energy: 0.895624852162474
Energy: 0.965643440658998
Energy: 0.8809730626631775
Energy: 0.8629844276478842
Energy: 0.9658713955526007
Energy: 1.2081055228172481
Energy: 0.8928932979952008
Energy: 1.174698734659415
Energy: 0.884001255224255
Energy: 0.8837744565363035
Energy: 1.1748607210802833
Energy: 1.1515688569369076
Energy: 0.8838185870566372
Energy: 1.0951507174063009
Energy: 1.0088476646702114
Energy: 0.9997063673105581
Energy: 1.0956732797684507
Energy: 1.1192067395913938
Energy: 0.9262488498561252
Energy: 1.157254889830813
Energy: 0.926414171018435
Energy: 0.9435091225651239
Energy: 1.1581927515007953
Energy: 0.9430468005128287
Energy: 0.9158246410882682
Energy: 1.273380570355514
Energy: 0.9614135220457116
Energy: 0.923798075114458
Energy: 1.2734922213193367
Energy: 0.9855466549924168
Energy: 0.9235078135282587
Energy: 1.585976245821274
Energy: 1.2608981793323082
Energy: 1.2655916680550996
Energy: 1.5867581813365823
Energy: 1.2883349375336275
Energy: 1.265302365283806
Energy: 1.3271965116001925
Energy: 0.8975813889753262
Energy: 0.8742028883504183
Energy: 1.3272672068007239
Energy: 0.9007853170053208
Energy: 0.8157019723912908
Energy: 1.239115421314541
Energy: 0.8855330180312044
Energy: 0.8854535098554098
Energy: 1.2408507107082256
Energy: 0.8904213016744578
Energy: 0.8868871156932481
Energy: 1.334474485289717
Energy: 1.4629164936800714
Energy: 1.4554646397471522
Energy: 1.3362007968941336
Energy: 1.4678173407898742
Energy: 1.1099326645550804
Energy: 1.2518250809316296
Energy: 0.9191939327598986
Energy: 0.897715269232799
Energy: 1.2539924942295313
Energy: 0.9723881200125236
Energy: 0.8975301782986044
Energy: 1.240568467138368
Energy: 0.9316393630355436
Energy: 0.9348471459807686
Energy: 1.2322214053912837
Energy: 0.960678331904326
Energy: 0.8932971127519888
Energy: 1.2228800647503586
Energy: 1.1079993224071334
Energy: 1.0520080782363574
Energy: 1.223887266735328
Energy: 1.1732035740897133
Energy: 1.0637118893454331
Energy: 1.2031834055779955
Energy: 0.9108555396171167
Energy: 0.8964759581857241
Energy: 1.2044234865265449
Energy: 1.156587311239547
Energy: 0.913688213407025
Energy: 1.0292357964072738
Energy: 0.8977149328178036
Energy: 0.8908164555490933
Energy: 1.030603719220106
Energy: 1.1265715748584069
Energy: 0.9210851651551282
Energy: 0.9779170145738011
Energy: 0.9129046859608567
Energy: 0.9230817053851176
Energy: 0.9777123960481008
Energy: 1.1416943853134363
Energy: 0.9146946009885663
Energy: 1.3508816858364998
Energy: 1.2645228744966133
Energy: 1.264273234457665
Energy: 1.2893328669594932
Energy: 1.5185305104346982
Energy: 1.264205663952692
Energy: 0.894463013127765
Energy: 0.824209555379024
Energy: 0.8246677754896551
Energy: 0.8945320598251206
Energy: 1.3068282529229691
Energy: 0.8301636414185722
Energy: 0.8787746144329205
Energy: 0.8524291203072284
Energy: 0.8678314233613152
Energy: 0.8790554191439137
Energy: 1.0698799504580698
Energy: 0.8771954396207897
Energy: 1.4607971029493718
Energy: 1.1099665879337115
Energy: 1.110057907627747
Energy: 1.4612353460887533
Energy: 1.3372846646039873
Energy: 1.1133871810145504
Energy: 0.9852826581709675
Energy: 0.9045130795731287
Energy: 0.8906998035711993
Energy: 0.985394233769203
Energy: 1.0157122280173108
Energy: 0.8906745110344704
Energy: 0.9531516959047986
Energy: 0.8974772318182171
Energy: 0.8975690792827733
Energy: 0.9550074588320795
Energy: 1.228552013636849
Energy: 0.9398419944794272
Energy: 1.1819186401470307
Energy: 1.059231931279918
Energy: 1.0586334949509528
Energy: 1.1227441729097438
Energy: 1.2033229192689363
Energy: 1.0594803738652512
Energy: 1.1397291752226077
Energy: 1.0036762700465465
Energy: 0.9525958529217197
Energy: 1.1409944807703225
Energy: 1.0359861479532133
Energy: 0.9263416576639668
Energy: 1.1218817135390116
Energy: 0.9506274284160744
Energy: 0.9341487118386202
Energy: 1.1221290204161638
Energy: 0.9954325574209355
Energy: 1.0061537048490194
Energy: 1.2008139111412746
Energy: 0.9243727133081581
Energy: 0.9242210884202599
Energy: 1.1650751168499505
Energy: 0.9375208244296771
Energy: 0.9195320128639562
Energy: 1.4166936408364046
Energy: 0.9752925948268649
Energy: 0.8262683184024074
Energy: 1.4166128160798888
Energy: 0.9749519402086249
Energy: 0.8236986926063732

minimum gb energy = 0.8157019723912908 eV
minimum distance =  2.37558606196209 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.2922855387213206
Energy: 1.4028636971377
Energy: 1.393504936786026
Energy: 1.2946993513392464
Energy: 1.5381009944366448
Energy: 1.1008995215886155
Energy: 1.2251410170344832
Energy: 0.8979029332588903
Energy: 0.8955422896336176
Energy: 1.2026839126197857
Energy: 0.8952216612379074
Energy: 0.8885929137387035
Energy: 1.2004432392995783
Energy: 0.874634609650489
Energy: 0.8745565720727532
Energy: 1.2026342205231686
Energy: 0.8744216250056178
Energy: 0.8098036894875938
Energy: 1.1675760628340266
Energy: 1.0170095269021342
Energy: 1.0171126187144934
Energy: 1.168020183056685
Energy: 0.9944513832144644
Energy: 1.0428921302142176
Energy: 1.2627034462189703
Energy: 0.9769706845532475
Energy: 0.9770825806597478
Energy: 1.2626971062847883
Energy: 1.040371155691697
Energy: 0.9308887401832033
Energy: 1.0719781837946376
Energy: 0.9649484853864168
Energy: 0.9590607852233004
Energy: 1.0710962888504576
Energy: 0.99439906461471
Energy: 0.9791881240591135
Energy: 0.9999195595026614
Energy: 0.8825971688442795
Energy: 0.9763050230098458
Energy: 0.9999369846271309
Energy: 1.1488524380030811
Energy: 0.9666009053484182
Energy: 1.1177484881399284
Energy: 1.0677826394787955
Energy: 1.0679762167152846
Energy: 1.1187354467202628
Energy: 1.0673340395664896
Energy: 1.0678918229432335
Energy: 0.874346281563294
Energy: 0.888430091553441
Energy: 0.8531061624300081
Energy: 0.8744440874401117
Energy: 0.9470805371187647
Energy: 0.8098929450140646
Energy: 0.8959166117896761
Energy: 0.7798684308543631
Energy: 0.8526203931893012
Energy: 0.8959310113506169
Energy: 0.8223018224713124
Energy: 0.8953592156774366
Energy: 0.8885332137934461
Energy: 1.2487477035514902
Energy: 1.2486536188356323
Energy: 0.8882368720768226
Energy: 1.2481340050085332
Energy: 1.2485829920250648
Energy: 0.9427657116354669
Energy: 0.8610368338912581
Energy: 0.8528507094193198
Energy: 0.9427291428286156
Energy: 1.1685161094737169
Energy: 0.8894532173466569
Energy: 0.8927923018604635
Energy: 0.8888217610327568
Energy: 0.8423419474902577
Energy: 0.8937071466077054
Energy: 1.1798248873457482
Energy: 0.8900461764571813
Energy: 1.0057308077590943
Energy: 1.0444303786212579
Energy: 1.0439692590239027
Energy: 1.032316057206993
Energy: 1.0719059087778624
Energy: 1.0436438118203455
Energy: 1.1086431854261465
Energy: 0.9082953227391743
Energy: 1.0038821279454246
Energy: 1.1102468396747407
Energy: 1.1099120120427275
Energy: 0.9511095677435641
Energy: 1.0400770703381907
Energy: 0.9214184826570536
Energy: 0.9262117575824733
Energy: 1.0401009516821011
Energy: 0.9544350896749553
Energy: 0.9860802862748025
Energy: 1.2145577067318554
Energy: 0.8896414748542124
Energy: 0.889732581580444
Energy: 1.0723361504031066
Energy: 0.893697266269892
Energy: 0.8591790969983074
Energy: 1.3187471825195265
Energy: 0.9214710767987471
Energy: 0.9073729448393019
Energy: 1.314661721734787
Energy: 0.9426873678598366
Energy: 0.9071049154744645

minimum gb energy = 0.7798684308543631 eV
minimum distance =  2.37905420475231 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.0675578773475565
Energy: 0.8878350338581611
Energy: 0.9623850440553913
Energy: 1.070237494498865
Energy: 0.8339188881899858
Energy: 0.9647200111940543
Energy: 1.1418161309797525
Energy: 0.8020032450710132
Energy: 0.8019049960626151
Energy: 1.07738328585731
Energy: 0.8018380531019396
Energy: 0.8034460165020899
Energy: 1.172694844318687
Energy: 0.8383838146568509
Energy: 0.838428494507973
Energy: 1.172778577779699
Energy: 0.838427433335012
Energy: 0.8386455473803628
Energy: 0.9257414831197437
Energy: 0.8394329011406646
Energy: 0.9715429033189044
Energy: 0.9249189736916171
Energy: 0.9428231184130778
Energy: 0.8391329851243526
Energy: 1.1985704305138796
Energy: 0.8016850241762766
Energy: 0.803645721643124
Energy: 1.1985934427642537
Energy: 0.8382862013445174
Energy: 0.8037424529428715
Energy: 0.9286520600857882
Energy: 0.8334499192347354
Energy: 0.9249202327349871
Energy: 0.9284340620983778
Energy: 0.8332079701987977
Energy: 0.8901884253135294
Energy: 0.9726172361781671
Energy: 0.9328675945929084
Energy: 0.932624041028919
Energy: 0.973444827345259
Energy: 0.885984870282051
Energy: 0.8344086362309509
Energy: 0.9432362998769906
Energy: 0.9639157956284037
Energy: 0.9638287378634357
Energy: 0.9426502919918124
Energy: 1.0692925907352875
Energy: 0.9637569675093696
Energy: 0.8384275362969595
Energy: 0.7276428771700069
Energy: 0.7282879409804881
Energy: 0.8384857642893228
Energy: 1.1396509803816823
Energy: 0.7584636141997815
Energy: 0.8017434967470122
Energy: 1.0062033574344382
Energy: 0.8015493070351041
Energy: 0.8018181817548062
Energy: 0.9778539498147581
Energy: 0.801980707166788
Energy: 1.2970290038476817
Energy: 0.9237602319066753
Energy: 0.8854726095141435
Energy: 1.297386221611042
Energy: 0.925601068917033
Energy: 1.3487783190435216
Energy: 1.0785382273655015
Energy: 0.8719155670636572
Energy: 0.8726313350113136
Energy: 0.9798011278734993
Energy: 0.9235000669618066
Energy: 0.8398844111968385
Energy: 0.7792294180512763
Energy: 0.8547778648460456
Energy: 0.8678804710975218
Energy: 0.7790941766213357
Energy: 1.016224526377311
Energy: 0.8897668620373096
Energy: 1.0161496757013457
Energy: 0.8899861647173979
Energy: 0.8901268968658441
Energy: 0.839492541654461
Energy: 0.9299230142990027
Energy: 0.8896423109483234
Energy: 1.141833883525217
Energy: 0.9798064346971079
Energy: 0.9795620491104078
Energy: 1.1433027948799397
Energy: 0.9793862873023633
Energy: 0.9180855078102347
Energy: 1.06891398294907
Energy: 0.839656197610833
Energy: 0.9307966697683356
Energy: 1.069147872264322
Energy: 0.8397159831566202
Energy: 0.9637477403150239
Energy: 1.1983221118654395
Energy: 0.8017361951172545
Energy: 0.8019862462863538
Energy: 1.1221148130114138
Energy: 0.8014940030032116
Energy: 0.8018232423368288
Energy: 0.9770546049814779
Energy: 0.8382486324833621
Energy: 0.8383064669757234
Energy: 0.976618379863576
Energy: 0.838340825769992
Energy: 0.8386510635911971
Energy: 0.9237670145702048
Energy: 0.838526377638949
Energy: 0.9794626442240757
Energy: 0.9238268447478578
Energy: 1.0793762890595475
Energy: 0.9795055979398976
Energy: 1.016157257738823
Energy: 0.7790345688584631
Energy: 0.9042563004270466
Energy: 1.0162171033977325
Energy: 0.7789549463035095
Energy: 0.8339778646601342
Energy: 0.9277303621963441
Energy: 0.8398995699468076
Energy: 0.8903663156544406
Energy: 0.928329154728961
Energy: 0.8387978119696755
Energy: 0.8900256425406979
Energy: 0.9730522256725279
Energy: 0.932440344582662
Energy: 1.0426234010790802
Energy: 0.973026720211585
Energy: 1.0779444403261957
Energy: 0.9242861373239208
Energy: 0.9426613391656264
Energy: 0.9630810028827497
Energy: 0.9630542909730391
Energy: 0.9427541484077958
Energy: 1.0694074117489774
Energy: 0.9627681386881406
Energy: 0.801971470179223
Energy: 0.9062051133151422
Energy: 0.9054851393372612
Energy: 0.8018849928344169
Energy: 1.1419397232537307
Energy: 0.804287484723135
Energy: 0.8384299004687231
Energy: 0.8146714627888615
Energy: 0.8383899038616337
Energy: 0.8384655311652246
Energy: 0.884910427937317
Energy: 0.8384437018184314
Energy: 0.9427017047285345
Energy: 0.9238913577267236
Energy: 0.8860643468865098
Energy: 0.9427457865296757
Energy: 0.9238770307397013
Energy: 0.9712891857833925
Energy: 0.9742995517188403
Energy: 0.8847069174655877
Energy: 0.8338910912374161
Energy: 0.9731751434052827
Energy: 0.9778099319077742
Energy: 0.8016275877159448
Energy: 0.7790140358748007
Energy: 0.9053465717080954
Energy: 0.9043137279325452
Energy: 0.7790523635714063
Energy: 0.9644216919727501
Energy: 0.8340959021715249
Energy: 1.0784526646295551
Energy: 0.9055387725817651
Energy: 0.9053477859184736
Energy: 0.9812854029426646
Energy: 0.9644629963521225
Energy: 0.8131577202477709
Energy: 1.0687485763669655
Energy: 0.9716356347998211
Energy: 0.9311940100678341
Energy: 1.0689370777956075
Energy: 0.9426494371702092
Energy: 0.963742112182093

minimum gb energy = 0.7276428771700069 eV
minimum distance =  2.32776795636748 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.9041348929998173
Energy: 1.221645332354949
Energy: 1.3085537855099074
Energy: 0.9065328708815014
Energy: 1.5100858851487569
Energy: 1.3087150370641403
Energy: 1.1007009279644622
Energy: 0.8314725337564101
Energy: 0.8314180341542158
Energy: 0.988568139160184
Energy: 0.8315432969342683
Energy: 0.8312052567727848
Energy: 0.8855309317624628
Energy: 0.781093079145627
Energy: 0.7812492938365763
Energy: 0.885511265297694
Energy: 0.7822833675921476
Energy: 0.7812625347464768
Energy: 1.1334366490745273
Energy: 1.0007713379623304
Energy: 1.0027263253992724
Energy: 1.2567246142635558
Energy: 1.035372212875571
Energy: 1.0034255990544054
Energy: 0.9867909993325116
Energy: 0.8579195210749863
Energy: 0.7486388125594838
Energy: 0.9856180964377041
Energy: 0.9761797993302287
Energy: 0.7452131541715382
Energy: 0.8149024424310554
Energy: 0.8665760195405184
Energy: 0.8662926227655046
Energy: 0.8149501297442424
Energy: 0.9064979390949838
Energy: 0.8414240188666884
Energy: 0.8207511669421029
Energy: 0.6896045975922044
Energy: 0.7169141453566021
Energy: 0.8207589723348334
Energy: 0.8157653943161671
Energy: 0.8199670014263377
Energy: 0.8313971800653107
Energy: 1.0892683016180742
Energy: 1.0898782787728591
Energy: 0.8312822046902909
Energy: 1.2244117488137274
Energy: 1.0508889276950384
Energy: 0.9831156988490173
Energy: 0.997791591206598
Energy: 0.7327929944602762
Energy: 0.9895184461318557
Energy: 1.2531084224617839
Energy: 0.7559056916359992
Energy: 0.8566910035229514
Energy: 0.8496804807197036
Energy: 0.8203268148295964
Energy: 0.85762145780928
Energy: 0.8850402935065044
Energy: 0.8065392018603
Energy: 0.885507577859797
Energy: 0.8048271871420812
Energy: 0.80605654974954
Energy: 0.8858987733408484
Energy: 0.8208046478888195
Energy: 0.8059260957500614
Energy: 1.042722324917287
Energy: 0.8314985516632442
Energy: 0.8323927282806641
Energy: 0.9766950164406929
Energy: 0.9057412079935612
Energy: 0.7614406492826258

minimum gb energy = 0.6896045975922044 eV
minimum distance =  2.36076317171006 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.4464832279944324
Energy: 1.4557937334789173
Energy: 1.2423904649538078
Energy: 1.4480888917404213
Energy: 1.636966322003082
Energy: 1.2476823947923439
Energy: 0.9013997061640021
Energy: 0.690043281851936
Energy: 0.690067881742433
Energy: 0.818624129545355
Energy: 0.6909816661081251
Energy: 0.7957414330107873
Energy: 0.7038024523460188
Energy: 0.6656240426232188
Energy: 0.6659054776909019
Energy: 0.759780447492825
Energy: 0.6668067818476375
Energy: 0.6659813010336814
Energy: 0.9163073988692414
Energy: 0.7214702017419315
Energy: 0.784955845658902
Energy: 0.9174109378540544
Energy: 0.8181021466449736
Energy: 0.7957401034759862
Energy: 0.8081411163574458
Energy: 0.7655282562465535
Energy: 0.7019090479726942
Energy: 0.9383393421230817
Energy: 0.9682554419985501
Energy: 0.7427216697993236
Energy: 0.7190939081167589
Energy: 0.9769273919261077
Energy: 0.8453977749598698
Energy: 0.7188955080922391
Energy: 1.0811753459389561
Energy: 0.6972032051232558
Energy: 0.6873347859841109
Energy: 0.6346719976093547
Energy: 0.7044527695716948
Energy: 0.6883989131303826
Energy: 0.9066557905007939
Energy: 0.6882700107721508
Energy: 0.6988325792425187
Energy: 0.8516266791331912
Energy: 0.8763024855523005
Energy: 0.6993107567034624
Energy: 0.9067968262706367
Energy: 0.6994472756906801
Energy: 0.9453450542131883
Energy: 0.704732075233355
Energy: 0.797616059101313
Energy: 0.947288727397481
Energy: 0.8674845738902741
Energy: 0.823750956079113
Energy: 1.092821177992845
Energy: 0.7431038218295821
Energy: 0.7913464088144467
Energy: 1.0940202423950038
Energy: 0.9735922739349425
Energy: 0.8866949376568477
Energy: 0.6660118201696358
Energy: 0.699160150315217
Energy: 0.6990694894193331
Energy: 0.7832187506240517
Energy: 0.6991372398018187
Energy: 0.6989510831445576
Energy: 0.944115202102099
Energy: 0.7198583963679551
Energy: 0.719610787043194
Energy: 0.9450952585058098
Energy: 0.719897732932701
Energy: 0.7755346927806703
Energy: 1.264206789339245
Energy: 1.3110005607544977
Energy: 1.1113118553196144
Energy: 1.266052627021965
Energy: 1.3108698978998716
Energy: 1.1127881108291775
Energy: 1.004039248603937
Energy: 0.7344700612943255
Energy: 0.7340313099230938
Energy: 0.9956960220529933
Energy: 0.8663792685373007
Energy: 0.7814998997251471
Energy: 0.78053688883973
Energy: 0.7174871027236147
Energy: 0.7210247382110803
Energy: 0.7806444341171146
Energy: 0.735984364330389
Energy: 0.8509884133298259
Energy: 0.6725602826743828
Energy: 0.6842633225900904
Energy: 0.6542422885296483
Energy: 0.6719137310135501
Energy: 0.693316186794288
Energy: 0.6714136040646672
Energy: 0.6894624268245736
Energy: 0.7665303144685053
Energy: 0.7194784392364981
Energy: 0.6893629334621246
Energy: 1.118819792240273
Energy: 0.6911460329907123
Energy: 0.8117413545104394
Energy: 1.1116490237300802
Energy: 0.7914900278111733
Energy: 0.8109043848129753
Energy: 1.2692311240981504
Energy: 0.7851551889381762
Energy: 0.6863391098596637
Energy: 0.6657711270426663
Energy: 0.675707041197482
Energy: 0.6865727904003188
Energy: 0.714146300114642
Energy: 0.7055701941831936
Energy: 0.7006058291684385
Energy: 0.6958915993939355
Energy: 0.695404993749382
Energy: 0.7014529765642527
Energy: 0.6850441387099371
Energy: 0.6955284632756268
Energy: 0.7036792277510927
Energy: 0.6832508747471467
Energy: 0.6834016473957847
Energy: 0.6997826556612814
Energy: 0.6867805480766247
Energy: 0.6938208758333649
Energy: 1.4484313830128133
Energy: 0.69028232947646
Energy: 0.7330942635302566
Energy: 1.450239107811407
Energy: 0.8085110882995088
Energy: 1.1327030394133546
Energy: 1.1579313266149274
Energy: 0.68955959632505
Energy: 0.689553677951974
Energy: 1.0228608130034091
Energy: 0.6887744644425811
Energy: 0.7935190668537433
Energy: 0.8045831431146705
Energy: 0.666301804732831
Energy: 0.6661267886522786
Energy: 0.804876494861936
Energy: 0.6661144863241785
Energy: 0.6664248410690583
Energy: 0.9079667278693943
Energy: 0.7798140319465009
Energy: 0.8509366218214708
Energy: 0.9092751413161372
Energy: 0.7794157044782397
Energy: 0.8510710922377843
Energy: 0.8668373397532585
Energy: 0.6993856790678046
Energy: 0.7471938681677335
Energy: 0.9344089785730599
Energy: 0.8512447331339994
Energy: 0.7662033998132398
Energy: 1.335798089402412
Energy: 0.9796594169655736
Energy: 0.9767842084679353
Energy: 1.3356593915191997
Energy: 1.0835686840908907
Energy: 1.2764356797653738
Energy: 0.7195694475404494
Energy: 0.8830855600881917
Energy: 0.740126420865305
Energy: 0.7197983672662621
Energy: 0.9599512912175197
Energy: 0.719748485023683
Energy: 0.6993104177151201
Energy: 0.7614851726965522
Energy: 0.6996686457014483
Energy: 0.6991424235942576
Energy: 0.8769770830716794
Energy: 0.6996601202140638
Energy: 1.0653379980213802
Energy: 0.8530715139634673
Energy: 0.8639419819702584
Energy: 0.9723088908839759
Energy: 0.90660124246081
Energy: 0.860740821258765
Energy: 0.665837467422885
Energy: 0.7203614177360169
Energy: 0.7921252497009089
Energy: 0.6659793138767078
Energy: 0.9386540299029906
Energy: 0.8770075920874956
Energy: 1.0858469333855953
Energy: 0.8038391189693943
Energy: 0.8038146659990012
Energy: 1.0872087593060755
Energy: 0.8039686656819554
Energy: 0.9817170540881494
Energy: 0.9706310350604055
Energy: 0.7040555902456795
Energy: 0.7038595692274863
Energy: 0.9440739000893831
Energy: 0.704347911686197
Energy: 0.7038352647135933
Energy: 1.27027278213957
Energy: 0.7199444038407934
Energy: 0.7199257035828667
Energy: 1.2717145824857305
Energy: 0.7200277711731289
Energy: 0.9961877197949509
Energy: 0.9174452034843162
Energy: 0.7192934591190866
Energy: 0.7193891329791845
Energy: 0.9723943119046425
Energy: 0.8571749881371395
Energy: 0.83667300247344
Energy: 0.8180854956820217
Energy: 0.7172888562601609
Energy: 0.8064821914813742
Energy: 0.8180934469806107
Energy: 0.7324927726073008
Energy: 0.7991501562473929
Energy: 0.6658806594818657
Energy: 0.7215133893573676
Energy: 0.6982913157428461
Energy: 0.6671545150841567
Energy: 0.7615613730101611
Energy: 0.666199060321101
Energy: 0.6899310843596087
Energy: 0.7290582283853076
Energy: 0.8005982325557414
Energy: 0.6900724455441646
Energy: 0.6936636261995427
Energy: 0.6916371722682069
Energy: 1.6510517000973484
Energy: 1.1108530518561819
Energy: 1.1131702442630274
Energy: 1.6511730652484222
Energy: 1.26584512472297
Energy: 1.404004401807945
Energy: 0.6873340750332311
Energy: 0.7163892044396396
Energy: 0.7181535765810036
Energy: 0.791646590596596
Energy: 0.7198106675593728
Energy: 0.7061933494867835
Energy: 0.6851930126774187
Energy: 0.6813641046703688
Energy: 0.6604277449640331
Energy: 0.6846759755315023
Energy: 0.7036218640357361
Energy: 0.6792231115195285
Energy: 0.7021356090118416
Energy: 0.6791692099945925
Energy: 0.6797114273882255
Energy: 0.7020200699745421
Energy: 0.6847532132321346
Energy: 0.679782429905729
Energy: 1.1577024659624549
Energy: 0.6896799980585189
Energy: 0.6899122912661396
Energy: 1.1605311212469125
Energy: 0.688998190269195
Energy: 0.7735819569570908

minimum gb energy = 0.6346719976093547 eV
minimum distance =  2.3554744694073 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.29668955615203296
Energy: 0.3070406089068231
Energy: 0.3064333781077745
Energy: 0.29928007725836053
Energy: 0.3178204647125962
Energy: 0.29739335960382907
Energy: 0.29756834157069034
Energy: 0.3374391719800583
Energy: 0.3141648318103859
Energy: 0.3351831776055591
Energy: 0.3364485313210027
Energy: 0.3143645022935478
Energy: 0.37763340206407464
Energy: 0.33852140198125946
Energy: 0.33874959979333097
Energy: 0.37717142048805796
Energy: 0.33887176390408114
Energy: 0.3381133684328881
Energy: 0.3772278282921146
Energy: 0.33874979571270913
Energy: 0.3388383175116825
Energy: 0.37722188166307324
Energy: 0.3779075334877692
Energy: 0.3382996758216717
Energy: 0.37371951803223846
Energy: 0.29800986862095935
Energy: 0.3271325124650428
Energy: 0.37425646052405187
Energy: 0.2976803724811905
Energy: 0.3484733239322335
Energy: 0.3389597232207502
Energy: 0.2976374390077781
Energy: 0.2976989383995654
Energy: 0.3388582064776198
Energy: 0.2974887044815115
Energy: 0.32678439877877236
Energy: 0.33391916545070927
Energy: 0.31363552860700483
Energy: 0.34966355582671527
Energy: 0.33452579051709885
Energy: 0.3378907294368204
Energy: 0.350077566526466
Energy: 0.9719921661659866
Energy: 1.0001483988410278
Energy: 0.9998178059741412
Energy: 0.9713951723913513
Energy: 1.194271231722848
Energy: 0.9692502278182512
Energy: 0.37323380879331025
Energy: 0.38341366088824924
Energy: 0.3379259951159815
Energy: 0.37404390615628685
Energy: 0.3769712723184782
Energy: 0.3379782779577555
Energy: 0.29736833870712037
Energy: 0.3772364093492933
Energy: 0.3293020510653932
Energy: 0.29746923194266206
Energy: 0.37680975417607915
Energy: 0.32812563862579647
Energy: 0.2974090129530509
Energy: 0.3384816119744159
Energy: 0.3146091234320635
Energy: 0.297585799914456
Energy: 0.3385166656215649
Energy: 0.32717336411546916
Energy: 0.3753223449157838
Energy: 0.3375353080600041
Energy: 0.35263271071370705
Energy: 0.3761243624825823
Energy: 0.33696741127089597
Energy: 0.352664105754602
Energy: 1.1957443652252115
Energy: 0.9969536686476999
Energy: 0.9962519708830009
Energy: 1.1958876813630386
Energy: 0.9706559936457058
Energy: 0.9977047027882864
Energy: 0.37427588732793654
Energy: 0.33746432762658035
Energy: 0.3524268920497622
Energy: 0.374759541589337
Energy: 0.33662425064386753
Energy: 0.35247729989372095
Energy: 0.3773222838237714
Energy: 0.29739492361377723
Energy: 0.2974166108282014
Energy: 0.3776083027927582
Energy: 0.29745148112772024
Energy: 0.29790647385710706
Energy: 0.33667543737556466
Energy: 0.33655264311388966
Energy: 0.31434925878170966
Energy: 0.33689966516429115
Energy: 0.2976976266333031
Energy: 0.31423110148169464
Energy: 0.3387122721316374
Energy: 0.3381730102992215
Energy: 0.33800542317392906
Energy: 0.33857574390388867
Energy: 0.3367746366160486
Energy: 0.3379526924438126
Energy: 0.3786790183607055
Energy: 0.384213114610248
Energy: 0.3385766384891451
Energy: 0.37686308309643685
Energy: 0.37997179313469426
Energy: 0.33866894046477763
Energy: 0.2974734580743898
Energy: 0.33813419840999437
Energy: 0.3488095585221985
Energy: 0.29762888235405854
Energy: 0.3745032782829804
Energy: 0.3500155209592611

minimum gb energy = 0.29668955615203296 eV
minimum distance =  2.42547108913334 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.203450268873841
Energy: 1.394711496627285
Energy: 1.1964327835392357
Energy: 1.2056636323162309
Energy: 1.5683098410916538
Energy: 1.2785249068934632
Energy: 0.7556392134716431
Energy: 0.5320169943651485
Energy: 0.5686364609653858
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Energy: 0.5357576029581184
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Energy: 0.5397896980844262
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Energy: 0.553555628117981
Energy: 0.5403946462014111
Energy: 0.565212668134801
Energy: 0.5567180443943126
Energy: 0.539346155646765
Energy: 0.5874022777384049
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Energy: 0.5406279739878828
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Energy: 0.550593742210763
Energy: 0.5317024995139839
Energy: 0.7189774940197823
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Energy: 1.0202481647113761
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Energy: 0.8577135050260225
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Energy: 0.6338922947193683
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Energy: 0.6240825942335948
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Energy: 0.6864972826151161
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Energy: 0.7205257024754185
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Energy: 0.7482115839109109
Energy: 0.9055640031415128
Energy: 0.9628850521225886
Energy: 0.952741860025448
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Energy: 0.9701881053793459
Energy: 1.123313132915754
Energy: 1.0384074834572596
Energy: 0.7189735864469258
Energy: 0.6920951727988923
Energy: 1.0395148618063972
Energy: 0.94924571804515
Energy: 0.8987988322025138
Energy: 0.9050977468082121
Energy: 1.070875584588463
Energy: 1.0124298974872559
Energy: 0.9073205072998209
Energy: 1.1461272471195125
Energy: 1.056174424049583
Energy: 1.0582463556347816
Energy: 0.7501059462830716
Energy: 0.7471363402235772
Energy: 0.9096117150769949
Energy: 0.7325711933612442
Energy: 0.7094141640637346
Energy: 0.9948979904183087
Energy: 0.732926115055702
Energy: 0.7451835216868552
Energy: 0.7127121943493488
Energy: 0.7365536360269316
Energy: 0.7221814124097318
Energy: 0.7543067079919568
Energy: 0.8564782991789988
Energy: 0.9510501202067829
Energy: 0.7559360889097836
Energy: 0.853004091692869
Energy: 0.9498258405304579
Energy: 0.9902681237512158
Energy: 0.6868347335011268
Energy: 0.658057730333247
Energy: 0.7777121004847681
Energy: 0.9851129788864511
Energy: 0.7606385011826341
Energy: 1.2544109849199343
Energy: 1.0836739615142394
Energy: 1.0616571901916452
Energy: 1.2955254537909466
Energy: 1.0810790186253354
Energy: 1.248401635398527
Energy: 0.6150623495912624
Energy: 0.6553665217572053
Energy: 0.6549768033001901
Energy: 0.6156403493489505
Energy: 0.7963125632027784
Energy: 0.6255828368927531
Energy: 0.63284824469682
Energy: 0.7091640529649819
Energy: 0.6295735787454922
Energy: 0.6342948547545793
Energy: 0.6989930823912994
Energy: 0.6293940484923272
Energy: 0.6278671395198681
Energy: 0.5516459650111285
Energy: 0.5502751965570465
Energy: 0.628834790974267
Energy: 0.5368478445039414
Energy: 0.72366008445778
Energy: 1.2990580394851536
Energy: 0.5319826211517119
Energy: 0.6032588977809605
Energy: 1.150857940035878
Energy: 0.7581454553532193
Energy: 0.5503026017648552

minimum gb energy = 0.5203536709957595 eV
minimum distance =  2.38194615181818 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.1670910022859946
Energy: 1.2790104296946578
Energy: 1.2798584389117924
Energy: 1.1688463176746966
Energy: 1.5037750223498283
Energy: 1.0365042660833044
Energy: 0.9071703970690798
Energy: 0.5888351946219166
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Energy: 0.6269588465243874
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Energy: 0.6290887922188528
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Energy: 0.6314639160232979
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Energy: 0.5946609497995942
Energy: 0.7007811287537471
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Energy: 0.7776650499649216
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Energy: 0.5931201789448356
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Energy: 1.020712508287014
Energy: 1.1690036984095322
Energy: 1.1588273337964217
Energy: 1.0218352719229438
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Energy: 1.1589096737550681
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Energy: 0.6830241933037019
Energy: 0.594888671418653
Energy: 0.7220444071122935
Energy: 0.677385781963297
Energy: 0.7030064707151839
Energy: 0.7599094404787223
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Energy: 0.7027949218006209
Energy: 0.7597478597365033
Energy: 0.6933708559646182
Energy: 0.8986774788874609
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Energy: 0.682976968039548
Energy: 0.6838769030353455
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Energy: 0.9922451342852472
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Energy: 0.9923982168347355
Energy: 0.9922259123036562
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Energy: 0.6858823943818543
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Energy: 0.5950324164356544
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Energy: 0.9630858955066424
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Energy: 1.1686640938995438
Energy: 0.9566905087563212
Energy: 0.9806591480899572
Energy: 1.1972619490272358
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Energy: 0.6917291460443566
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Energy: 0.6437988720968071
Energy: 0.6397436722344697
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Energy: 0.6176936804968555
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Energy: 0.5914129201146141
Energy: 0.7330704234183099
Energy: 0.6904925172461382
Energy: 0.5915942530477106
Energy: 0.6270703246886115
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Energy: 1.5052741853709308
Energy: 1.1593254633548087
Energy: 1.1754163039213104
Energy: 1.5043949009254014
Energy: 1.1595575804631326
Energy: 1.0947750444042337
Energy: 0.898354223196518
Energy: 0.7550253984371437
Energy: 0.754927344353267
Energy: 0.5921665810394438
Energy: 0.8597118377086868
Energy: 0.6781278229027948
Energy: 0.7024264328414823
Energy: 0.7413242470892003
Energy: 0.8697876512948312
Energy: 0.7024175042647604
Energy: 0.740943192056715
Energy: 0.677356730452718
Energy: 0.8990338627279625
Energy: 0.6856086974989057
Energy: 0.7017058363834088
Energy: 0.5948788371062577
Energy: 0.6858315417071452
Energy: 0.6183589137517125
Energy: 0.8595830407449668
Energy: 0.7142624183698814
Energy: 0.6155944116028818
Energy: 0.8587006668633159
Energy: 0.7140633601564672
Energy: 0.616390094887813
Energy: 0.9301927910044889
Energy: 0.9924730432888107
Energy: 0.9925068038158529
Energy: 0.9299850525938763
Energy: 0.8170277873868708
Energy: 0.6160556090466913
Energy: 1.185412352126538
Energy: 0.6578295899637318
Energy: 0.6953789279448898
Energy: 1.166081130780172
Energy: 0.5638932933959605
Energy: 0.686334723662874
Energy: 1.084349753032731
Energy: 1.0360722837165552
Energy: 1.0337542833803688
Energy: 1.0838017213811575
Energy: 1.065565631852912
Energy: 0.9830174339054576
Energy: 0.684272225082138
Energy: 0.7197811317476228
Energy: 0.7608844722212836
Energy: 0.6843750363577182
Energy: 0.7127878127297264
Energy: 0.6983411238688477
Energy: 0.7592874028881406
Energy: 0.8544084238001386
Energy: 0.7457272627700572
Energy: 0.7599704407896314
Energy: 0.8682153386503837
Energy: 0.7603544624869019
Energy: 0.8573292271118342
Energy: 0.6173056346951008
Energy: 0.6437534019797753
Energy: 0.8572779888215115
Energy: 0.5948365706320721
Energy: 0.6374725173375335
Energy: 1.1669666027188264
Energy: 0.5901311129347289
Energy: 0.5607289892973861
Energy: 1.0608019181422415
Energy: 0.8961487225589618
Energy: 0.5576940747579042

minimum gb energy = 0.5576940747579042 eV
minimum distance =  2.39348752190956 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.8107662205922364
Energy: 1.1066895798249323
Energy: 1.1063644540804152
Energy: 0.8127166600932719
Energy: 1.4176798335818508
Energy: 1.1053032283232203
Energy: 1.045402959674302
Energy: 0.6529757765935508
Energy: 0.6876898027823499
Energy: 0.6772317284646506
Energy: 0.6549020479780947
Energy: 0.6331475112821326
Energy: 0.7094405201279238
Energy: 0.6930078645311288
Energy: 0.692942005384099
Energy: 0.7105124959157687
Energy: 0.692295200791749
Energy: 0.6941777743245002
Energy: 0.7090623425831964
Energy: 0.7127845419000848
Energy: 0.6424124867186005
Energy: 0.7100345349060596
Energy: 0.667814965640912
Energy: 0.6925201528388846
Energy: 0.7082120200975882
Energy: 0.9491048703204155
Energy: 0.6939902451015268
Energy: 0.7050573665111539
Energy: 1.0369904755003394
Energy: 0.6841227968949114
Energy: 0.7646792969982086
Energy: 0.9475494704767936
Energy: 0.9358356228834206
Energy: 0.7647993830023744
Energy: 1.132461929589414
Energy: 0.9357149643730931
Energy: 0.9531377848677064
Energy: 0.7103185058933886
Energy: 0.7546702257274936
Energy: 0.6666929489054823
Energy: 0.6719397472960972
Energy: 0.7577130506496051
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Energy: 0.6459275939007382
Energy: 0.8010555885583882
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Energy: 0.6180669342959202
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Energy: 1.1327547284958521
Energy: 0.8666665328564715
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Energy: 0.8643152537644017
Energy: 1.0556304082335
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Energy: 0.9071711987273577
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Energy: 0.9017774899469421
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Energy: 0.6421854019571439
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Energy: 0.7764778981602285
Energy: 0.7319015589121801
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Energy: 0.9207522910145133
Energy: 0.8762457736175349
Energy: 1.1310184997843757
Energy: 0.9225596303279581
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Energy: 0.7531532522701145
Energy: 1.0398333732112888
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Energy: 0.7570357276637419
Energy: 0.666635911623079
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Energy: 0.6674447754547795
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Energy: 0.7580083072640473
Energy: 0.8420139707168048
Energy: 0.7565309706108124
Energy: 0.6955963923864784
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Energy: 0.7086486960357875
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Energy: 0.617250398036172
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Energy: 0.9130272776933358
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Energy: 0.7728779262782458
Energy: 1.4666449282897018
Energy: 0.9137548624137808
Energy: 1.1029297670909628
Energy: 1.101204400400967
Energy: 0.9137792261447718
Energy: 1.10276052752121

minimum gb energy = 0.6110505945015298 eV
minimum distance =  2.39741145419498 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.9853517766348705
Energy: 0.6783218404667717
Energy: 0.6756431574501922
Energy: 0.9875270652116989
Energy: 0.7297331883701733
Energy: 0.6754686058731411
Energy: 0.9820872952955074
Energy: 0.7592673968876898
Energy: 0.7036348309810012
Energy: 0.9004514341596666
Energy: 0.7592804037461094
Energy: 0.703654430688163
Energy: 0.8108041468336047
Energy: 0.6609844794126413
Energy: 0.6921114346719814
Energy: 0.8109460018968687
Energy: 0.6608430183632742
Energy: 0.6942282428711336
Energy: 0.7440602111450082
Energy: 0.6920080847566388
Energy: 0.690723586174957
Energy: 0.7442694986936742
Energy: 0.6871463770549354
Energy: 0.6868853358279595
Energy: 0.7246136144156891
Energy: 0.6882689210264064
Energy: 0.6882449019826543
Energy: 0.7248894657387028
Energy: 0.6792420370404213
Energy: 0.7256078477536977
Energy: 0.7257566347457124
Energy: 0.827535012836363
Energy: 0.7258687540774588
Energy: 0.7257717111343234
Energy: 0.8294196336323766
Energy: 0.7258230689205218
Energy: 0.8185937930612283
Energy: 0.7210349793012617
Energy: 0.6791998819090611
Energy: 0.8158262808336705
Energy: 0.7262748385976676
Energy: 0.678426011417235

minimum gb energy = 0.6608430183632742 eV
minimum distance =  2.42503424481324 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.289431253489768
Energy: 1.0901007329327075
Energy: 1.0877318417075135
Energy: 1.2522298448715539
Energy: 1.057164724243209
Energy: 1.122491563552224
Energy: 1.0932017209644806
Energy: 0.929621138288625
Energy: 0.8888111171671934
Energy: 0.945875419608984
Energy: 0.9251262179240367
Energy: 0.860508570305127
Energy: 0.9935985752254433
Energy: 0.9238985578238912
Energy: 0.8598470047328213
Energy: 0.9863835923977318
Energy: 1.099194772127236
Energy: 0.8872116578731385
Energy: 0.8367819442068397
Energy: 0.8373948621610775
Energy: 0.8777333387267962
Energy: 0.8422694636188746
Energy: 1.0480405269114015
Energy: 0.8626025359323409
Energy: 0.8251443707352301
Energy: 0.8810850836637871
Energy: 0.8833009383597334
Energy: 0.8282848494603726
Energy: 0.988749723898343
Energy: 0.8777051492415788
Energy: 0.9102660081571471
Energy: 0.985388978598698
Energy: 0.8931387212369365
Energy: 0.9178791168443995
Energy: 0.9232078368758381
Energy: 0.8805350859592846
Energy: 0.9816358965575079
Energy: 0.9338867056167545
Energy: 0.9413952577380768
Energy: 0.9728667539009772
Energy: 0.9274985058442163
Energy: 0.8396188861663535
Energy: 1.2083379819006066
Energy: 1.1671321632569376
Energy: 1.0199364214913669
Energy: 1.2099181104383312
Energy: 1.1051368508847814
Energy: 1.0235973448247524
Energy: 0.9551725690159762
Energy: 0.866893703513269
Energy: 0.937734533181396
Energy: 0.8579892452976658
Energy: 0.9615517793356513
Energy: 0.8671677789251456
Energy: 1.1882366002057967
Energy: 0.8689303962297615
Energy: 0.8745670469045029
Energy: 1.2031362098118326
Energy: 1.2462009433623547
Energy: 1.1160311708586
Energy: 0.9619072600451857
Energy: 0.8812357352846661
Energy: 0.8883482115102151
Energy: 0.936703900108328
Energy: 0.829568648604153
Energy: 0.876886529407024
Energy: 0.9330904736003394
Energy: 0.8916941744405088
Energy: 0.8831555380227495
Energy: 0.8962669773697021
Energy: 0.8571915976687303
Energy: 0.8857707250998823
Energy: 0.9958507224212373
Energy: 0.822756446650157
Energy: 0.893306010146439
Energy: 0.9797156374618382
Energy: 0.8274323067364492
Energy: 0.8777325583044515
Energy: 0.9460511167450494
Energy: 0.8263834498753486
Energy: 0.8202256068481772
Energy: 0.9481342168498909
Energy: 0.8209745136480089
Energy: 0.8370067561319328
Energy: 1.0662692099598932
Energy: 0.8915003662810538
Energy: 0.9412084679823068
Energy: 1.0677301407615718
Energy: 0.9076596444047534
Energy: 0.8789825318950335
Energy: 1.0259983111601119
Energy: 0.864426084020584
Energy: 0.8568649185364623
Energy: 1.0186705569808285
Energy: 0.90635070253158
Energy: 0.8936273976282749
Energy: 1.1023570656451944
Energy: 0.9966741253892953
Energy: 0.9878181939716053
Energy: 1.0996805816773902
Energy: 1.3657222201281891
Energy: 1.1049253465349793
Energy: 1.0168875157600505
Energy: 0.8573502519508409
Energy: 0.8889379466469495
Energy: 1.0220814742909496
Energy: 0.9845283334662434
Energy: 0.9152045129400371
Energy: 1.2506962833980548
Energy: 0.9396404659813794
Energy: 0.8956770036176369
Energy: 1.2015393896170254
Energy: 0.9485962498206783
Energy: 0.874354779732246
Energy: 1.1297263820717818
Energy: 0.8902174785592065
Energy: 0.8876471049222213
Energy: 1.0180291922390805
Energy: 0.8997132958470069
Energy: 0.8587008058590259
Energy: 0.9207943061867253
Energy: 0.8318716554685402
Energy: 0.8475012646795734
Energy: 0.972333667742428
Energy: 0.8281893658654617
Energy: 0.8850286064264123
Energy: 0.9605917393264473
Energy: 0.95988996677473
Energy: 0.8973168818818311
Energy: 0.9583380957137524
Energy: 0.9636457940043452
Energy: 0.8982199535875107
Energy: 0.8311733529425949
Energy: 0.8926760887735914
Energy: 0.8674799810550692
Energy: 0.8325089036912517
Energy: 0.847303334309079
Energy: 0.8588901625987427
Energy: 1.028161771142649
Energy: 0.8834702573825162
Energy: 0.8638750058117312
Energy: 1.0286538208865466
Energy: 1.170227384450498
Energy: 1.0247768714949899
Energy: 0.9665135018685821
Energy: 1.002963628027333
Energy: 0.875256471596251
Energy: 0.9603587302544785
Energy: 0.8596921154580132
Energy: 0.8716740884361356
Energy: 1.255550833076479
Energy: 1.0585631329112577
Energy: 0.998732027616633
Energy: 1.1672815176015898
Energy: 1.0645283913328527
Energy: 0.997898056848791
Energy: 0.9660368770829041
Energy: 1.0163187206385722
Energy: 1.0002491137949483
Energy: 0.9655109251466186
Energy: 1.0302866152585461
Energy: 0.9562777891351177
Energy: 0.9658144841145869
Energy: 0.9343864436994228
Energy: 0.8808937091739799
Energy: 0.9594509478660436
Energy: 1.023497720511592
Energy: 0.8786223525186434
Energy: 0.899866432941153
Energy: 0.868180186652056
Energy: 0.8454238409104138
Energy: 0.9007414174245842
Energy: 1.0947288241714936
Energy: 0.9167325542315332
Energy: 0.8195881494861649
Energy: 0.8495307315288287
Energy: 0.8228374692659484
Energy: 0.8336657215451755
Energy: 0.9190162061640019
Energy: 0.8328162004223651
Energy: 0.9047882097059503
Energy: 1.0028898165341606
Energy: 0.8758903611599294
Energy: 0.902903505831776
Energy: 1.0440275677627324
Energy: 0.887563024961691
Energy: 0.9071651571089471
Energy: 0.9690841881157579
Energy: 0.9275088367134092
Energy: 0.9062231779202359
Energy: 0.901388158285644
Energy: 0.8864050106123408
Energy: 1.2080645521629703
Energy: 0.9530847697240564
Energy: 0.9412090610558526
Energy: 1.1834928725521252
Energy: 0.9665089573998895
Energy: 0.9159627609067266
Energy: 0.9009561772682766
Energy: 0.9868034763494334
Energy: 0.9574190533298235
Energy: 1.2509857934472657
Energy: 1.0539065607069014
Energy: 0.9487626428178844
Energy: 0.89412333337498
Energy: 0.927288342394676
Energy: 0.901738934334727
Energy: 0.9098745189036791
Energy: 0.919047214253315
Energy: 0.8967783442417125
Energy: 1.1376844512653606
Energy: 0.8649722524833894
Energy: 0.8604219583711894
Energy: 1.1265951314907887
Energy: 1.2462818177906299
Energy: 1.1160004873760934
Energy: 0.9209045902422677
Energy: 0.8757969010495231
Energy: 0.896806429665504
Energy: 0.9149580350528231
Energy: 0.8762610915739022
Energy: 0.8870022084989736
Energy: 0.9997420157390005
Energy: 0.8260825263578158
Energy: 0.9292360179873776
Energy: 1.0007078215154657
Energy: 0.9057742818011104
Energy: 0.9208375244417327
Energy: 0.9484396027615624
Energy: 0.8144936503227392
Energy: 0.8133242829180277
Energy: 0.9294779132942381
Energy: 0.8177419521735599
Energy: 0.8409078228382347
Energy: 1.064144114134684
Energy: 0.8740703721898693
Energy: 0.8911635276602896
Energy: 1.0661115047473928
Energy: 0.8796502273783784
Energy: 0.883427847284843
Energy: 1.0256396612410754
Energy: 0.9429854981721241
Energy: 0.8670462297115057
Energy: 1.0179731851034703
Energy: 0.9009765793546253
Energy: 0.86773989902742
Energy: 1.0257289987548945
Energy: 0.8966890606130228
Energy: 0.9130833914277907
Energy: 1.0194426717454954
Energy: 1.0742349261024362
Energy: 1.0263433164432099
Energy: 1.105475639111202
Energy: 0.9223601200466526
Energy: 0.9146376536124627
Energy: 1.120333702520196
Energy: 1.1900299721630763
Energy: 1.034931466369349
Energy: 0.9480486111979467
Energy: 0.9070124362760064
Energy: 0.8747979720109866
Energy: 0.9570532768224628
Energy: 1.0175362085052047
Energy: 0.8574902195278167
Energy: 1.1342192676944118
Energy: 1.010110755112527
Energy: 0.9077784919476029
Energy: 1.135839598009385
Energy: 0.9957594834232725
Energy: 0.8765960163145924
Energy: 0.8470392257718011
Energy: 0.8327768841551951
Energy: 0.8413814141201211
Energy: 0.844560462710656
Energy: 0.8270650060293926
Energy: 0.8141251702533715
Energy: 0.961153929725787
Energy: 0.9457270695154112
Energy: 0.8988850134580907
Energy: 0.9703077056457489
Energy: 0.9486094410703756
Energy: 0.8995511784750115
Energy: 0.8295841560196219
Energy: 0.8934432371848734
Energy: 0.8920676588324348
Energy: 0.8318007723794585
Energy: 0.8617825998923436
Energy: 0.8977515353576672
Energy: 0.9096713230351247
Energy: 0.8499089636302065
Energy: 0.8984305368803507
Energy: 0.9129677793369964
Energy: 1.1336270936002377
Energy: 0.918618220729563
Energy: 1.070475272535441
Energy: 0.9314479052428783
Energy: 0.8496702106247583
Energy: 1.093855161845495
Energy: 0.9272015860542289
Energy: 0.9277043931620264
Energy: 1.092871567425535
Energy: 0.8765899259881447
Energy: 0.7790632013964324
Energy: 0.9325790354450744
Energy: 0.9514155472590994
Energy: 0.8564831922367625

minimum gb energy = 0.7790632013964324 eV
minimum distance =  2.35624675509536 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.3280959259332203
Energy: 0.9171149127385027
Energy: 0.8688624883867642
Energy: 1.2788891158354245
Energy: 0.9606037519023062
Energy: 0.9155069908649252
Energy: 0.7537680296211449
Energy: 0.8187569275611102
Energy: 0.8130244055792392
Energy: 0.8046896576091478
Energy: 0.8185296317093224
Energy: 0.810036942317221
Energy: 0.965974691482146
Energy: 0.8476104310172651
Energy: 0.8412368371026707
Energy: 0.943738816980301
Energy: 0.9249403038382602
Energy: 0.9121810533775558
Energy: 0.8172577144453647
Energy: 0.8408023664919704
Energy: 0.8798641793768012
Energy: 0.8202143595107821
Energy: 0.7535003540590361
Energy: 0.8139620644875885
Energy: 0.8254015753276638
Energy: 0.8547403154032388
Energy: 0.8598478552132006
Energy: 0.828456810367863
Energy: 0.8298607512441006
Energy: 0.8563801965709985
Energy: 0.9455300227432715
Energy: 0.9014530552008029
Energy: 0.894481596843741
Energy: 0.9410618684162187
Energy: 0.8965886818898864
Energy: 0.8903931925965686
Energy: 1.0051316049584367
Energy: 0.811167098182521
Energy: 0.7931219431359268
Energy: 1.002279779052676
Energy: 0.8114143174003557
Energy: 0.8621119950195011
Energy: 1.1270308937585365
Energy: 1.0130658224650095
Energy: 0.9653554000210522
Energy: 1.127816813138662
Energy: 0.9982583506638282
Energy: 0.8486588062377416
Energy: 1.0334266518941613
Energy: 0.8281379204479898
Energy: 0.8785460299410508
Energy: 1.0282254850139363
Energy: 0.8191210428623882
Energy: 0.897338171881454
Energy: 0.9380405954694274
Energy: 0.8537407967110753
Energy: 0.849302707774883
Energy: 0.9035163198269105
Energy: 1.0914481649613867
Energy: 0.831397478311247
Energy: 0.8608231766662453
Energy: 0.8098263492511297
Energy: 0.8098668912464143
Energy: 0.8552129255597058
Energy: 0.7092074163586866
Energy: 0.8483173103430938
Energy: 0.7546835641694647
Energy: 0.912179409744217
Energy: 0.9076020138027145
Energy: 0.7555202158110222
Energy: 0.9400263893493145
Energy: 0.9093842248565812
Energy: 0.925389263350488
Energy: 0.861091381405283
Energy: 0.9199345299232384
Energy: 0.9269978676953191
Energy: 0.8609870226086132
Energy: 0.8448345040049965
Energy: 0.7947480503697135
Energy: 0.8287014992437407
Energy: 0.8586622423079558
Energy: 0.8050122523210205
Energy: 0.8297068522809575
Energy: 0.8514480786260201
Energy: 1.1499136605196574
Energy: 0.9488170158057384
Energy: 0.8922845930351583
Energy: 1.1465168973568336
Energy: 0.9445909445949006
Energy: 0.8983960051000969
Energy: 0.7946945307598201
Energy: 0.8675800945679115
Energy: 0.8646285694671053
Energy: 0.7956244195404534
Energy: 0.9839644840868548
Energy: 0.8680103423884433
Energy: 1.0276759281184527
Energy: 0.8009356462949736
Energy: 0.7995723432991496
Energy: 1.023841271656742
Energy: 1.1285785251516107
Energy: 0.7915339207547992
Energy: 0.8960716879937848
Energy: 0.9020799272637272
Energy: 0.8890654562452546
Energy: 0.9139115305970695
Energy: 0.9100753318656636
Energy: 0.9090187862274731
Energy: 0.7087145944197257
Energy: 0.9204026245506322
Energy: 0.8050638004041498
Energy: 0.8038225291746487
Energy: 0.8790529031232842
Energy: 0.8307196416702308
Energy: 0.9600010937743261
Energy: 0.873890995092172
Energy: 0.8098607682267599
Energy: 0.7999379053741189
Energy: 0.8814084237425193
Energy: 0.8139986064116568
Energy: 0.8961626241644255
Energy: 0.8654651426906732
Energy: 0.855265242607497
Energy: 0.9113847608600948
Energy: 0.8353330916514414
Energy: 0.8930035174313263
Energy: 0.9586053971369255
Energy: 0.8469172648051467
Energy: 0.8466532073394287
Energy: 0.9599426074290432
Energy: 0.9248203211297246
Energy: 0.8913845370999308
Energy: 0.8482450755279757
Energy: 0.8736154437312662
Energy: 0.8552356437682221
Energy: 0.8413807994475268
Energy: 0.8026831202373554
Energy: 0.8498669130272446
Energy: 0.8908150335900415
Energy: 0.9229650189023416
Energy: 0.8935663418947501
Energy: 0.8882146340104394
Energy: 1.1626718252082315
Energy: 0.8940449733236774
Energy: 0.9734651876046496
Energy: 0.8533631082080001
Energy: 0.8614628095114008
Energy: 0.9839311504843157
Energy: 0.796679061864539
Energy: 0.8509173809329976
Energy: 1.1281026477791058
Energy: 1.000126277381179
Energy: 0.9995443853851598
Energy: 1.129087001159563
Energy: 1.0390593908135026
Energy: 0.9058016577616471
Energy: 1.137972131963533
Energy: 0.8415323037910536
Energy: 0.8255723228509924
Energy: 1.0549913860446936
Energy: 0.8574077710500664
Energy: 0.9186144826669178
Energy: 1.0006604549723614
Energy: 0.8128920958318613
Energy: 0.8961517915141786
Energy: 0.995179189595759
Energy: 0.7090707586290035
Energy: 0.8490403967310814
Energy: 0.8609701299462016
Energy: 0.8535620325267972
Energy: 0.8536140756717174
Energy: 0.8327215720952483
Energy: 1.0933958636269108
Energy: 0.8493309900991007
Energy: 0.8942937753096126
Energy: 0.8816074622017064
Energy: 0.8395431146585287
Energy: 0.8891741192124536
Energy: 0.8249690846342334
Energy: 0.9036954515502206
Energy: 0.9279431006597737
Energy: 0.9356744127340617
Energy: 0.92494057553616
Energy: 0.9291277010860438
Energy: 0.9694661842784167
Energy: 0.8472798209506179
Energy: 0.8085926298806297
Energy: 0.85142758112185
Energy: 0.8080484223751487
Energy: 0.8214191818816876
Energy: 0.8521968947701876
Energy: 0.8510217515129007
Energy: 0.8594778131107211
Energy: 0.8590579131108249
Energy: 0.8605244004893162
Energy: 0.8936961808438313
Energy: 0.8274873134532399
Energy: 0.8526087270901843
Energy: 0.7900557905253371
Energy: 0.8561248348718182
Energy: 0.8999036696119498
Energy: 0.7926127168828004
Energy: 1.0043435300938723
Energy: 0.8936003655870112
Energy: 0.8212940640212185
Energy: 0.8405265171513329
Energy: 0.8788402998382532
Energy: 0.8236691851227247
Energy: 0.779889959360664
Energy: 0.8125473500284529
Energy: 1.051136892489337
Energy: 0.8862155020646888
Energy: 0.7908460622951144
Energy: 1.0238158936109074
Energy: 1.1258596261810034
Energy: 1.0124491514553569
Energy: 0.9574294917520034
Energy: 0.8160970651339337
Energy: 0.82202828350431
Energy: 0.7758782590912557
Energy: 0.960689120863861
Energy: 0.8077768806670832
Energy: 1.328896312737385
Energy: 0.8848664879938722
Energy: 0.8754216129131154
Energy: 1.2798747090631397
Energy: 0.8846313270804148
Energy: 0.9225789828679681

minimum gb energy = 0.7087145944197257 eV
minimum distance =  2.3820229532257 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.363008131422142
Energy: 1.0458831809823677
Energy: 0.9613373713809574
Energy: 1.364883905216604
Energy: 0.9915524643240805
Energy: 0.8564289580677366
Energy: 0.8321067524336189
Energy: 0.8244464087017013
Energy: 0.8670101134926355
Energy: 0.9167167419991685
Energy: 0.8244270059166252
Energy: 0.8872396380080644
Energy: 0.9371647958542709
Energy: 0.813982307793642
Energy: 0.8137801706742095
Energy: 0.9370437498000439
Energy: 0.8559614349423805
Energy: 0.8773781499531739
Energy: 0.8064132802610082
Energy: 0.7800421841045769
Energy: 0.7873175908786593
Energy: 0.8061951658466396
Energy: 0.9347672820427604
Energy: 0.7906320627528137
Energy: 0.7713041116968223
Energy: 0.8259783458533921
Energy: 0.837808714541357
Energy: 0.7627278568095038
Energy: 0.802810147213757
Energy: 0.8377027082633951
Energy: 0.9296979057550318
Energy: 0.8020369929937016
Energy: 0.8377791182128541
Energy: 0.9297556491485681
Energy: 0.7672814434746061
Energy: 0.837711030488737
Energy: 0.7517628494333195
Energy: 0.8154622901268345
Energy: 0.8154306914777462
Energy: 0.7521461435651896
Energy: 0.8155100293972742
Energy: 0.8105696350549563
Energy: 1.1487072021160285
Energy: 0.8326849086125759
Energy: 0.8918541756001411
Energy: 1.1494310928326954
Energy: 0.8283051113530807
Energy: 0.8388856896118454
Energy: 0.8253425696475291
Energy: 0.8120719916982051
Energy: 0.8129098973965152
Energy: 0.8240607871325056
Energy: 1.0697084610134462
Energy: 0.8137248708587577
Energy: 1.1218875526754972
Energy: 0.9608623515496317
Energy: 0.9038345810906053
Energy: 1.1332491716674786
Energy: 0.9923908890882887
Energy: 0.9038155569428493
Energy: 1.0057992531117155
Energy: 0.9672292981474676
Energy: 0.9052889351792865
Energy: 1.0057916931876205
Energy: 0.8095497973535408
Energy: 0.9351272373422509
Energy: 1.0096683204784709
Energy: 0.8609182619233825
Energy: 0.8382074350528457
Energy: 0.7413227982677966
Energy: 1.053958554981782
Energy: 0.8630904029319053
Energy: 1.1610596944388707
Energy: 0.9000569492440809
Energy: 0.8617022675011007
Energy: 0.8381393647229031
Energy: 0.8998771233244298
Energy: 0.8617764970029681
Energy: 0.9538362622299494
Energy: 0.8292858704760411
Energy: 0.8404263847821227
Energy: 0.7607782890397072
Energy: 0.8459997573553392
Energy: 0.8460995313993354
Energy: 0.8934485870848328
Energy: 0.8966048098034898
Energy: 0.8538733010813113
Energy: 0.8936738237118459
Energy: 0.9998436685097631
Energy: 0.853509797706162
Energy: 0.7917607334231646
Energy: 0.8487131202876155
Energy: 0.8074488021643983
Energy: 0.7921544113055478
Energy: 0.8147604126335884
Energy: 0.7591672353058964
Energy: 0.770619651960376
Energy: 0.8483463364800559
Energy: 0.8490549599300633
Energy: 0.7709082118850052
Energy: 0.9976268348441911
Energy: 0.8488496003357977
Energy: 0.8954253368100031
Energy: 0.8732591808578455
Energy: 0.7963649449860903
Energy: 0.9949055070670174
Energy: 0.908996679794382
Energy: 0.8430330968501933
Energy: 1.1298525955363923
Energy: 1.0076549070020335
Energy: 0.8489016417588651
Energy: 1.0014476612918328
Energy: 1.0075543479309856
Energy: 0.8045960093171578
Energy: 0.9660177801957517
Energy: 1.0295172846223437
Energy: 0.9092136581847587
Energy: 0.8679121074675401
Energy: 1.0561796177851366
Energy: 0.87468148525464
Energy: 1.0165067605340228
Energy: 0.9294108227314034
Energy: 0.8471247534841719
Energy: 1.017637250720742
Energy: 0.9066632524879704
Energy: 0.8188176128843371
Energy: 1.006614735606895
Energy: 0.8633576856658001
Energy: 0.8632551440714687
Energy: 1.006705192018841
Energy: 1.2182703298421598
Energy: 0.8635818644386382
Energy: 0.9076376323002087
Energy: 0.7745239495232202
Energy: 0.845523627309846
Energy: 0.9080553845611421
Energy: 0.8856149693472597
Energy: 0.8461425107274145
Energy: 1.082815623855806
Energy: 0.9927626696332926
Energy: 0.870108497625139
Energy: 1.0609230651465922
Energy: 0.9791886954017941
Energy: 0.7900456024267438
Energy: 0.9175544052904112
Energy: 0.7719607783712665
Energy: 0.769528204321379
Energy: 0.9177397937425461
Energy: 0.772346817990214
Energy: 0.7957138678678787
Energy: 0.9259423350890011
Energy: 0.7510778237200796
Energy: 0.817795236276538
Energy: 0.8542129635713143
Energy: 0.7513780045653969
Energy: 0.8397011479140682
Energy: 0.8381848000695712
Energy: 0.8369134190657752
Energy: 0.8503375156655916
Energy: 0.8382223451541077
Energy: 0.941998839775766
Energy: 0.846555409586555
Energy: 0.8617757970334452
Energy: 0.8336394571169216
Energy: 0.7991412506644554
Energy: 0.8623338374369397
Energy: 0.8237935904604523
Energy: 0.8027038434950803
Energy: 1.00928597609525
Energy: 0.8394456428806772
Energy: 0.840224394331094
Energy: 1.0058686728112836
Energy: 1.1486955585194234
Energy: 0.8388386493681325
Energy: 1.026454261917249
Energy: 0.824211913003597
Energy: 0.8475528380519488
Energy: 1.0266387920100513
Energy: 0.7614259017047542
Energy: 0.8122152663476733
Energy: 1.3544418455140588
Energy: 1.111917727606148
Energy: 0.9436080081771874
Energy: 1.354878674323273
Energy: 1.1130084233241389
Energy: 0.9437017067055427

minimum gb energy = 0.7413227982677966 eV
minimum distance =  2.33042459428754 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.1127648155944547
Energy: 0.8763226092066501
Energy: 0.8763276950178502
Energy: 1.114505702158613
Energy: 1.1692737590847548
Energy: 0.8767489712130468
Energy: 0.7277170897661978
Energy: 0.7925585675612485
Energy: 0.8308462430054327
Energy: 0.7921490275638661
Energy: 0.7925431917524366
Energy: 0.8297044368476384
Energy: 0.9763644777445133
Energy: 0.8388034120806053
Energy: 0.7305739833886187
Energy: 0.9766915535337689
Energy: 0.8392401717652636
Energy: 0.7707155063386056
Energy: 0.7946123113924943
Energy: 0.8240852148070738
Energy: 0.7919375218698319
Energy: 0.7920073898512046
Energy: 0.8139956753360122
Energy: 0.7915763202417148
Energy: 0.8499435683300007
Energy: 0.8097550914322318
Energy: 0.8085409331875246
Energy: 0.850282257269108
Energy: 0.8066883949897647
Energy: 0.7838267379126923
Energy: 0.9382124789770888
Energy: 0.8333893722989113
Energy: 0.8064183543637011
Energy: 0.9895281296004087
Energy: 0.7789091442134056
Energy: 0.8061718448948879
Energy: 0.8427138825134182
Energy: 0.7899286918225638
Energy: 0.7899655242961185
Energy: 0.8411970815235412
Energy: 0.7929794150890394
Energy: 0.7899552432177023
Energy: 1.0256156031191044
Energy: 0.7898992331567315
Energy: 0.8985260143462354
Energy: 1.026695373311224
Energy: 0.9075693534689304
Energy: 0.8293344689594967
Energy: 0.8412628251166208
Energy: 0.8302472426664412
Energy: 0.8297714085690134
Energy: 0.8411572135154024
Energy: 0.9178642693426232
Energy: 0.830104191314933
Energy: 1.1315910212526086
Energy: 0.8281716819328682
Energy: 0.8280595245928537
Energy: 1.1315268294577123
Energy: 1.1439779453485865
Energy: 0.797307968220022
Energy: 0.9179012526210203
Energy: 0.7861265681732327
Energy: 0.8325155595002524
Energy: 0.9181268803584788
Energy: 0.772080299106496
Energy: 0.830637022127901
Energy: 0.7290147801359428
Energy: 0.9175452164182357
Energy: 0.8320385169329165
Energy: 0.7304410269643153
Energy: 0.9175109411517106
Energy: 0.8433309591548632
Energy: 0.7317445247561166
Energy: 0.7880655781594051
Energy: 0.8439233974249287
Energy: 0.7290466115674527
Energy: 0.7926652938204872
Energy: 0.8442318023532835
Energy: 0.9174615695996997
Energy: 0.7917191438595453
Energy: 0.8234111535093097
Energy: 0.9174230672682752
Energy: 0.7928204058410805
Energy: 0.8299141532385116
Energy: 0.918800579576025
Energy: 0.8025921692250895
Energy: 0.8287179732342715
Energy: 0.918698797600262
Energy: 1.0571665086103845
Energy: 0.8280265378272688
Energy: 0.7644767371318699
Energy: 0.7797421348757252
Energy: 0.7797092767742145
Energy: 0.7654848728946475
Energy: 0.8381445993515867
Energy: 0.7893735508100137
Energy: 0.8396096419868453
Energy: 0.8247262184375407
Energy: 0.8246052733130996
Energy: 0.7673059787290951
Energy: 0.9994029630519022
Energy: 0.8239019223035586
Energy: 0.840464594676542
Energy: 0.7858339621110739
Energy: 0.8484797044330057
Energy: 0.843354666032315
Energy: 0.7652450472703697
Energy: 0.8241863843171076
Energy: 0.8427264324329822
Energy: 0.7869919159781452
Energy: 0.8513515323117644
Energy: 0.8428378878823138
Energy: 0.7870053651736203
Energy: 0.8284519099961318
Energy: 0.8427101293703939
Energy: 0.9652840043022745
Energy: 0.8462991991413118
Energy: 0.7723368011816988
Energy: 1.0122780939442932
Energy: 0.8466340243057636
Energy: 0.7712795836867457
Energy: 0.8323419513157783
Energy: 0.8325120402138882
Energy: 0.7715574225154723
Energy: 0.7930662301749699
Energy: 0.838132545643343
Energy: 1.1959834689964373
Energy: 0.8278578764381215
Energy: 0.8568744713252744
Energy: 1.196345278642478
Energy: 1.2362337971303095
Energy: 0.8568806985275161
Energy: 0.9172991016395172
Energy: 0.7917610636629828
Energy: 0.8322633565216304
Energy: 0.9173115355314445
Energy: 0.9177339735588441
Energy: 0.8307094642907136
Energy: 0.7321415107913888
Energy: 0.9601431480990027
Energy: 0.8440361065063319
Energy: 0.8113012497578236
Energy: 0.9174877201178101
Energy: 0.8442892650871393

minimum gb energy = 0.7277170897661978 eV
minimum distance =  2.4010112566113 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.2055371092737444
Energy: 0.8838331951415834
Energy: 0.8841849006336154
Energy: 1.2075816077920143
Energy: 1.0607809902780265
Energy: 0.7445068156424612
Energy: 0.7428509372050669
Energy: 0.7983623751977438
Energy: 0.8222715107039569
Energy: 0.8978685767742182
Energy: 0.8082643406560049
Energy: 0.7629740022322856
Energy: 0.9831440357356956
Energy: 0.8031355068621667
Energy: 0.7609743944294978
Energy: 0.9844323970862398
Energy: 0.8033519004130469
Energy: 0.7152953100917154
Energy: 0.8136068369153379
Energy: 0.803026807193583
Energy: 0.7589708830272316
Energy: 0.8136594707753578
Energy: 0.6814210714569533
Energy: 0.8135504291841326
Energy: 0.8146920895384655
Energy: 0.7521071542933822
Energy: 0.7520028289273106
Energy: 0.8139868377284832
Energy: 0.8330261958194011
Energy: 0.7395907017265352
Energy: 1.025658336945111
Energy: 0.695595159123603
Energy: 0.7553062082534578
Energy: 1.0354852506981262
Energy: 0.6953363368478309
Energy: 0.6736350209884999
Energy: 0.7578190585740069
Energy: 0.6919365289824437
Energy: 0.6919519883119578
Energy: 0.75831354085858
Energy: 0.6956543403463376
Energy: 0.7085419248618725
Energy: 0.980178927051837
Energy: 0.717596991699924
Energy: 0.7795298926593857
Energy: 0.9817915506745662
Energy: 0.8437990121911856
Energy: 0.779939244241063
Energy: 0.694316159396716
Energy: 0.7195187080602787
Energy: 0.7660501814203902
Energy: 0.6956754694175334
Energy: 0.7476289959016906
Energy: 0.692089845950869
Energy: 0.6949618018030187
Energy: 0.7196783733763997
Energy: 0.7195784697179168
Energy: 0.6949335930453612
Energy: 0.7195060663053156
Energy: 0.7197847345342184
Energy: 0.9282381315167632
Energy: 0.7396169731455715
Energy: 0.7523835607509092
Energy: 0.9253351074781143
Energy: 0.8670143166339074
Energy: 0.7527531145714735
Energy: 0.8496235965765211
Energy: 0.7816233924620274
Energy: 0.781569517273034
Energy: 0.8441942770089584
Energy: 0.7826845236709573
Energy: 0.7815909935524614
Energy: 0.8548747692213082
Energy: 0.9034695231126504
Energy: 0.8052120013233128
Energy: 0.7655549024767553
Energy: 0.9714560614932994
Energy: 0.8072921134571721
Energy: 0.8367618290870601
Energy: 0.8107456598186861
Energy: 0.8119517548093386
Energy: 0.8365373934530291
Energy: 0.8982670009126097
Energy: 0.8399190929544078
Energy: 1.0618248856204175
Energy: 0.8949973525552916
Energy: 0.7829198248236765
Energy: 1.062079135897149
Energy: 0.7829585399644133
Energy: 0.7844554225854862
Energy: 1.0217648425464838
Energy: 0.8071749242951847
Energy: 0.7791819514428223
Energy: 1.023133181037988
Energy: 0.8078925615591211
Energy: 0.8050396445763592
Energy: 0.9690759548187236
Energy: 0.8848921886568737
Energy: 0.8508982889116012
Energy: 0.9261533772435778
Energy: 0.8857517419045254
Energy: 0.8509795376597528

minimum gb energy = 0.6736350209884999 eV
minimum distance =  2.38033677014079 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.2505726369349959
Energy: 0.8502489914039794
Energy: 0.7193948068461746
Energy: 1.2527407967732553
Energy: 0.9842485718319002
Energy: 0.781988132036401
Energy: 0.9848709257773585
Energy: 0.841204381375124
Energy: 0.7974730643687231
Energy: 0.9577402857128663
Energy: 0.8910481915710142
Energy: 0.815920437605111
Energy: 0.9176949237371772
Energy: 0.7111839555313558
Energy: 0.7572102745784333
Energy: 0.9186480853324756
Energy: 0.7979203553437632
Energy: 0.7266002745120361
Energy: 0.7876642678161585
Energy: 0.75776184399911
Energy: 0.7262169058624001
Energy: 0.7873099724166117
Energy: 0.6385254817783572
Energy: 0.6931721761864363
Energy: 0.7836316531279968
Energy: 0.6971551075582708
Energy: 0.7271937850355357
Energy: 0.7838846115758868
Energy: 0.891423243524538
Energy: 0.7191217753878222
Energy: 1.0951854993104557
Energy: 0.6649843116390466
Energy: 0.6755397199555383
Energy: 1.0980841056554254
Energy: 0.6647418025693494
Energy: 0.7111218145318726
Energy: 0.6767380002302475
Energy: 0.7059054884973153
Energy: 0.6633582797677979
Energy: 0.6766918635762963
Energy: 0.6660338348267542
Energy: 0.6738361555800418
Energy: 0.901907929490098
Energy: 0.6525607382157745
Energy: 0.686864432180628
Energy: 0.7689752803813997
Energy: 0.6484130149219728
Energy: 0.7083740320871278
Energy: 0.6247509707560588
Energy: 0.7077583025137677
Energy: 0.686342771882459
Energy: 0.6259055599345318
Energy: 0.7811439234644267
Energy: 0.6246734885218812
Energy: 0.629751745629299
Energy: 0.6870154819656208
Energy: 0.6894142019690387
Energy: 0.6261971664988055
Energy: 0.6810894058089798
Energy: 0.7082786572336339
Energy: 0.8198777633444078
Energy: 0.6267979820761901
Energy: 0.7250804093144553
Energy: 0.796612247015355
Energy: 0.6265707066232477
Energy: 0.6579974096136866
Energy: 0.8171596747007714
Energy: 0.6247602384216495
Energy: 0.6246820281474572
Energy: 0.8183806160799041
Energy: 0.6285417590794732
Energy: 0.6861300171757835
Energy: 0.7225968966225272
Energy: 0.6578694022507732
Energy: 0.6851282144274541
Energy: 0.6811561579783271
Energy: 0.898315017104802
Energy: 0.6858486864998746
Energy: 0.6642164464963461
Energy: 0.6752521812810492
Energy: 0.6657753536728478
Energy: 0.6639594824325653
Energy: 0.6797654440606318
Energy: 0.6639813550733557
Energy: 0.6646917154925716
Energy: 0.7246160095977533
Energy: 0.7604111873124993
Energy: 0.6648635058485067
Energy: 0.9345125998330658
Energy: 0.7357474463853729
Energy: 0.87775998197799
Energy: 0.8246649028850883
Energy: 0.7075102797765583
Energy: 0.791726425976479
Energy: 0.8245237813025468
Energy: 0.7283653289813464
Energy: 0.6761298311555678
Energy: 0.75837476529177
Energy: 0.758236348508047
Energy: 0.6769024997901947
Energy: 0.7582970033157727
Energy: 0.6970042337124625
Energy: 0.676543993711385
Energy: 0.8236368293341872
Energy: 0.7905537581691484
Energy: 0.6771625807072035
Energy: 0.9235917031771252
Energy: 0.7051113961835166
Energy: 0.9137171208094962
Energy: 0.7586022328385251
Energy: 0.7062024485143968
Energy: 0.9138314290981332
Energy: 0.8147561612116998
Energy: 0.7989866577009999
Energy: 1.0488910251009533
Energy: 0.7859960952431726
Energy: 0.7554120167420326
Energy: 1.048908349307816
Energy: 0.950287088735008
Energy: 0.8421099793070407
Energy: 0.9577193773434355
Energy: 0.8901696855373077
Energy: 0.7731925072494369
Energy: 0.9589332706970689
Energy: 0.9572783480450792
Energy: 0.7741531872723233
Energy: 0.8605819789475115
Energy: 0.8370206980452323
Energy: 0.8211377556335299
Energy: 0.8250724778632594
Energy: 0.9146902822189149
Energy: 0.7269420509210821
Energy: 0.7423487014013486
Energy: 0.7871089596095793
Energy: 0.7743989388655826
Energy: 0.7421828347047383
Energy: 0.8074318539561659
Energy: 0.8207379163175603
Energy: 0.9338122095962192
Energy: 0.8696113595866598
Energy: 0.7909370473725644
Energy: 0.9326595156063106
Energy: 0.6342809571793938
Energy: 0.7910608263454184
Energy: 0.7574648693310889
Energy: 0.7111694532038058
Energy: 0.7573353453294855
Energy: 0.7577260523104746
Energy: 0.711592976292835
Energy: 0.7266954453790246
Energy: 0.7827748702626568
Energy: 0.6968532939343404
Energy: 0.6959103700742502
Energy: 0.783864299889232
Energy: 0.8091050302526676
Energy: 0.7821558070283512
Energy: 1.0970757745269664
Energy: 0.7178653148885398
Energy: 0.7352185106867746
Energy: 0.7117313651237744
Energy: 0.8618243036222759
Energy: 0.7110934274813578
Energy: 0.9000813054495616
Energy: 0.6635783760602277
Energy: 0.6638830286326854
Energy: 0.7869513782212113
Energy: 0.6654127767477296
Energy: 0.6639974989752154
Energy: 0.8866613943418513
Energy: 0.7163044116466877
Energy: 0.7144265625837678
Energy: 0.8875606418148897
Energy: 0.7057013180044075
Energy: 0.6789398503947079
Energy: 0.6271403309735447
Energy: 0.7023576175465652
Energy: 0.7077083556234794
Energy: 0.6271904962689262
Energy: 0.7022959847193746
Energy: 0.7413349564271018
Energy: 0.6302046337318372
Energy: 0.6851898983943611
Energy: 0.697422378534957
Energy: 0.6312602294600111
Energy: 0.7329150475473509
Energy: 0.6472072018629911
Energy: 0.9458914357027435
Energy: 0.7097601869261457
Energy: 0.6557173989986579
Energy: 0.9457945273665268
Energy: 0.6264148855171793
Energy: 0.6551103055370384
Energy: 0.7808036782465926
Energy: 0.6291844079390662
Energy: 0.6246220632339072
Energy: 0.7814693741586297
Energy: 0.6251012380668005
Energy: 0.6244390074614747
Energy: 1.0392970784214681
Energy: 0.65007920896227
Energy: 0.6824801574011586
Energy: 1.0413757659551555
Energy: 0.6272378539036803
Energy: 0.7400125765689272
Energy: 0.6698303990088038
Energy: 0.6754540299446087
Energy: 0.6747877348804083
Energy: 0.6703009187553622
Energy: 0.6775135111158105
Energy: 0.6756937600026667
Energy: 0.6712189715461078
Energy: 0.7071424416187959
Energy: 0.735231406906807
Energy: 0.6638239942588197
Energy: 0.7068443905953868
Energy: 0.6644643964665485
Energy: 0.8878400229795186
Energy: 0.7209818446289182
Energy: 0.7203844363726744
Energy: 0.889198894912102
Energy: 0.7167570204901078
Energy: 0.7257185709232885
Energy: 0.6784127646189408
Energy: 0.7578199113758547
Energy: 0.7833068428884075
Energy: 0.6709105490173723
Energy: 0.7593862960469209
Energy: 0.7573683137638054
Energy: 1.17430100123101
Energy: 0.8596562941524372
Energy: 0.7582670982034093
Energy: 0.9480372649169059
Energy: 0.9224009021918569
Energy: 0.7879149027355438
Energy: 0.915158814860536
Energy: 0.7803619689149792
Energy: 0.7743574306220818
Energy: 0.9163835973392267
Energy: 0.8434998174256458
Energy: 0.8127883375823017
Energy: 0.8541057508343961
Energy: 0.7351484480503256
Energy: 0.8085642639972587
Energy: 0.8494942583957825
Energy: 0.7351535454117304
Energy: 0.7584894193957181
Energy: 0.9555639804309175
Energy: 0.6740836490281618
Energy: 0.7904360767346097
Energy: 0.9567629203249068
Energy: 0.7771870199878211
Energy: 0.7740365035613477
Energy: 0.7419839922794011
Energy: 0.8514034174656254
Energy: 0.7730000974291631
Energy: 0.7424639622848538
Energy: 0.8711776961498157
Energy: 0.8206308852286641

minimum gb energy = 0.6244390074614747 eV
minimum distance =  2.36399487209291 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.127884130455545
Energy: 0.8058875322703962
Energy: 0.6909252688279107
Energy: 1.129328864464583
Energy: 0.9171964161661915
Energy: 0.7393572154463002
Energy: 0.9166750734029898
Energy: 0.7692782338234713
Energy: 0.7579671479721987
Energy: 0.9104369144659468
Energy: 0.8632144162817013
Energy: 0.7759365008658249
Energy: 0.8586276740352023
Energy: 0.6697023703738086
Energy: 0.682087337196382
Energy: 0.8601063172415927
Energy: 0.7432690353970663
Energy: 0.6939257797477153
Energy: 0.7530183737138485
Energy: 0.671528481379681
Energy: 0.6940933088063559
Energy: 0.7519026057819339
Energy: 0.7357929962465113
Energy: 0.6688560559826512
Energy: 0.736480570710882
Energy: 0.6689221077784778
Energy: 0.6931594019896608
Energy: 0.7377649972645962
Energy: 0.8397481900956368
Energy: 0.6949315824778746
Energy: 1.0210201962993395
Energy: 0.6392015922773209
Energy: 0.6425734049623464
Energy: 1.0234743283392604
Energy: 0.6390832766991954
Energy: 0.6704035986435046
Energy: 0.8112106422182986
Energy: 0.6791176626647258
Energy: 0.684374024429825
Energy: 0.8125923991499057
Energy: 0.6775372047314032
Energy: 0.6385216863281926
Energy: 0.822464600495795
Energy: 0.6492421357904812
Energy: 0.6594397008625361
Energy: 0.780751139714067
Energy: 0.6485031903038787
Energy: 0.6686341342032042
Energy: 0.5951726065716241
Energy: 0.7570578977249209
Energy: 0.5932626291957829
Energy: 0.5961266633738724
Energy: 0.796236390800191
Energy: 0.592951544785951
Energy: 0.5972744032516075
Energy: 0.6866332221380397
Energy: 0.6628547532797348
Energy: 0.5975419029369996
Energy: 0.666376588235913
Energy: 0.6655314882106835
Energy: 0.9383416434453663
Energy: 0.5737457807168579
Energy: 0.6814217499528522
Energy: 0.800256868123001
Energy: 0.5850928898462732
Energy: 0.6688799095662384
Energy: 0.7888843448377009
Energy: 0.5783570038525094
Energy: 0.5719298047501077
Energy: 0.7728995380180438
Energy: 0.5759265634261391
Energy: 0.6641684678788476
Energy: 0.5753591826066747
Energy: 0.6644372822378429
Energy: 0.6454777183012542
Energy: 0.5767130990657486
Energy: 0.6411259367701531
Energy: 0.7334189929510265
Energy: 0.5726575070694601
Energy: 0.6522869457835179
Energy: 0.6391277116109074
Energy: 0.5735565395973002
Energy: 0.7754266664613474
Energy: 0.5718754474112316
Energy: 0.5732032552007108
Energy: 0.6476634378152982
Energy: 0.6596239928421748
Energy: 0.5734204980068514
Energy: 0.6246413717642713
Energy: 0.6474663858312588
Energy: 0.8075419156435489
Energy: 0.5950119451143018
Energy: 0.6466525072117651
Energy: 0.7026530194047211
Energy: 0.6051521189697854
Energy: 0.6222183328703016
Energy: 0.7166128046514625
Energy: 0.6017527058895941
Energy: 0.592798232884172
Energy: 0.7160959708096466
Energy: 0.5987451640300416
Energy: 0.6461016255515968
Energy: 0.6585391972311836
Energy: 0.6133742982604357
Energy: 0.6417479532212794
Energy: 0.6585419929067644
Energy: 0.8289228958326613
Energy: 0.6448831454016171
Energy: 0.6393627662683043
Energy: 0.629297546923215
Energy: 0.6390996182352399
Energy: 0.6406533795756866
Energy: 0.7536349187727942
Energy: 0.6391522231272754
Energy: 0.8128855862540103
Energy: 0.6972228210128159
Energy: 0.7034780342369131
Energy: 0.8144717421693015
Energy: 0.6598866546540223
Energy: 0.711360532945116
Energy: 0.8639584722973239
Energy: 0.7885616346870638
Energy: 0.7089044576420598
Energy: 0.7495415244636544
Energy: 0.7874151357856906
Energy: 0.6856515200046142
Energy: 0.6768210301573683
Energy: 0.7264015317199966
Energy: 0.6392890612705422
Energy: 0.6767801851213692
Energy: 0.7353165135928819
Energy: 0.6660743458959171
Energy: 0.6962334551313797
Energy: 0.7834012191523173
Energy: 0.7265112608360131
Energy: 0.6941873110851047
Energy: 0.8640993050621012
Energy: 0.7511742882486415
Energy: 0.8615388107623672
Energy: 0.6599546349077398
Energy: 0.6700620392622403
Energy: 0.8632304126161886
Energy: 0.8568884586744029
Energy: 0.7576197442000394
Energy: 0.8595428876777299
Energy: 0.6941915438502994
Energy: 0.6945556964620644
Energy: 0.8601487558578924
Energy: 0.6944472395994012
Energy: 0.750948989787759
Energy: 0.8965916720460958
Energy: 0.8460489479329854
Energy: 0.72728062740475
Energy: 0.8973733085750605
Energy: 0.8988242145898094
Energy: 0.7264163477575748
Energy: 1.1300221860592252
Energy: 0.7920987024014424
Energy: 0.6941481611031037
Energy: 0.9164875946109864
Energy: 0.8609505518949586
Energy: 0.7181594974851947

minimum gb energy = 0.5718754474112316 eV
minimum distance =  2.37456679730489 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.0489659884632685
Energy: 0.7044828265234439
Energy: 0.6157768261518929
Energy: 1.0506063254342755
Energy: 0.7718815906320049
Energy: 0.6146259646388732
Energy: 0.7600106435045736
Energy: 0.6384587383943361
Energy: 0.6382619002558004
Energy: 0.7576631372883811
Energy: 0.7383684656250952
Energy: 0.5650152989648909
Energy: 0.7330030187664315
Energy: 0.5683335584701966
Energy: 0.5759341138209857
Energy: 0.7344567237294783
Energy: 0.6245640399847298
Energy: 0.5580667600214331
Energy: 0.6501065946983151
Energy: 0.5737200423179304
Energy: 0.5583073131344631
Energy: 0.6500602211063068
Energy: 0.6220775543907642
Energy: 0.5899963082398041
Energy: 0.638089974583321
Energy: 0.5823292756188009
Energy: 0.5680688526995513
Energy: 0.6380339381733496
Energy: 0.7048553353592927
Energy: 0.5563077812533177
Energy: 0.9722939630117466
Energy: 0.5641378350258374
Energy: 0.5564835468825345
Energy: 0.9741696436430008
Energy: 0.5639369664425461
Energy: 0.5335777473444488
Energy: 0.7003319249564846
Energy: 0.5918455665199982
Energy: 0.5918581830018737
Energy: 0.7016739876449586
Energy: 0.5965604413289389
Energy: 0.6033561518603843
Energy: 0.6738840412953235
Energy: 0.565317495636785
Energy: 0.5490984859636557
Energy: 0.6750648738774357
Energy: 0.5401541924061665
Energy: 0.5491543564979023
Energy: 0.526561767523043
Energy: 0.5488512449260694
Energy: 0.524410181520022
Energy: 0.5280438530219698
Energy: 0.6657205886600895
Energy: 0.5243964507314022
Energy: 0.5856475688418762
Energy: 0.5435471475238804
Energy: 0.5365972724929137
Energy: 0.5244830615015518
Energy: 0.5626707071745496
Energy: 0.5335363783785293
Energy: 0.7607799945952435
Energy: 0.49943105603364035
Energy: 0.5803977717980667
Energy: 0.5713677445236571
Energy: 0.4993711756998645
Energy: 0.5374631334422678
Energy: 0.6707922995716383
Energy: 0.5001298583297351
Energy: 0.4996271525346137
Energy: 0.6628228576563289
Energy: 0.5020944553802931
Energy: 0.5774054804578796
Energy: 0.6486464552697895
Energy: 0.5369198449770463
Energy: 0.560989426637437
Energy: 0.6500037566211484
Energy: 0.5537466180678314
Energy: 0.5606885094201542
Energy: 0.48513717578083215
Energy: 0.6800510850482253
Energy: 0.48517405823517984
Energy: 0.4865242657134731
Energy: 0.6535835033619899
Energy: 0.4853677323383519
Energy: 0.4874284153048982
Energy: 0.5522810089131359
Energy: 0.5335641130463068
Energy: 0.4875837961166724
Energy: 0.5526167286075501
Energy: 0.5450525755124436
Energy: 0.5430935559073402
Energy: 0.479434906512891
Energy: 0.47933964556493025
Energy: 0.5437855383950816
Energy: 0.4793290647765752
Energy: 0.5540746136133907
Energy: 0.6651707419402837
Energy: 0.48026516280629394
Energy: 0.4802264537532652
Energy: 0.6624212741271074
Energy: 0.48022549620190613
Energy: 0.5612209138939345
Energy: 0.6395258374360048
Energy: 0.5877095909182
Energy: 0.5853251838640051
Energy: 0.5645016717888258
Energy: 0.6925310664491992
Energy: 0.5005311832142939
Energy: 0.47838127421787063
Energy: 0.5952420340488872
Energy: 0.4784659256908291
Energy: 0.4791568990291187
Energy: 0.6543384865932763
Energy: 0.4784793935872477
Energy: 0.6414415877065777
Energy: 0.5842941732388556
Energy: 0.5890681125449327
Energy: 0.6430097294761056
Energy: 0.5364197203046805
Energy: 0.5503782011310259
Energy: 0.654857930729444
Energy: 0.48792875071249026
Energy: 0.4877444440698955
Energy: 0.6686824411165769
Energy: 0.487897596227669
Energy: 0.5535508146110236
Energy: 0.5417466527035536
Energy: 0.48550870184587397
Energy: 0.48554893311771896
Energy: 0.5423133859825356
Energy: 0.48540341862966374
Energy: 0.5577173520811295
Energy: 0.5843242147821532
Energy: 0.5372463715154362
Energy: 0.5334577646459574
Energy: 0.501775599757978
Energy: 0.6422728804135106
Energy: 0.5320614030168501
Energy: 0.4997738638437625
Energy: 0.664579680783535
Energy: 0.4994056292016588
Energy: 0.501287103639989
Energy: 0.6596600720147934
Energy: 0.4996165294044662
Energy: 0.6579235953960274
Energy: 0.539022507629428
Energy: 0.5438032120480416
Energy: 0.6594372636376615
Energy: 0.556337797456859
Energy: 0.5434856288063828
Energy: 0.6736162951717031
Energy: 0.5244397522774786
Energy: 0.5245847983866957
Energy: 0.6752300141298847
Energy: 0.524581724402894
Energy: 0.5295598354521617
Energy: 0.7936087477588711
Energy: 0.5238615378243874
Energy: 0.5637425165537552
Energy: 0.5675738409151749
Energy: 0.5238485955123537
Energy: 0.5443659333494022
Energy: 0.5532821393196403
Energy: 0.5607263087689135
Energy: 0.5622313051708512
Energy: 0.5665810660950105
Energy: 0.6441308353193618
Energy: 0.5544341848082356
Energy: 0.5676218649043041
Energy: 0.5611417831245362
Energy: 0.5651534062503183
Energy: 0.5686377830355961
Energy: 0.6784329539530574
Energy: 0.5653150578761945
Energy: 0.6967397802445001
Energy: 0.5822323633616284
Energy: 0.5614995439583125
Energy: 0.6980994887520565
Energy: 0.553770964424
Energy: 0.5612607098304746
Energy: 0.7115916587942788
Energy: 0.6760055893219042
Energy: 0.676126131439395
Energy: 0.7110689754070109
Energy: 0.6809507086190161
Energy: 0.6885574682212188
Energy: 1.011371620998748
Energy: 0.6330490053640478
Energy: 0.574768388778044
Energy: 1.0130907058138046
Energy: 0.6329643952316557
Energy: 0.5495910548100114
Energy: 0.6541705701425472
Energy: 0.6331150462099547
Energy: 0.6234822663806403
Energy: 0.6548125523578474
Energy: 0.7315828752640288
Energy: 0.6250326139483209
Energy: 0.7350729872991629
Energy: 0.593937320901949
Energy: 0.5659617497496221
Energy: 0.643730531256195
Energy: 0.650432482981885
Energy: 0.6340758768877244
Energy: 0.7331424614286972
Energy: 0.5817902801668342
Energy: 0.5847659871847806
Energy: 0.7345288367868285
Energy: 0.6355119951562085
Energy: 0.590317215293472
Energy: 0.7600106718325754
Energy: 0.623247094314936
Energy: 0.6235944704591175
Energy: 0.7591015151639515
Energy: 0.7595036380122803
Energy: 0.6249082045925641

minimum gb energy = 0.47838127421787063 eV
minimum distance =  2.3539090301671 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.035430963669557496
Energy: 0.06727064895038773
Energy: 0.03616407288408685
Energy: 0.0375050200881047
Energy: 0.06689491774681565
Energy: 0.035863721223927836
Energy: 0.06839881018230921
Energy: 0.03605889721404868
Energy: 0.03604895196542414
Energy: 0.03617170149592013
Energy: 0.03706461576257292
Energy: 0.03626334961901962
Energy: 0.4343515145231872
Energy: 0.03581895615935669
Energy: 0.03621002561869149
Energy: 0.42819321402950045
Energy: 0.035928415175729415
Energy: 0.06753801127103312
Energy: 0.03850480098323283
Energy: 0.035953732251699434
Energy: 0.03599987263917245
Energy: 0.03685805913858141
Energy: 0.03588117595151192
Energy: 0.06807143101239863
Energy: 0.06764636882926116
Energy: 0.06690823287062728
Energy: 0.06699890566599148
Energy: 0.06856524870116382
Energy: 0.4313268559186278
Energy: 0.0669962542205528
Energy: 0.03646502830710614
Energy: 0.0879495836138244
Energy: 0.03619058259842709
Energy: 0.037663479731876476
Energy: 0.03628633563254314
Energy: 0.03592486121672909
Energy: 0.03607370383854984
Energy: 0.03603007000146762
Energy: 0.036133912251620014
Energy: 0.036268908621423505
Energy: 0.03700227749883434
Energy: 0.03613607387133129
Energy: 0.06707269632444184
Energy: 0.035946850796318895
Energy: 0.03599277961734197
Energy: 0.0669938011617888
Energy: 0.03575951450275014
Energy: 0.06764194200377315
Energy: 0.03663178523285453
Energy: 0.03601558616466746
Energy: 0.06964319671956386
Energy: 0.03805097543208117
Energy: 0.0359002022436672
Energy: 0.06923125244262163
Energy: 0.0361402400591386
Energy: 0.06680268315885535
Energy: 0.06683300478224667
Energy: 0.03602991875060152
Energy: 0.43113227205489146
Energy: 0.06710570649734142

minimum gb energy = 0.035430963669557496 eV
minimum distance =  2.53081295302236 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.0965587458862482
Energy: 0.6247509984801519
Energy: 0.6627822339643855
Energy: 1.0969708234586324
Energy: 0.5975773148174179
Energy: 0.6035371461380091
Energy: 0.6504557510344497
Energy: 0.6312713427241499
Energy: 0.6310250613297559
Energy: 0.654857069422051
Energy: 0.6545407181537347
Energy: 0.6434843361230569
Energy: 0.6590642926692997
Energy: 0.60410300343055
Energy: 0.6036790618356482
Energy: 0.6596734022203887
Energy: 0.6037778521581159
Energy: 0.6248816296067612
Energy: 0.6258334030475724
Energy: 0.6030706905810475
Energy: 0.6028566020128703
Energy: 0.6259551986294447
Energy: 0.5475917314316741
Energy: 0.6410185609552608
Energy: 0.53547414433069
Energy: 0.631067063240178
Energy: 0.6467291519667556
Energy: 0.5344057287599993
Energy: 0.654607265516746
Energy: 0.6449273963438817
Energy: 1.040193091857201
Energy: 0.6152962045961226
Energy: 0.6581514493276966
Energy: 0.6210264883485227
Energy: 0.6156225025067936
Energy: 0.5807584888307242
Energy: 0.6300226497023008
Energy: 0.6191786722741682
Energy: 0.6130286342717555
Energy: 0.6293036060248156
Energy: 0.6065879334217688
Energy: 0.6521668838922465
Energy: 0.6287425202084715
Energy: 0.5848679544780699
Energy: 0.5845769681323227
Energy: 0.6245013203889987
Energy: 0.5558696077671873
Energy: 0.5737990619468826
Energy: 0.650120108033245
Energy: 0.5842488119097539
Energy: 0.6190312121179493
Energy: 0.6511789342891893
Energy: 0.5152740041209861
Energy: 0.6192347648881031
Energy: 0.6038406490050579
Energy: 0.5410248566057194
Energy: 0.5587197316749368
Energy: 0.6038905266332149
Energy: 0.5406319246046696
Energy: 0.5396047230346669
Energy: 0.6153742026329686
Energy: 0.594202801417543
Energy: 0.5880644704441638
Energy: 0.5619336356151101
Energy: 0.6051682858411231
Energy: 0.5620877318937347
Energy: 0.5051828518417564
Energy: 0.6019927913952521
Energy: 0.6046656413987452
Energy: 0.5057394502870767
Energy: 0.5939870844658764
Energy: 0.5031916563279482
Energy: 0.5465276109278072
Energy: 0.5485745077563905
Energy: 0.5663790266387517
Energy: 0.5461280223200156
Energy: 0.5484236347105825
Energy: 0.5370415964434874
Energy: 0.7007848479069241
Energy: 0.5517504603937635
Energy: 0.5712618427817145
Energy: 0.6282911081413483
Energy: 0.49740046335016863
Energy: 0.5697383986179771
Energy: 0.5978359998070024
Energy: 0.5100415204594281
Energy: 0.5100466140829432
Energy: 0.5989578458271478
Energy: 0.5124774602696803
Energy: 0.5096324118653405
Energy: 0.6089977044891925
Energy: 0.5549518377698185
Energy: 0.5515045913292286
Energy: 0.5959301200893237
Energy: 0.6070870773667952
Energy: 0.5521410802151469
Energy: 0.4853750013154674
Energy: 0.5579116724182939
Energy: 0.563151503490666
Energy: 0.4856110681064258
Energy: 0.5595349615509082
Energy: 0.48541027805556175
Energy: 0.5117657048816432
Energy: 0.5494723468702712
Energy: 0.5557443117104043
Energy: 0.5115420195180991
Energy: 0.549452561679275
Energy: 0.593619447684732
Energy: 0.8028092360167876
Energy: 0.6109496400338503
Energy: 0.5496296501542454
Energy: 0.8039398824799102
Energy: 0.604822038591911
Energy: 0.55644242496912
Energy: 0.599927821976639
Energy: 0.4978923790567281
Energy: 0.48704505332935405
Energy: 0.6013597618170045
Energy: 0.5012763242615842
Energy: 0.48535439523395196
Energy: 0.5997249745439304
Energy: 0.5549653993240755
Energy: 0.5540984475946568
Energy: 0.6001012023324647
Energy: 0.5647613891120391
Energy: 0.5561848231182708
Energy: 0.5126748537029664
Energy: 0.5502590129212106
Energy: 0.5226218048987835
Energy: 0.5136400444876672
Energy: 0.6270708208787611
Energy: 0.5099618299983139
Energy: 0.483775022043626
Energy: 0.5931697971205872
Energy: 0.5955344825115888
Energy: 0.4925705479434458
Energy: 0.7073703867928888
Energy: 0.596934132409373
Energy: 0.9064977839481829
Energy: 0.5462489382616366
Energy: 0.5246701664133794
Energy: 0.9071273716292708
Energy: 0.5462544093286918
Energy: 0.5343022665302952
Energy: 0.5806201272460626
Energy: 0.5044335695572649
Energy: 0.5049583468306826
Energy: 0.5809715804767478
Energy: 0.5050542990490402
Energy: 0.5032486124585068
Energy: 0.6362320380964485
Energy: 0.5759054799879582
Energy: 0.5757890823468561
Energy: 0.6054191791042586
Energy: 0.551393714084942
Energy: 0.5879223660965962
Energy: 0.5793040893718556
Energy: 0.5759646407589321
Energy: 0.5522578361566904
Energy: 0.5804036821467815
Energy: 0.630739767416177
Energy: 0.5588453577168787
Energy: 0.5161453493127147
Energy: 0.6510829724822048
Energy: 0.6500366526453776
Energy: 0.5161400115957263
Energy: 0.6521769445404465
Energy: 0.6498334883188913
Energy: 0.9908685917240527
Energy: 0.6480921054933184
Energy: 0.5795886858578043
Energy: 0.5664196390001212
Energy: 0.647942455306997
Energy: 0.5535687541835946
Energy: 0.5645568854490896
Energy: 0.629531300187554
Energy: 0.5982348746766105
Energy: 0.565035883748248
Energy: 0.6318113238438418
Energy: 0.5974982491997697
Energy: 0.6226916117326307
Energy: 0.5913594552550856
Energy: 0.5912822894082804
Energy: 0.6232998165349922
Energy: 0.5594217361311579
Energy: 0.5963961261602918
Energy: 0.6880376140681571
Energy: 0.5910959752500643
Energy: 0.6367447651758554
Energy: 0.6886582923613249
Energy: 0.5146049409021407
Energy: 0.6584202027493768
Energy: 0.5485527226359375
Energy: 0.6251684413616183
Energy: 0.625085961650102
Energy: 0.548622993273829
Energy: 0.62577296925261
Energy: 0.5991628335401887

minimum gb energy = 0.483775022043626 eV
minimum distance =  2.35575856493343 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.0754946597675263
Energy: 0.7401022252818005
Energy: 0.7899055050902484
Energy: 1.0770016212511622
Energy: 0.7418816582322706
Energy: 0.7761410920144427
Energy: 0.7241754829151272
Energy: 0.7465014273668908
Energy: 0.7400689169405142
Energy: 0.7759204359076686
Energy: 0.7790786477387611
Energy: 0.7607620098742213
Energy: 0.8372581429837623
Energy: 0.726800627209195
Energy: 0.7558380878748082
Energy: 0.7790679860013754
Energy: 0.723531157671124
Energy: 0.7552874818604456
Energy: 0.7292846649675995
Energy: 0.7581981176797454
Energy: 0.7583143099275855
Energy: 0.7305485773957389
Energy: 0.7001327329180799
Energy: 0.7604928477557769
Energy: 0.6794740135204218
Energy: 0.7458280381303609
Energy: 0.7664773484115098
Energy: 0.6794758130948566
Energy: 0.7769797846162854
Energy: 0.771347997382828
Energy: 1.0097454056305795
Energy: 0.7692681186167585
Energy: 0.7736559931500872
Energy: 1.0131603993222134
Energy: 0.769390942523375
Energy: 0.7425269299817797
Energy: 0.6844398468396733
Energy: 0.8012596887213946
Energy: 0.772953211467044
Energy: 0.6823684794695398
Energy: 0.785918916641484
Energy: 0.7206908358117932
Energy: 0.7335293165427839
Energy: 0.7100581106991426
Energy: 0.6628521128378403
Energy: 0.734225607397815
Energy: 0.6959399364454155
Energy: 0.7211697993744809
Energy: 0.7567200346992901
Energy: 0.7766679193532565
Energy: 0.733343330449305
Energy: 0.7504970577858608
Energy: 0.6363227274750486
Energy: 0.7707503120856624
Energy: 0.7449708858040212
Energy: 0.6404261495851413
Energy: 0.6390796184437
Energy: 0.7458471948269345
Energy: 0.6528864682660384
Energy: 0.6461955077387601
Energy: 0.7522098239717742
Energy: 0.7849995581613203
Energy: 0.7443904681991436
Energy: 0.6960697701811392
Energy: 0.7540141096821924
Energy: 0.7452842589609073
Energy: 0.6222893175843635
Energy: 0.7123217998678454
Energy: 0.7354756453747182
Energy: 0.6226057052140189
Energy: 0.7538849960849864
Energy: 0.6158966060566781
Energy: 0.6202287154723256
Energy: 0.725441904037241
Energy: 0.6747779266164395
Energy: 0.6201702140937932
Energy: 0.7216980500791357
Energy: 0.6161997679324753
Energy: 0.9040700971659142
Energy: 0.7517631750113123
Energy: 0.7229027066500797
Energy: 0.790285406710529
Energy: 0.7314833327899767
Energy: 0.7223301156460273
Energy: 0.7309671913529622
Energy: 0.6199804175571114
Energy: 0.6154911483065242
Energy: 0.732224252904558
Energy: 0.6173188852613776
Energy: 0.6762884614106773
Energy: 0.7385839926027017
Energy: 0.7220249916619752
Energy: 0.7189657106135521
Energy: 0.7344309050633998
Energy: 0.6766872142333653
Energy: 0.7167992185377332
Energy: 0.65620162412507
Energy: 0.6931264630452924
Energy: 0.6611909142440452
Energy: 0.6570295679390177
Energy: 0.6977290351831273
Energy: 0.6560549007865397
Energy: 0.6374685758574552
Energy: 0.7618462050617463
Energy: 0.754462970429928
Energy: 0.6357019122097407
Energy: 0.7802297569910702
Energy: 0.721789043632504
Energy: 0.9519994689378252
Energy: 0.7922421758121196
Energy: 0.7307661712475227
Energy: 0.9278780577404447
Energy: 0.806977418679665
Energy: 0.7647440996135948
Energy: 0.6354061160127965
Energy: 0.6849912991007112
Energy: 0.7292967685874249
Energy: 0.6360895184939983
Energy: 0.6836522762247926
Energy: 0.7321511101131782
Energy: 0.7521026620496988
Energy: 0.7835293942319379
Energy: 0.763781005087316
Energy: 0.7534199955046026
Energy: 0.7119526755210996
Energy: 0.7602334287790873
Energy: 0.8378828845955053
Energy: 0.7022262321873449
Energy: 0.7519626098764869
Energy: 0.7786692121801579
Energy: 0.7024819165299765
Energy: 0.759652246946693
Energy: 0.7245915363656275
Energy: 0.762159554692218
Energy: 0.7415387728185484
Energy: 0.7146163322015586
Energy: 0.7589964565346178
Energy: 0.7617888911602015

minimum gb energy = 0.6154911483065242 eV
minimum distance =  2.34295951543649 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.2096254253605132
Energy: 0.9554173755253362
Energy: 1.0162819989282186
Energy: 1.2118633332706055
Energy: 0.914948039402235
Energy: 0.9110062992355671
Energy: 0.7786283947146462
Energy: 0.8113439802550111
Energy: 0.8115144500067071
Energy: 0.8739217534895779
Energy: 0.8764687650803004
Energy: 0.8364391672620031
Energy: 0.9099196445560053
Energy: 0.8549157416337317
Energy: 0.8537486468815533
Energy: 0.9108972105820545
Energy: 0.8553546627966442
Energy: 0.8891146449860704
Energy: 0.7671822247348674
Energy: 0.8737447975548177
Energy: 0.8700107364061556
Energy: 0.7685485233331691
Energy: 0.7531033155687766
Energy: 0.8523932147416915
Energy: 0.7477653415661074
Energy: 0.8402548686096198
Energy: 0.8397200715724265
Energy: 0.7375017825468525
Energy: 0.9260359511602363
Energy: 0.839207295159642
Energy: 1.1203712972689728
Energy: 0.9193132778295737
Energy: 0.8679859678443173
Energy: 1.121928269535961
Energy: 0.9204705850445536
Energy: 0.8215226803624379
Energy: 0.7486775946208752
Energy: 0.8666267909672187
Energy: 0.8450952909461585
Energy: 0.7485181781163102
Energy: 0.8670500621235624
Energy: 0.7716886796100118
Energy: 0.7707179674961555
Energy: 0.8307833332878586
Energy: 0.8284946324450095
Energy: 0.7716743213949858
Energy: 0.8264088494473751
Energy: 0.7690806160649158
Energy: 0.8263962286629692
Energy: 0.8657649750091997
Energy: 0.8392979941665054
Energy: 0.8148873022545805
Energy: 0.6959216203810632
Energy: 0.8295585827474458
Energy: 0.8071066276296848
Energy: 0.7015794894634676
Energy: 0.6971303035297053
Energy: 0.8081250048312744
Energy: 0.6982445213675069
Energy: 0.7674766710586334
Energy: 0.9688828906370698
Energy: 0.7758581287375651
Energy: 0.8217637996348746
Energy: 0.7984488847429341
Energy: 0.7542379661090594
Energy: 0.8087905899287118
Energy: 0.6988282629450724
Energy: 0.8112747877556076
Energy: 0.8268335087661555
Energy: 0.698814914581741
Energy: 0.905788183391083
Energy: 0.699172872524869
Energy: 0.6966628258792363
Energy: 0.8255757954984199
Energy: 0.8560923940781533
Energy: 0.6969261702174262
Energy: 0.8822049676847556
Energy: 0.7134816020356035
Energy: 1.034102621630737
Energy: 0.8706511038264343
Energy: 0.853972555755353
Energy: 0.8391421479161854
Energy: 0.8521918412702112
Energy: 0.8144806626158646
Energy: 0.7508138988703509
Energy: 0.7791430382530672
Energy: 0.7759221583733215
Energy: 0.7510965195206468
Energy: 0.7498318879868392
Energy: 0.7892728795302252
Energy: 0.7973139649272204
Energy: 0.8664970034641181
Energy: 0.8536198886377387
Energy: 0.8552580326875825
Energy: 0.7134973556109129
Energy: 0.8504360288210201
Energy: 0.9095845104832584
Energy: 0.8297005706752498
Energy: 0.8303269084652319
Energy: 0.9086744694804376
Energy: 0.8300740192530791
Energy: 0.8673197124979418
Energy: 0.8740471795873833
Energy: 0.8314070806998128
Energy: 0.8119919292548679
Energy: 0.8741110454189791
Energy: 0.8310287700618157
Energy: 0.8242521760976975
Energy: 1.210705677948395
Energy: 0.8823506554176274
Energy: 0.8848329469409772
Energy: 1.2119539299874673
Energy: 0.8816420481391376
Energy: 0.8278476598494923
Energy: 0.7786670715123546
Energy: 0.8113300606699874
Energy: 0.8115648012368277
Energy: 0.781599551131139
Energy: 0.8759152995319018
Energy: 0.8119890344287913
Energy: 0.8961033345775332
Energy: 0.8545519683148173
Energy: 0.8537482669149653
Energy: 0.896962625903396
Energy: 0.83390374185851
Energy: 0.8525689799635838
Energy: 0.8859075063224633
Energy: 0.8542329249810112
Energy: 0.85399697243746
Energy: 0.8413599493870999
Energy: 0.8552724269109712
Energy: 0.8528405535095324
Energy: 0.7479273936827205
Energy: 0.8115055610754541
Energy: 0.839946066307368
Energy: 0.7489881802193151
Energy: 0.9251449743183557
Energy: 0.8396018480158679
Energy: 1.119993991817899
Energy: 0.9181797085804156
Energy: 0.8705327557859003
Energy: 1.120817118803239
Energy: 0.9218365407695427
Energy: 0.8212353674572093
Energy: 0.7486724568810805
Energy: 0.8605102177533697
Energy: 0.8460230763601206
Energy: 0.7487857149576737
Energy: 0.8644914622713039
Energy: 0.8641672352167026
Energy: 0.7690715927686463
Energy: 0.8063814979525005
Energy: 0.8054967557244179
Energy: 0.7701383506602386
Energy: 0.8057761141628439
Energy: 0.809688283868534
Energy: 0.8447277459834156
Energy: 0.8247525898496144
Energy: 0.8274069328526901
Energy: 0.8455458121991919
Energy: 0.6989160701812367
Energy: 0.8252843963620411
Energy: 0.8062518249336332
Energy: 0.6970212517013885
Energy: 0.7145898158627416
Energy: 0.8069119473031817
Energy: 0.6993187607374131
Energy: 0.7669831717451125
Energy: 0.9725796247448926
Energy: 0.754543074093251
Energy: 0.8093811305885271
Energy: 0.9688649602138493
Energy: 0.7569517536795997
Energy: 0.8086647233534103
Energy: 0.6985733016674724
Energy: 0.8124542821862368
Energy: 0.8270730301745295
Energy: 0.698442946079065
Energy: 0.9034471415824454
Energy: 0.6986101090206889
Energy: 0.6965224299689414
Energy: 0.8177855327614578
Energy: 0.7136831814350685
Energy: 0.6964714641852027
Energy: 0.8300115798779766
Energy: 0.7139489409342996
Energy: 0.82843665569563
Energy: 0.8665051574648626
Energy: 0.8268518156286142
Energy: 0.7782571914815987
Energy: 0.8530922766921161
Energy: 0.8148270143638249
Energy: 0.8473658086682936
Energy: 0.7702620631436901
Energy: 0.7672404369595313
Energy: 0.8311603245650167
Energy: 0.7691295121659015
Energy: 0.7909381961463573
Energy: 0.8332720935109559
Energy: 0.7136099647437651
Energy: 0.8504173899757286
Energy: 0.8345298489621275
Energy: 0.713426297571387
Energy: 0.8505225332650014
Energy: 0.9077766131694094
Energy: 0.8353563214170246
Energy: 0.8298725780409902
Energy: 0.9074904319139109
Energy: 0.9245285826911996
Energy: 0.8276626142218501
Energy: 0.8751127730902624
Energy: 0.8298521779402277
Energy: 0.8359383004033392
Energy: 0.8737460206971915
Energy: 0.8296291496296709
Energy: 0.8402032902620321
Energy: 1.212669135899648
Energy: 0.8823130136121994
Energy: 0.8973098409961375
Energy: 1.0365628023111104
Energy: 0.8815708384219655
Energy: 0.8285287016366809

minimum gb energy = 0.6959216203810632 eV
minimum distance =  2.35987604668288 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.12092555862053
Energy: 1.1045474982281778
Energy: 1.1080811289657684
Energy: 1.1229725864045228
Energy: 1.3374393839039591
Energy: 1.1111489723849364
Energy: 0.8906215689737456
Energy: 0.9510599267454618
Energy: 0.9518897489815938
Energy: 0.9907265286793945
Energy: 0.975954114235059
Energy: 0.9785838283654226
Energy: 0.9667853521120775
Energy: 0.9880435435246542
Energy: 0.9879032828825508
Energy: 0.9673773128116443
Energy: 0.9654983980866004
Energy: 0.9405530342902585
Energy: 0.9828564098106343
Energy: 0.9653123267004855
Energy: 0.9654661127706724
Energy: 0.9464917261435993
Energy: 0.9152162485995684
Energy: 0.8304930502010637
Energy: 0.841744242308956
Energy: 0.976974790546843
Energy: 0.9793531817059976
Energy: 0.8416633239519492
Energy: 1.0313976333228272
Energy: 0.9755507631338983
Energy: 1.0400356280162666
Energy: 1.0256584304752059
Energy: 1.0257248166439181
Energy: 1.041088498809825
Energy: 1.017260466330678
Energy: 1.0276965068193673
Energy: 0.8413079754765098
Energy: 0.9409051202561541
Energy: 0.9794986717623102
Energy: 0.8405679584746562
Energy: 0.9486880190956297
Energy: 0.8413870731883187
Energy: 0.8218676862708189
Energy: 0.9452558991391757
Energy: 0.873344821689771
Energy: 0.8229864390648293
Energy: 0.9426584187063812
Energy: 0.822037128800787
Energy: 0.9475103831613371
Energy: 0.8795916287167403
Energy: 0.9425226900438692
Energy: 0.9436914924797626
Energy: 0.8651764505286897
Energy: 0.9420587247206621
Energy: 0.9038433539186095
Energy: 0.8333042648544552
Energy: 0.8587762500327532
Energy: 0.9044309275739415
Energy: 0.8298893298796096
Energy: 0.9174443024008787
Energy: 0.9354824953790826
Energy: 0.8569559142419826
Energy: 0.9856513208118232
Energy: 0.9369103960844479
Energy: 0.7884389459917859
Energy: 0.8690542471024214
Energy: 1.019598795199363
Energy: 0.9467443819232451
Energy: 0.9513464091434725
Energy: 1.0207365608333205
Energy: 1.0426757362536856
Energy: 0.9085553667835901
Energy: 0.9780911206187672
Energy: 0.9163120258205012
Energy: 0.9618122186808101
Energy: 0.9790309732536476
Energy: 0.9177789208319939
Energy: 0.9096871691714907
Energy: 1.125391440688873
Energy: 0.9893096947948083
Energy: 1.1004299270792042
Energy: 1.125334119818862
Energy: 0.9765387221858527
Energy: 1.0961379511080147

minimum gb energy = 0.7884389459917859 eV
minimum distance =  2.32079525469931 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.3849952754139065
Energy: 1.3234374704929313
Energy: 1.2238823340220912
Energy: 1.386516072907612
Energy: 1.27973082215314
Energy: 1.1432928750740343
Energy: 1.079852300952767
Energy: 0.9445853051949176
Energy: 0.944805073716083
Energy: 1.1368094880596917
Energy: 0.9588714538027873
Energy: 0.9936231985743937
Energy: 1.1679159553998495
Energy: 1.1020037050002458
Energy: 1.1021991266869815
Energy: 1.1692053631787431
Energy: 1.0436207690052228
Energy: 1.1034124402322452
Energy: 1.1078704797583407
Energy: 1.0490553899765245
Energy: 1.0282236458623326
Energy: 1.0775151598091675
Energy: 0.9471588133923373
Energy: 1.0573169922460508
Energy: 0.9655893436238474
Energy: 0.9582311561998189
Energy: 0.9891606046601058
Energy: 0.9658134016928385
Energy: 0.9592065466988948
Energy: 0.9960742085567131
Energy: 1.079012151454077
Energy: 0.9618461196061084
Energy: 1.0187221822863073
Energy: 1.0605876022111427
Energy: 0.9361960783205002
Energy: 1.016436616949219
Energy: 0.9480168455277238
Energy: 1.0129912212425525
Energy: 1.0186024832092408
Energy: 0.9482548276388167
Energy: 1.0351393692166784
Energy: 1.018963806664369
Energy: 0.9575063478359221
Energy: 1.0191027575054417
Energy: 0.9889634253499022
Energy: 0.9577357016103305
Energy: 0.9661451283769558
Energy: 0.9811958135955863
Energy: 1.0418298172598768
Energy: 1.0846512499380079
Energy: 1.0913722202144585
Energy: 0.9742680416064177
Energy: 1.0734931609919034
Energy: 1.1322460884304957
Energy: 0.9190218630509921
Energy: 1.0942898371968302
Energy: 1.0914175794757728
Energy: 1.0271351756460358
Energy: 1.139638017003886
Energy: 1.1320572600652496
Energy: 0.984548271276967
Energy: 0.9893405564877316
Energy: 1.0107674684087287
Energy: 0.9859238834222562
Energy: 0.9605485232408416
Energy: 0.9691389432011196
Energy: 0.9973520271837186
Energy: 1.2079193982107348
Energy: 1.207797237522826
Energy: 1.0320567506843696
Energy: 1.0960311738033688
Energy: 1.2077688306319854
Energy: 0.9379763713414985
Energy: 0.9990783539447097
Energy: 1.0084813359449214
Energy: 0.9381305681721542
Energy: 1.1200957054096818
Energy: 1.003271102556704
Energy: 1.182850779418389
Energy: 1.1063911197214573
Energy: 1.0861856103115772
Energy: 1.0931055431638543
Energy: 1.099243303392726
Energy: 1.0930739479042526
Energy: 0.9258506946004746
Energy: 1.0458216406019976
Energy: 1.0598494673651158
Energy: 0.925949564962834
Energy: 1.0420013586488515
Energy: 1.058126392118649
Energy: 0.9369141080531744
Energy: 1.0045200328175492
Energy: 1.0128386647427465
Energy: 0.9073872860421698
Energy: 0.9875514840280973
Energy: 0.976921296774339
Energy: 0.9198433733101962
Energy: 1.0140082189013668
Energy: 1.0230668099305356
Energy: 0.9200910727177485
Energy: 0.9943591137379438
Energy: 1.017469516377199
Energy: 1.1195471963650192
Energy: 0.9997517906198439
Energy: 1.037931999202492
Energy: 1.1213330272611894
Energy: 1.0015526594332125
Energy: 1.009929210884491
Energy: 0.9594303283875796
Energy: 1.0046779023731747
Energy: 0.9968074852351986
Energy: 0.9589759560134974
Energy: 1.0346806360385636
Energy: 1.0118357952854646
Energy: 1.0715399324387653
Energy: 1.1305728125279322
Energy: 1.1305460646210936
Energy: 1.0701588049252195
Energy: 1.0852429354866386
Energy: 1.064969452184717
Energy: 1.0195950710120716
Energy: 1.0898461773667292
Energy: 1.0157374398203756
Energy: 1.0109191457853228
Energy: 0.9254713128837626
Energy: 0.9930207215213822
Energy: 0.9561637881728637
Energy: 1.0077388974774686
Energy: 0.9908735803592956
Energy: 0.9237392841790366
Energy: 1.020778851954824
Energy: 0.9928965435054029
Energy: 1.3157142342143033
Energy: 1.104828616641714
Energy: 1.1026925106048695
Energy: 1.0844322269565656
Energy: 1.107582789294448
Energy: 1.1027696000815117
Energy: 1.026916251327108
Energy: 0.9536298636341074
Energy: 0.9965970515240867
Energy: 1.0361511959716363
Energy: 0.9341823854882667
Energy: 0.9856527474476315
Energy: 1.01203728811061
Energy: 1.0497195976139875
Energy: 1.032118690211692
Energy: 1.0131593008524094
Energy: 1.064700522612206
Energy: 1.0142664544987594
Energy: 1.0377775884539182
Energy: 1.0098037643396398
Energy: 1.0172031484403254
Energy: 0.9916959945370832
Energy: 0.9118395095376591
Energy: 1.010830983490315
Energy: 1.0663254820040042
Energy: 0.9111372100300162
Energy: 0.9326455376277057
Energy: 1.0351132549035493
Energy: 0.9079011234642234
Energy: 1.0089171377831958
Energy: 1.017543518896695
Energy: 0.9947955546421785
Energy: 1.0448246126802536
Energy: 0.9858615596580698
Energy: 0.9288842015501152
Energy: 1.0492842852446365
Energy: 1.1020505740233495
Energy: 1.0724787153779864
Energy: 1.0627615656802951
Energy: 1.1016844977603457
Energy: 1.0951664487863397
Energy: 1.065135340963318
Energy: 1.1241754073028858
Energy: 0.9267275780015318
Energy: 0.9928287222422307
Energy: 1.1374984948280036
Energy: 0.9258775990538143
Energy: 1.0062222792165803
Energy: 1.3877387187808286
Energy: 1.0304113097153964
Energy: 1.0632588080833378
Energy: 1.2464215631445723
Energy: 1.1022279528540422
Energy: 1.0630680737549705

minimum gb energy = 0.9073872860421698 eV
minimum distance =  2.30591659431783 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.247327312850087
Energy: 1.0784654761015182
Energy: 1.0765203358901076
Energy: 1.2498611666464607
Energy: 1.4580861370456826
Energy: 1.078728348459911
Energy: 0.8969400586823052
Energy: 1.0556745198240236
Energy: 1.0584207672078285
Energy: 1.0323656117427533
Energy: 1.104672293434899
Energy: 1.0342578426089948
Energy: 0.9992207987763033
Energy: 1.0097263360592952
Energy: 1.0114650913332175
Energy: 0.9995753121827934
Energy: 1.0885640291068435
Energy: 0.9950869405902826
Energy: 1.0005118473547403
Energy: 1.028120197415746
Energy: 0.9799424226841028
Energy: 1.0011091017886746
Energy: 1.0091085058034561
Energy: 0.9799554689700045
Energy: 0.9221380129832394
Energy: 1.05280473171528
Energy: 1.05173431390751
Energy: 0.9225390896264445
Energy: 1.0503732027387975
Energy: 1.0536512626658097
Energy: 1.0945699089061829
Energy: 1.0472267551296526
Energy: 1.0441850304001037
Energy: 1.0124898527488058
Energy: 1.062944227362696
Energy: 1.0437109082570348
Energy: 0.9882501167685035
Energy: 0.9308893489258294
Energy: 1.0066251668504822
Energy: 0.989447774316191
Energy: 0.9331761658610278
Energy: 1.036382910915256
Energy: 1.031758450706693
Energy: 0.9815769151829193
Energy: 1.0261892788380305
Energy: 1.0330436244636325
Energy: 0.9936845306408346
Energy: 1.0221139506237285
Energy: 1.1071348393533977
Energy: 0.9925537884720537
Energy: 1.0751975145584836
Energy: 1.0723818307751176
Energy: 0.993503039652322
Energy: 1.0722428344843218
Energy: 1.1072231325144706
Energy: 0.9923812229740563
Energy: 1.0740372600042394
Energy: 1.0161461180479283
Energy: 1.0006947422302903
Energy: 1.0723403896443713
Energy: 1.0323327555147939
Energy: 1.0154713030810014
Energy: 1.026510587736616
Energy: 1.0333615929403783
Energy: 0.9958935962100065
Energy: 0.968902958223667
Energy: 0.9946713281217682
Energy: 1.0940662844706728
Energy: 1.040722439604977
Energy: 0.9956083888597661
Energy: 1.090377939781756
Energy: 0.9924965220857143
Energy: 0.9932855504562749
Energy: 1.0129108355860261
Energy: 1.012138021068146
Energy: 0.9945332861476525
Energy: 1.1061924007223793
Energy: 1.0112590398622379
Energy: 1.0934145966592252
Energy: 1.0649544867076377
Energy: 1.0598477605909722
Energy: 1.094132105297021
Energy: 1.007050493159739
Energy: 1.0618230564656599
Energy: 1.0052711187261254
Energy: 1.0015736453746202
Energy: 1.05235752746418
Energy: 1.0057010916973037
Energy: 0.93193891395709
Energy: 1.0545797654769673
Energy: 0.9890771627317546
Energy: 0.9317788658625952
Energy: 1.005961448448712
Energy: 0.989396612957522
Energy: 0.9930305026551457
Energy: 0.989494491060829
Energy: 0.8967755118480313
Energy: 1.0339331879913682
Energy: 1.0331785446673756
Energy: 0.897215857339452
Energy: 0.9974438438602006
Energy: 1.012551579113171

minimum gb energy = 0.8967755118480313 eV
minimum distance =  2.36229637407036 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.4765064277230115
Energy: 1.021253166361952
Energy: 1.3099554317531252
Energy: 1.321149276958341
Energy: 1.1384751320602136
Energy: 1.313518482782725
Energy: 1.068564601761291
Energy: 1.0558758415553586
Energy: 1.04918469138497
Energy: 1.1520965116158814
Energy: 1.0682543050353357
Energy: 1.008656975140611
Energy: 1.1163764240195926
Energy: 1.0525740355236455
Energy: 1.0442461512226908
Energy: 1.1169107720811218
Energy: 1.0876915155442592
Energy: 1.0429416948354997
Energy: 1.0394206640516257
Energy: 1.0328586341295534
Energy: 1.0316649853323352
Energy: 1.0415531018721842
Energy: 1.0368693429378457
Energy: 1.0399670542375954
Energy: 1.0270575123975325
Energy: 0.9914013993657242
Energy: 0.993910373784175
Energy: 1.028468953694696
Energy: 0.9918812451788618
Energy: 0.9975316152146859
Energy: 0.9876062221423505
Energy: 1.0099438124350824
Energy: 0.9902176627894751
Energy: 0.9888781575636777
Energy: 1.0477773514427444
Energy: 0.9945755968072615
Energy: 1.1499850719058595
Energy: 1.0795927519831905
Energy: 1.2927029607007143
Energy: 1.1510073675253814
Energy: 1.1346794948819512
Energy: 1.292389506203482
Energy: 1.0632099448578345
Energy: 0.9915724899588079
Energy: 0.9912749114268609
Energy: 1.0511938670709968
Energy: 1.0340235014495454
Energy: 0.9916771049843894
Energy: 1.154728175788602
Energy: 1.0267104171341117
Energy: 1.0019251813099428
Energy: 1.0444202291454265
Energy: 1.0533527108974572
Energy: 1.054031382524097
Energy: 1.1518030975229296
Energy: 1.002403219406602
Energy: 1.0017535702925024
Energy: 1.1030053172154737
Energy: 1.0129838427420237
Energy: 1.008985085458559
Energy: 1.0351342241805006
Energy: 1.0058909875327557
Energy: 1.002571316253299
Energy: 1.0120649923440528
Energy: 1.014514548196807
Energy: 0.980420286265139
Energy: 1.0108510587490045
Energy: 1.0071735135032385
Energy: 1.0045761738553896
Energy: 1.0100846079757217
Energy: 0.9931978187387687
Energy: 0.9991989850056632
Energy: 1.1378043893065977
Energy: 1.047923186967745
Energy: 1.0395366658380616
Energy: 1.0667044019500964
Energy: 1.046640895217306
Energy: 1.0662621961099517
Energy: 1.1850243134497458
Energy: 1.055377297752871
Energy: 1.0487877574498878
Energy: 1.1792020221278754
Energy: 1.07754988470343
Energy: 1.0496124732322825
Energy: 1.0362590582071085
Energy: 1.0089392472543508
Energy: 0.9932386536703999
Energy: 1.036854277136065
Energy: 1.0118639337229969
Energy: 1.024361033325484
Energy: 1.0051176833974675
Energy: 1.2258741721077224
Energy: 1.0582787074827076
Energy: 1.0059766548663316
Energy: 1.1892192212414465
Energy: 0.9988257339651873
Energy: 1.0361530410747197
Energy: 1.022062955024593
Energy: 1.031816235907576
Energy: 1.036649353368348
Energy: 1.146401924475969
Energy: 1.0310769651329141
Energy: 1.0685798298707603
Energy: 1.041690849441053
Energy: 1.0411598145396752
Energy: 1.0699659827037278
Energy: 1.0380019806129979
Energy: 1.042397767820115
Energy: 1.0489801277813497
Energy: 1.0584957664185817
Energy: 1.054425827063911
Energy: 1.0502194158844285
Energy: 1.0285310815789401
Energy: 1.0833165073524915
Energy: 1.0747861703481043
Energy: 1.0471236350681679
Energy: 1.0556703266565595
Energy: 1.0714096158052446
Energy: 1.0479398181567041
Energy: 1.051802582216344
Energy: 1.0352125580818652
Energy: 1.0170796948312555
Energy: 1.020257437962137
Energy: 1.0394951103170023
Energy: 1.0153682654847707
Energy: 1.004095182386163

minimum gb energy = 0.980420286265139 eV
minimum distance =  2.32571027667716 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.04254236137223
Energy: 1.0351245038195478
Energy: 1.013692887798414
Energy: 1.0440394685035084
Energy: 1.4214189598518874
Energy: 1.0145879384349477
Energy: 1.0055720094025529
Energy: 1.1092480242560885
Energy: 1.1080551113917003
Energy: 1.1311512114422468
Energy: 1.1096455714181832
Energy: 0.9837942643412795
Energy: 1.0792235116620892
Energy: 0.9644033511468141
Energy: 0.9714638558599435
Energy: 1.0802894008562252
Energy: 0.9467627175560205
Energy: 1.0291406255423272
Energy: 1.0665137467980785
Energy: 0.9641712156991702
Energy: 1.005092792730439
Energy: 1.0677600548128938
Energy: 1.013266005013421
Energy: 1.041910099275248
Energy: 0.9837095561724681
Energy: 0.9808661352288408
Energy: 0.9600231289747347
Energy: 0.9846723786362993
Energy: 1.0134319240798813
Energy: 0.9491212386384279
Energy: 0.9843861687402784
Energy: 0.9880092139783059
Energy: 0.9668514876146079
Energy: 0.985365323865819
Energy: 1.0088821866202842
Energy: 0.966786759526496
Energy: 1.0014915154431725
Energy: 0.8969171125854549
Energy: 0.8972205463644344
Energy: 1.0019566738309977
Energy: 0.9003502959223593
Energy: 0.8949362730968607
Energy: 0.9942655064954363
Energy: 0.9814123770801031
Energy: 1.011283277097075
Energy: 0.9945161554676889
Energy: 0.9573544704719258
Energy: 1.012786622744162
Energy: 1.080779695519089
Energy: 0.9622957231960315
Energy: 0.9641760718604321
Energy: 0.9723813513274466
Energy: 1.0037641695766089
Energy: 0.9774766314287794
Energy: 1.0897946990610374
Energy: 0.9661898900730339
Energy: 0.9661741020574924
Energy: 1.0127095831309363
Energy: 1.001669849443093
Energy: 0.9673688711976397
Energy: 0.9940999452055231
Energy: 0.981639108964271
Energy: 1.097330207942534
Energy: 0.9946639419791226
Energy: 0.9905754645913831
Energy: 1.0968624564507228
Energy: 1.0119905515611294
Energy: 1.0024712527933177
Energy: 0.971585541629685
Energy: 1.01314321352632
Energy: 0.9981723501029738
Energy: 0.9747936976895827
Energy: 0.8975985171240345
Energy: 1.015252304362925
Energy: 0.8935656745044839
Energy: 0.8984961088471692
Energy: 1.0289753588545987
Energy: 0.8930720734149816
Energy: 0.8981514280253482
Energy: 1.0092261281301083
Energy: 1.03210555285979
Energy: 0.9088529738866333
Energy: 1.0499357259168178
Energy: 0.962388778737678
Energy: 0.9910090441157768
Energy: 0.9695735018410222
Energy: 0.9807671244391186
Energy: 1.0058232054116698
Energy: 0.9712028821177373
Energy: 0.981493308356379
Energy: 1.0321060338023424
Energy: 0.9572995284276093
Energy: 0.9571510576908853
Energy: 1.032688055529982
Energy: 0.957795123391455
Energy: 0.9643788319595151
Energy: 0.9784872735162098
Energy: 1.0008213414418359
Energy: 1.0066683112953834
Energy: 0.978917968028099
Energy: 1.0314309960996486
Energy: 1.0057601475644793
Energy: 0.9872790180129369
Energy: 0.9901225164922282
Energy: 0.952146731424465
Energy: 0.9829133963584058
Energy: 1.0144442002844418
Energy: 0.9486422764008632
Energy: 0.9994135052555099
Energy: 0.9069477174837766
Energy: 0.8939562712145903
Energy: 1.0003922645312842
Energy: 0.8994172103209255
Energy: 0.8934657455046172
Energy: 1.0257828229114425
Energy: 0.9011286378684056
Energy: 0.8961591659913092
Energy: 1.0268029038337707
Energy: 0.8992543265717872
Energy: 0.8960548306539293
Energy: 1.0621745745994169
Energy: 1.0104238163943589
Energy: 0.9820685169807428
Energy: 0.9768813056654911
Energy: 1.0040770405302648
Energy: 0.9500848135806733
Energy: 0.9452064462407271
Energy: 1.08301207054692
Energy: 1.0617221882543675
Energy: 0.9455723692598355
Energy: 1.1013375813040318
Energy: 1.062482816413032
Energy: 1.1186149998848678
Energy: 0.9956143402049976
Energy: 0.9946707989769528
Energy: 1.1200635757929436
Energy: 0.9983312414934253
Energy: 0.9946147144242546
Energy: 1.1020914993504072
Energy: 1.0068588378555663
Energy: 1.0051781902547996
Energy: 1.0896345950363067
Energy: 1.011167246990065
Energy: 1.0197844673109406
Energy: 1.0427287655869946
Energy: 1.1080292332519215
Energy: 1.0914874007141246
Energy: 1.066470032245592
Energy: 1.1020924448146179
Energy: 0.9818077424075614

minimum gb energy = 0.8930720734149816 eV
minimum distance =  2.33919765482765 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.4164510021156789
Energy: 1.1467720117568796
Energy: 1.446249895793207
Energy: 1.3144816403860458
Energy: 0.9805988054425137
Energy: 0.9461295941780842
Energy: 1.0416145017201646
Energy: 1.0489173634018354
Energy: 1.0428436242515322
Energy: 1.1197189943988632
Energy: 1.0389541054596714
Energy: 0.9865061033501238
Energy: 1.0518268903565937
Energy: 1.0421020569404176
Energy: 1.0340642432755174
Energy: 1.0480092706343522
Energy: 1.0467984486523867
Energy: 1.0257623094233264
Energy: 1.0176793581746018
Energy: 0.985053240923837
Energy: 0.9862584674622599
Energy: 1.0179128166769844
Energy: 0.9913911349873812
Energy: 0.9851526996655009
Energy: 0.9286674690414122
Energy: 1.0313487678958102
Energy: 1.0217858053577915
Energy: 0.9298871140803417
Energy: 1.028360041646574
Energy: 1.0218726000066518
Energy: 1.0360815294638412
Energy: 1.0005883041129982
Energy: 0.9871237909765369
Energy: 1.0364736359101525
Energy: 1.1195245875085256
Energy: 0.9868635893820562
Energy: 1.008511911849748
Energy: 1.1415870578512217
Energy: 1.1897121735311569
Energy: 1.004609146304475
Energy: 1.1395798797334677
Energy: 1.1414777476327185
Energy: 1.0631417839536421
Energy: 0.9767197687495788
Energy: 0.9857683387626718
Energy: 1.0636193807290613
Energy: 1.0298452762759918
Energy: 1.0085860921104053
Energy: 0.9177647425876991
Energy: 0.9718143504546474
Energy: 0.9402733241228003
Energy: 0.9179511416268334
Energy: 0.9843754476860759
Energy: 0.9567857156488349
Energy: 0.9397144086683723
Energy: 0.9685542882304982
Energy: 0.9637840526983581
Energy: 0.9688849628648574
Energy: 1.0266082856333922
Energy: 0.9637449174181674
Energy: 1.176633213046437
Energy: 1.1113767161661559
Energy: 1.0971484911956646
Energy: 1.1780577576737898
Energy: 1.1204252382636313
Energy: 1.094420999411526
Energy: 1.033890812069306
Energy: 0.9763309378141004
Energy: 0.9828676441959676
Energy: 1.0338869232401005
Energy: 1.0007643467265903
Energy: 0.977929493081064
Energy: 1.2870227577077031
Energy: 0.9795585811060968
Energy: 0.960146569343103
Energy: 1.042131225806935
Energy: 0.9786395233551989
Energy: 0.9672241491748828
Energy: 0.9967825648979355
Energy: 0.9766435777744252
Energy: 0.977690907236413
Energy: 1.0044621857854577
Energy: 0.989953064000168
Energy: 0.9821769420596089
Energy: 0.9585919784173162
Energy: 0.9407481768525664
Energy: 0.9463808775898583
Energy: 0.9584016592264143
Energy: 0.902357719662304
Energy: 0.9444985552073651
Energy: 0.9805562640856021
Energy: 0.9522335424787194
Energy: 0.9494263304963982
Energy: 1.0332230982897708
Energy: 0.9309369497266882
Energy: 0.9498656997677086
Energy: 1.1576267249406051
Energy: 0.9572756954665536
Energy: 0.9550326750785899
Energy: 1.1586161522917062
Energy: 0.9570799256873166
Energy: 0.9545533306214892
Energy: 0.9712023963063657
Energy: 0.9856866195570091
Energy: 0.9745869063221666
Energy: 0.9718239861453194
Energy: 1.024753903538964
Energy: 0.975789181947134
Energy: 1.006831859864612
Energy: 1.0673000615054733
Energy: 0.9757508224321977
Energy: 1.0084036270079648
Energy: 1.063082428235177
Energy: 0.9749784142124052
Energy: 0.9564216919520772
Energy: 0.9783640405161674
Energy: 0.9838385621276804
Energy: 0.9574737829878157
Energy: 0.9570946857903738
Energy: 0.9737069676388603
Energy: 0.9016122831719806
Energy: 0.9569010569273371
Energy: 0.9409308775129523
Energy: 0.9018774931581353
Energy: 0.9588961504330401
Energy: 0.9389927738360296
Energy: 0.939607319963626
Energy: 0.9605165401304929
Energy: 0.959243249943496
Energy: 0.9393722803801368
Energy: 1.008949646353556
Energy: 0.9588055793205289
Energy: 0.9812672976477916
Energy: 0.9933327053595147
Energy: 0.9838365054073086
Energy: 0.9818058447408566
Energy: 0.9969618147723057
Energy: 0.9683564968432086
Energy: 1.0241755626942068
Energy: 0.9895360067388274
Energy: 0.9619918521334965
Energy: 1.0117745662383155
Energy: 0.9297841028404712
Energy: 0.9881823440037366
Energy: 0.9778299004459332
Energy: 1.0025360117021518
Energy: 0.9785581554077429
Energy: 0.9629729213342165
Energy: 1.0239132785832894
Energy: 0.9727410629127805
Energy: 1.043518110185073
Energy: 0.9937635081145748
Energy: 0.9685862094515183
Energy: 1.0265896494445041
Energy: 0.9910412305340218
Energy: 0.9687828312681421
Energy: 0.9922864534034249
Energy: 0.9458897149096682
Energy: 0.9460759324387847
Energy: 0.9913687812047959
Energy: 0.9388589621187329
Energy: 0.9475318658701043
Energy: 0.9905744264847104
Energy: 0.9592268064763046
Energy: 0.9735332356931661
Energy: 0.9710680166202003
Energy: 0.9518531147424021
Energy: 0.9721105535966118
Energy: 0.9693998402857932
Energy: 0.9853979764171364
Energy: 1.0155080773836003
Energy: 0.952178671559417
Energy: 1.0122127040172313
Energy: 0.964873836310957

minimum gb energy = 0.9016122831719806 eV
minimum distance =  2.34202198108169 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.2918068588033202
Energy: 1.478843137132038
Energy: 1.499645392559068
Energy: 1.2931065897370533
Energy: 1.6728739274657272
Energy: 1.198240481343619
Energy: 1.0271771852194247
Energy: 0.9767925986694941
Energy: 0.9742926580199975
Energy: 1.1369712496855742
Energy: 0.9818810723653656
Energy: 0.9388019517957962
Energy: 1.0388368190812918
Energy: 1.071916572401006
Energy: 0.9233704992761771
Energy: 1.0398387754798677
Energy: 1.0728879465063017
Energy: 0.9224850717216739
Energy: 0.9800157846966903
Energy: 0.9436092276132374
Energy: 0.9407938748938695
Energy: 0.9810735946474095
Energy: 0.9666474588330094
Energy: 0.9399941006348905
Energy: 0.8840273701260198
Energy: 1.0195651813597943
Energy: 1.0511330876864047
Energy: 0.8857124592644351
Energy: 1.0407462201035644
Energy: 0.918130353350889
Energy: 1.0327038210533253
Energy: 0.9396855716461684
Energy: 0.9390594209098754
Energy: 1.0333396027659292
Energy: 1.0874099221265385
Energy: 0.9422959688405552
Energy: 0.9957665941177766
Energy: 1.3620136695089011
Energy: 0.9467381597088237
Energy: 0.9952392089042752
Energy: 1.364345321836969
Energy: 1.2077140030702986
Energy: 1.0528776557378199
Energy: 0.9425351252302574
Energy: 0.9412622783347534
Energy: 1.053060818162728
Energy: 0.9626225561837266
Energy: 0.9780642519193644
Energy: 0.8728372625763117
Energy: 0.9392269997667766
Energy: 0.9160647445243407
Energy: 0.8740165651234902
Energy: 0.9739050591946925
Energy: 0.9148433577798584
Energy: 0.9177871489416584
Energy: 0.9372309649574581
Energy: 0.936365773780282
Energy: 0.9505210340207328
Energy: 0.9944460452371777
Energy: 0.936079636750512
Energy: 1.3238229901783038
Energy: 1.221548331131589
Energy: 1.1843371179382352
Energy: 1.3241270842338304
Energy: 1.224830659778431
Energy: 1.1820118603440994
Energy: 0.9897507387269364
Energy: 0.9449672316262328
Energy: 0.9416761157691207
Energy: 0.9899164970432687
Energy: 0.951409842861546
Energy: 0.9408586809103128
Energy: 1.0837632211726556
Energy: 1.0217889673921936
Energy: 0.9430512962125683
Energy: 1.084054404103044
Energy: 1.0357802820939446
Energy: 0.9442041275982765
Energy: 0.894566344585473
Energy: 0.9287354458171795
Energy: 0.9291441081560419
Energy: 0.9197764536789242
Energy: 0.9704046644810616
Energy: 0.9419656390967245
Energy: 0.9738345461046489
Energy: 0.8885329739166383
Energy: 0.9129178778227897
Energy: 0.9749212688413549
Energy: 0.8874552593435828
Energy: 0.9140885623458932
Energy: 0.9719008977387062
Energy: 0.9326870098786746
Energy: 0.9354719135077071
Energy: 0.9719481720212554
Energy: 0.8716106492570473
Energy: 0.9355038051935761
Energy: 1.2903130961814215
Energy: 1.0112315068217665
Energy: 0.9325946870624144
Energy: 1.2841262121361583
Energy: 0.9917502673577454
Energy: 1.1897052184017556
Energy: 0.9773918198588518
Energy: 0.9896850390032691
Energy: 0.9660112322347705
Energy: 0.9782578045355766
Energy: 1.00804977814874
Energy: 0.9415154417622278
Energy: 1.036459238923201
Energy: 1.0960745351744565
Energy: 1.0837027738512022
Energy: 1.0414324134381023
Energy: 1.0973156338135748
Energy: 0.9305601564123497
Energy: 1.1108639666921152
Energy: 0.9413035029084714
Energy: 0.9307783576986561
Energy: 1.0995328829498892
Energy: 1.0957086170117705
Energy: 0.9456242005433367
Energy: 0.8873342642158508
Energy: 0.9523788060705378
Energy: 1.0641805936411233
Energy: 0.8889569487189435
Energy: 0.9935976807582517
Energy: 0.9194992751734212
Energy: 0.9747877143811686
Energy: 0.9418298384980809
Energy: 0.9403410280145809
Energy: 0.942169033524015
Energy: 1.0251760569710455
Energy: 0.9432377534502742
Energy: 0.9551681908751468
Energy: 1.1001520149570407
Energy: 0.9371349183114334
Energy: 0.955849472107475
Energy: 1.1012465548734407
Energy: 0.9410928970878465
Energy: 1.02322661757762
Energy: 0.95359057576121
Energy: 0.9536349296395205
Energy: 1.0100426079993097
Energy: 0.9316689593300199
Energy: 0.9686075765131218
Energy: 0.8704050641890385
Energy: 0.937876103309828
Energy: 0.9304579130329805
Energy: 0.8707697438997547
Energy: 0.9743611606150907
Energy: 0.9293855763622785
Energy: 0.9189625168271456
Energy: 0.9449557444123352
Energy: 0.9332356912430686
Energy: 0.8733044942147601
Energy: 1.0230842305411607
Energy: 0.9324799349764891
Energy: 1.1352634562865436
Energy: 1.2176268012878868
Energy: 0.9278415652072975
Energy: 1.0731386301856032
Energy: 1.2265205982045198
Energy: 0.9286454441953735
Energy: 1.0260507111521908
Energy: 0.9056551480637127
Energy: 0.9364118103878377
Energy: 1.016674752012446
Energy: 0.8890101362438028
Energy: 0.9420434557954857
Energy: 0.8948359108373108
Energy: 0.9764821729722798
Energy: 0.9291267546418166
Energy: 1.0599187600674884
Energy: 0.9757467600080382
Energy: 0.9287898444649845
Energy: 1.0831607383034452
Energy: 0.9707340391178535
Energy: 0.9307541872230447
Energy: 1.083821943894343
Energy: 0.9704652002084251
Energy: 0.9279904885530476
Energy: 0.9798468760464581
Energy: 0.9036779801569201
Energy: 0.9406012952416686
Energy: 0.9808270936141197
Energy: 0.8868340428202544
Energy: 0.9408047344550164
Energy: 0.973285247635539
Energy: 0.9137909229047447
Energy: 0.9293617641231067
Energy: 0.9458965779235837
Energy: 0.8716771542026868
Energy: 0.9349012742832802
Energy: 1.2809697273972942
Energy: 0.9849755109285822
Energy: 0.9180490578123636
Energy: 1.2257714922154939
Energy: 0.9840161471917078
Energy: 0.9171490016201406

minimum gb energy = 0.8704050641890385 eV
minimum distance =  2.3218556168259 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015462999952214776
Energy: 0.016172885371644963
Energy: 0.016070200538904674
Energy: 0.01716751083289695
Energy: 0.7213058774120125
Energy: 0.015969578568840598
Energy: 0.01621275756947433
Energy: 0.11151450671487685
Energy: 0.11005207597005305
Energy: 0.11139828624655228
Energy: 0.11192645542078973
Energy: 0.10987155421997237
Energy: 1.109533962995692
Energy: 0.7216081205968309
Energy: 0.7201369050264931
Energy: 0.722477731375825
Energy: 0.7225096450520707
Energy: 0.7202952621302409
Energy: 0.4948324390844008
Energy: 0.1115145067144576
Energy: 0.11005207597047231
Energy: 0.11139828624655228
Energy: 0.11192645542034582
Energy: 0.10987155421997237

minimum gb energy = 0.015462999952214776 eV
minimum distance =  2.52121293892583 Angstroms
sigma value = 1