Model name: model_name=MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_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=3.6133156493306164
cohesive_energy=3.54027843892012
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: 0.013667490321557297
Energy: 0.7076581724719051
Energy: 0.01398858126826397
Energy: 0.013874925270425702
Energy: 0.7128360057844534
Energy: 0.014012392427518523
Energy: 0.7076581724715911
Energy: 0.10367155432944392
Energy: 0.10372830677366386
Energy: 1.10241977589218
Energy: 0.4087849379669947
Energy: 0.10368692320098251
Energy: 0.013988581268577872
Energy: 0.1037283067751985
Energy: 0.10467083339921654
Energy: 0.01401107089360003
Energy: 0.4099110795764111
Energy: 0.10465596370744462
Energy: 0.0138749252701118
Energy: 1.10241977578514
Energy: 0.01401107089360003
Energy: 0.013868306376757665
Energy: 1.095243781283221
Energy: 0.013972335783312613
Energy: 0.7128360057813841
Energy: 0.40878493796762255
Energy: 0.409911079576725
Energy: 1.095243781291173
Energy: 0.7031802414849272
Energy: 0.4102793057085299
Energy: 0.014012392427204621
Energy: 0.10368692320098251
Energy: 0.10465596370744462
Energy: 0.013972335783312613
Energy: 0.4102793057085299
Energy: 0.014048721941107574

minimum gb energy = 0.013667490321557297 eV
minimum distance =  2.55080068531483 Angstroms
sigma value = 1


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

Energy: 1.2613934302720735
Energy: 1.3370037839982618
Energy: 1.183352361321053
Energy: 1.2635061296722903
Energy: 1.4972098128887816
Energy: 1.1786326416859927
Energy: 1.2364233092091657
Energy: 0.8465269584562601
Energy: 0.8455587879739777
Energy: 1.1322269416442832
Energy: 0.8465703388796045
Energy: 0.8320872423025215
Energy: 1.2826001630558344
Energy: 0.8580977555816561
Energy: 0.8319744578505078
Energy: 1.2840790876331476
Energy: 0.8578975863906593
Energy: 0.8123582903411942
Energy: 1.3770806340341226
Energy: 0.9427686865834652
Energy: 1.1327970669158156
Energy: 1.3786191716160636
Energy: 1.0794026960048686
Energy: 1.1217470383763637
Energy: 1.2245048879468874
Energy: 0.9280371052151805
Energy: 0.9248875672499777
Energy: 1.2239912270907496
Energy: 0.9743941115771928
Energy: 0.9269308851086847
Energy: 1.1568795028257854
Energy: 0.8693174214461377
Energy: 0.8579305977260863
Energy: 1.158563666080712
Energy: 0.9145715690012809
Energy: 0.856015901651781
Energy: 1.1518313453055324
Energy: 0.9770153580712301
Energy: 0.8754244225154043
Energy: 1.1534598043976332
Energy: 1.0592863788408582
Energy: 0.8574710576686384
Energy: 1.0734898182670085
Energy: 0.9720817385532949
Energy: 0.9796343232145532
Energy: 1.1245934439127625
Energy: 1.0771152441306473
Energy: 0.9556063023178183
Energy: 0.9142766429695733
Energy: 0.9033983669913359
Energy: 0.8886066010053225
Energy: 0.9145819206622738
Energy: 1.0948628826823295
Energy: 0.8931449576616338
Energy: 0.9727488073713708
Energy: 0.8507810530373305
Energy: 0.9035848447157777
Energy: 0.9741581822254689
Energy: 0.9067738409857513
Energy: 0.8808923926537119
Energy: 1.1033651732669016
Energy: 1.0600670664093734
Energy: 1.0655878921257558
Energy: 1.2135565409999687
Energy: 1.2651186967012398
Energy: 1.1856193593159805
Energy: 0.8682106379249092
Energy: 0.8453507053397845
Energy: 0.8249948300235745
Energy: 0.8683753020335621
Energy: 0.8230117428188037
Energy: 0.8315405557745974
Energy: 0.85785072266651
Energy: 0.8125333676714817
Energy: 0.8481744741608825
Energy: 0.8559833325236632
Energy: 0.8726772941154096
Energy: 0.8322953235213437
Energy: 0.8864849798028189
Energy: 1.1212151225327978
Energy: 1.1208531113709288
Energy: 0.8689624708722222
Energy: 1.3792018669784492
Energy: 1.2924085056077699
Energy: 0.8870129652313187
Energy: 0.8338573714049451
Energy: 0.831768206401528
Energy: 0.8872156629943686
Energy: 0.9610260521171289
Energy: 0.8811673144307899
Energy: 0.8825444032130325
Energy: 0.8671065633760315
Energy: 0.8573179502374891
Energy: 0.8820517325197927
Energy: 0.9541550800776792
Energy: 0.8641851647775327
Energy: 1.0956380456268975
Energy: 1.017709575351518
Energy: 1.0183501400145525
Energy: 1.0939518591765698
Energy: 1.183429014855822
Energy: 0.9383161421589037
Energy: 1.0222514685040236
Energy: 0.9089107212431053
Energy: 0.911733617873466
Energy: 1.02269406864725
Energy: 1.0767299297681976
Energy: 0.9095203961163072
Energy: 1.0508620441381489
Energy: 0.8735190365076424
Energy: 0.8726817635238918
Energy: 1.0516422807798993
Energy: 1.0177561789937533
Energy: 0.87230403405139
Energy: 1.2375637122457444
Energy: 0.9218854613213283
Energy: 0.9234006482616534
Energy: 1.2387426327574516
Energy: 1.0595954517537212
Energy: 0.916425101541097
Energy: 1.2643652477202703
Energy: 1.139848672447032
Energy: 1.062896689566341
Energy: 1.2662454185126293
Energy: 1.121397031452646
Energy: 1.0662838777534045
Energy: 1.2104863939548858
Energy: 0.8798903748313697
Energy: 0.8537880072114742
Energy: 1.2124496802358142
Energy: 0.882785700422081
Energy: 0.8331903160607146
Energy: 1.2370670532662413
Energy: 0.881044959921643
Energy: 0.8808820124967062
Energy: 1.2332562497026753
Energy: 0.88751177036361
Energy: 0.8455893048192892

minimum gb energy = 0.8123582903411942 eV
minimum distance =  2.39363219420949 Angstroms
sigma value = 33


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

Energy: 1.5375161496138041
Energy: 1.2350309758464344
Energy: 1.200239563084724
Energy: 1.485973325991537
Energy: 1.302849036771383
Energy: 1.235102783508748
Energy: 1.382871644150177
Energy: 0.8868522917313599
Energy: 0.8780908731358229
Energy: 1.2444044077219418
Energy: 0.8870057301961278
Energy: 0.8951517896655677
Energy: 1.2350399875093994
Energy: 0.9198457516712246
Energy: 0.8978109950855371
Energy: 1.2365042428078892
Energy: 0.885077090891024
Energy: 0.9295983586855354
Energy: 1.2612891962278268
Energy: 0.9320086619117629
Energy: 0.9530971663261448
Energy: 1.2624947400875681
Energy: 1.0811045765703458
Energy: 1.0850407081010807
Energy: 1.343628049548512
Energy: 0.9554697743158924
Energy: 0.944864613672955
Energy: 1.2188575233466756
Energy: 0.9996666336403259
Energy: 0.9422815445616436
Energy: 1.2443088816396661
Energy: 0.976099210001838
Energy: 0.9462244162033767
Energy: 1.2284470727148173
Energy: 0.9975612671000476
Energy: 0.9289302833606796
Energy: 1.2407510165400542
Energy: 0.9411277594445158
Energy: 0.9256427770880954
Energy: 1.2124828747125191
Energy: 1.1845336145810343
Energy: 0.9503944842263948
Energy: 1.1620982073788813
Energy: 0.9799041092695934
Energy: 0.9799676407854007
Energy: 1.1422986546757288
Energy: 1.0453614213995377
Energy: 0.9857221673597142
Energy: 0.9667443637292847
Energy: 0.9856189543113529
Energy: 0.9468852534779674
Energy: 0.9601903081584248
Energy: 1.106916313631385
Energy: 0.9506776944646134
Energy: 1.014814880602243
Energy: 0.9539167514122724
Energy: 0.9321212032809747
Energy: 1.011304993963559
Energy: 0.9595655775569646
Energy: 0.9641535304657471
Energy: 1.1515934345942658
Energy: 1.1670160593559633
Energy: 1.1670138316529575
Energy: 1.154835805585034
Energy: 1.4415928506943931
Energy: 1.1729653379082523
Energy: 0.9553921955238912
Energy: 0.8862775319453687
Energy: 0.8978327461226057
Energy: 0.9555542544835324
Energy: 1.2420921633454587
Energy: 0.9274613264245232
Energy: 0.938883657598613
Energy: 0.9042113332221832
Energy: 0.9274189074440793
Energy: 0.9386891863724247
Energy: 0.9612415535025608
Energy: 0.9270154415104271
Energy: 1.4892577398032376
Energy: 1.08477915233926
Energy: 1.0846641337936662
Energy: 1.4868280111121843
Energy: 1.2622024159206828
Energy: 1.084825638860687
Energy: 0.9935745253778467
Energy: 0.9434799750597108
Energy: 0.9467339773794026
Energy: 0.9963501097315752
Energy: 1.0103073690841924
Energy: 0.9371661823295125
Energy: 1.0020230173627347
Energy: 0.9379072588524665
Energy: 0.9229787852808754
Energy: 0.9967532485859324
Energy: 1.229619082545196
Energy: 0.9452821180211842
Energy: 1.2011037747606301
Energy: 0.9402555162269198
Energy: 0.9347133657964067
Energy: 1.1948630072697013
Energy: 1.190597799112105
Energy: 0.9404203246294844
Energy: 1.0463226441069091
Energy: 1.0090813113055073
Energy: 1.003565587476631
Energy: 1.0465389155960785
Energy: 1.084383076226728
Energy: 0.9615981715404072
Energy: 1.1244657110897984
Energy: 0.9543307724575736
Energy: 0.9731975420143698
Energy: 1.1254384952163028
Energy: 0.9696344002812828
Energy: 0.960199562940726
Energy: 1.2925756546536606
Energy: 0.9897018120407868
Energy: 0.950902915772971
Energy: 1.1732938174020249
Energy: 1.02399988116086
Energy: 0.9556219705826015
Energy: 1.387477571490338
Energy: 1.1591991154350227
Energy: 1.1327834072890774
Energy: 1.3891541021722538
Energy: 1.1627336656996472
Energy: 1.1280781530685744
Energy: 1.2998286806685126
Energy: 0.9238401486157642
Energy: 0.9335018548897931
Energy: 1.3020840519702184
Energy: 0.946132386309569
Energy: 0.8928456347310028
Energy: 1.2688853027128406
Energy: 0.9166796949580556
Energy: 0.920141603574032
Energy: 1.208344027642114
Energy: 0.9173503940565219
Energy: 0.9200553855445616
Energy: 1.260841036914738
Energy: 1.5089789068506778
Energy: 1.5068364032834562
Energy: 1.2601468436226657
Energy: 1.4894380149036384
Energy: 1.0842046635757114
Energy: 1.2720256247851773
Energy: 0.960084764566621
Energy: 0.9567127794194518
Energy: 1.2187825749147578
Energy: 1.004306011650881
Energy: 0.9564127504611155
Energy: 1.2540122103534563
Energy: 0.9706212026260528
Energy: 0.9699889722877458
Energy: 1.2492148137200394
Energy: 1.0009593378675867
Energy: 0.9455741235408056
Energy: 1.2654721404305924
Energy: 1.107228591132004
Energy: 1.1078875429272357
Energy: 1.2679543305407557
Energy: 1.1854541600137931
Energy: 1.106054283733526
Energy: 1.2475092373638608
Energy: 0.9578473851947911
Energy: 0.9566959616748979
Energy: 1.1766661433976586
Energy: 1.1006999092168623
Energy: 0.9796131930903378
Energy: 1.050781319708369
Energy: 0.9501902737028111
Energy: 0.9463931132646592
Energy: 1.0513697072868442
Energy: 1.0547176881693974
Energy: 0.9728793340971579
Energy: 1.0382234123742768
Energy: 0.9664943408703492
Energy: 0.9708835539388092
Energy: 1.0388368306927585
Energy: 1.026720110211421
Energy: 0.9706385717162275
Energy: 1.1430592525497356
Energy: 1.167583721125653
Energy: 1.1675576825621685
Energy: 1.1365802461909376
Energy: 1.4378373844277135
Energy: 1.1674446456193612
Energy: 0.9364007398888704
Energy: 0.8423294032307197
Energy: 0.8497744233495302
Energy: 0.9317830778389192
Energy: 1.3416312966156831
Energy: 0.9107113530481357
Energy: 0.9150204363343298
Energy: 0.8887610778406643
Energy: 0.897749486633105
Energy: 0.9098455453739411
Energy: 0.999635451982752
Energy: 0.9092856083596192
Energy: 1.4667117883961331
Energy: 1.0847474083299975
Energy: 1.0845067386699072
Energy: 1.3233131668508136
Energy: 1.2614835716429216
Energy: 1.087108904278682
Energy: 1.0057381802641363
Energy: 0.9180781694847583
Energy: 0.9207433499527564
Energy: 0.9867042698014922
Energy: 1.0368831576456663
Energy: 0.9347419217674146
Energy: 0.99127559588463
Energy: 0.9602308193143712
Energy: 0.9371769434271399
Energy: 0.9916640299499965
Energy: 1.2430833261623695
Energy: 0.9656316411841298
Energy: 1.1798847235404308
Energy: 1.1024866112202436
Energy: 1.1011365745230337
Energy: 1.0946064195364438
Energy: 1.2425923523708573
Energy: 1.1027918042740776
Energy: 1.096869658170691
Energy: 0.9895764426468427
Energy: 0.9464608153681421
Energy: 1.0978455595265182
Energy: 0.9880056288276962
Energy: 0.9771977120964952
Energy: 1.0455470890192684
Energy: 1.0096392628709319
Energy: 0.9325053965485756
Energy: 1.0449651760515672
Energy: 0.9976262365738771
Energy: 0.9778419656002835
Energy: 1.2482432364736704
Energy: 0.9589850563182364
Energy: 0.9251087921976968
Energy: 1.11029646061365
Energy: 0.9378207831272442
Energy: 0.9831543567977193
Energy: 1.3496647103272081
Energy: 0.9797522013051826
Energy: 0.8116701202376392
Energy: 1.3060204446532389
Energy: 0.9661941645246906
Energy: 0.8487952172448047

minimum gb energy = 0.8116701202376392 eV
minimum distance =  2.30566884201511 Angstroms
sigma value = 51


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

Energy: 1.2922855686858594
Energy: 1.4028637372242536
Energy: 1.3935049252919975
Energy: 1.294699383292516
Energy: 1.5381010191105526
Energy: 1.1008995582340624
Energy: 1.2251410523542512
Energy: 0.8979029598055993
Energy: 0.8955423217629319
Energy: 1.2026839329040595
Energy: 0.8952216814478715
Energy: 0.8885929292631359
Energy: 1.2004432745273415
Energy: 0.8746345965301481
Energy: 0.8745566048382443
Energy: 1.2026342516601483
Energy: 0.8744216472614785
Energy: 0.8098035987556823
Energy: 1.1675761722679252
Energy: 1.0170095638189054
Energy: 1.017112761658698
Energy: 1.168019777188261
Energy: 0.9944514542685033
Energy: 1.0428921833312161
Energy: 1.2627034725022452
Energy: 0.9769707224507956
Energy: 0.977082359228032
Energy: 1.2626971519803574
Energy: 1.0403711901075454
Energy: 0.9308888120265203
Energy: 1.0719782267365472
Energy: 0.9649485208996649
Energy: 0.9590608210787275
Energy: 1.0710963419290749
Energy: 0.9943991024063283
Energy: 0.9791881470278669
Energy: 0.9999195837093041
Energy: 0.8825971881694491
Energy: 0.9763050667916028
Energy: 0.9999370104285761
Energy: 1.1488525318399223
Energy: 0.9666009357261477
Energy: 1.1177485206384867
Energy: 1.0677826682940303
Energy: 1.067976249939314
Energy: 1.1187354618809986
Energy: 1.0673339855776474
Energy: 1.0678918873546537
Energy: 0.8743463013328504
Energy: 0.888430114962612
Energy: 0.8531061493265787
Energy: 0.8744441245708691
Energy: 0.9470797495649866
Energy: 0.8098928871050245
Energy: 0.8959166421349901
Energy: 0.7798684396079828
Energy: 0.8526200251996487
Energy: 0.8959310436489564
Energy: 0.822301474291311
Energy: 0.8953592352839751
Energy: 0.888533654031833
Energy: 1.2487477553433346
Energy: 1.2486536460161997
Energy: 0.8882368745776266
Energy: 1.2481339549640897
Energy: 1.2485830180461943
Energy: 0.9427657317259456
Energy: 0.8610368496779964
Energy: 0.8528507400529978
Energy: 0.9427291651601798
Energy: 1.1685161299435665
Energy: 0.8894532515535951
Energy: 0.8927923726869861
Energy: 0.8888217779336312
Energy: 0.842341990816069
Energy: 0.8937071704399714
Energy: 1.1798249175137512
Energy: 0.8900461907474699
Energy: 1.0057308244291598
Energy: 1.0444304140298928
Energy: 1.0439692944497365
Energy: 1.0323154922442452
Energy: 1.0719058512737063
Energy: 1.0436438410570346
Energy: 1.1086432202720797
Energy: 0.9082953617986791
Energy: 1.0038821521603092
Energy: 1.1102468707890776
Energy: 1.1099120206882065
Energy: 0.9511095824926645
Energy: 1.0400770722655295
Energy: 0.9214185116008938
Energy: 0.9262118217445169
Energy: 1.0401009885516888
Energy: 0.9544351019539358
Energy: 0.9860802922112651
Energy: 1.2145577872316886
Energy: 0.8896391938653768
Energy: 0.8897326075274028
Energy: 1.0723361524393664
Energy: 0.8936972916070011
Energy: 0.8591792542884988
Energy: 1.3187472152381108
Energy: 0.9214710785053543
Energy: 0.9073729643640817
Energy: 1.314661756108852
Energy: 0.9426873906159079
Energy: 0.9071049353124557

minimum gb energy = 0.7798684396079828 eV
minimum distance =  2.37905249452013 Angstroms
sigma value = 19


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

Energy: 1.1399367655240362
Energy: 0.9550124389937491
Energy: 0.9624395524341007
Energy: 1.0701763597722778
Energy: 1.2141918136308871
Energy: 1.020116746209299
Energy: 1.2009897985061553
Energy: 0.8334938357526311
Energy: 0.8334443537631342
Energy: 1.0925725304842955
Energy: 0.8335916815546126
Energy: 0.8748922512323793
Energy: 1.254729069654526
Energy: 0.9116693608851026
Energy: 0.8829932228049735
Energy: 1.1462004268298873
Energy: 0.8712692777719024
Energy: 0.9445263982843543
Energy: 0.9573049117484768
Energy: 0.9773173983507137
Energy: 1.047521202814064
Energy: 0.9553681914025459
Energy: 1.0499773682174218
Energy: 0.9447936855800989
Energy: 1.3060739191812962
Energy: 0.9005158673141511
Energy: 0.898570514212185
Energy: 1.263020356356749
Energy: 0.944326555503227
Energy: 0.9036452069704979
Energy: 1.0100431120907467
Energy: 0.8648960102217828
Energy: 0.9774916104228253
Energy: 1.011546218241563
Energy: 0.8648902033257702
Energy: 0.9781638912829541
Energy: 1.0558854345102104
Energy: 0.9774500719249561
Energy: 0.973919804495508
Energy: 1.0576465301084665
Energy: 1.154464421608636
Energy: 0.9196756484715589
Energy: 1.0104236857993925
Energy: 0.9639340454979624
Energy: 0.9638848061172264
Energy: 1.0181312994136993
Energy: 1.0693174713829983
Energy: 0.9637354810734978
Energy: 0.9055935221194585
Energy: 0.7278718944427292
Energy: 0.7277918459735659
Energy: 0.9055267262327791
Energy: 1.1396127679521737
Energy: 0.7816893436267848
Energy: 0.8857106782593671
Energy: 0.9804714076073213
Energy: 0.8755440280649225
Energy: 0.885786856862423
Energy: 1.1234489021726781
Energy: 0.8920080904304116
Energy: 1.3385076252484236
Energy: 0.9552199636439392
Energy: 0.9174138810513991
Energy: 1.3368120756830888
Energy: 0.9571042373496182
Energy: 1.4372909696880551
Energy: 1.1083528012233723
Energy: 1.0739143953014798
Energy: 1.0101659763416373
Energy: 0.9781930502343019
Energy: 1.0572226129030915
Energy: 0.9924930068229492
Energy: 0.8111257411519132
Energy: 0.8994878898482547
Energy: 0.9576143351883508
Energy: 0.811097206705875
Energy: 1.0589905487469768
Energy: 0.9803513265518655
Energy: 1.0540573203689847
Energy: 0.9767456009595168
Energy: 0.9813395491746186
Energy: 1.0044111563738118
Energy: 1.0167746779583686
Energy: 0.9807519344780776
Energy: 1.1417663778229328
Energy: 1.0374843991051492
Energy: 1.0411939247094335
Energy: 1.1435826252376298
Energy: 0.8958398125784139
Energy: 0.9232071263574833
Energy: 1.0689102759083418
Energy: 0.917496938693452
Energy: 0.9308821060630812
Energy: 1.069159905882931
Energy: 0.9284346854689601
Energy: 0.9637075019727211
Energy: 1.2146112972244918
Energy: 0.8865306413526144
Energy: 0.8866195412286911
Energy: 1.1492768375593219
Energy: 0.8865537535364155
Energy: 0.8939043782066851
Energy: 1.0005368672816188
Energy: 0.9207508794756839
Energy: 0.9209992139326008
Energy: 1.0008842781231504
Energy: 0.9204470431946614
Energy: 0.9303691199681805
Energy: 0.9551396980129422
Energy: 0.9357452137048523
Energy: 1.0273646007480661
Energy: 0.9554403452269424
Energy: 0.9977104772584359
Energy: 1.0263142537381744
Energy: 1.0592270030637485
Energy: 0.8109138998464493
Energy: 0.9347539015886034
Energy: 1.1204346345571434
Energy: 0.8109210580224877
Energy: 0.93504042975021
Energy: 1.0148232669034092
Energy: 1.0057513807825864
Energy: 0.9847203907043967
Energy: 1.0154534613921302
Energy: 0.9864119991505365
Energy: 0.9800719061654973
Energy: 1.058066058651588
Energy: 0.9465412335417607
Energy: 1.0000359872204418
Energy: 1.0579991915602027
Energy: 1.1197423810656946
Energy: 1.0141650309938286
Energy: 1.078596030824805
Energy: 0.9630394875925439
Energy: 0.9631606860031108
Energy: 1.0517708743425302
Energy: 1.0694999859221768
Energy: 0.9628273619530965
Energy: 0.8843739151787932
Energy: 0.8764220497746992
Energy: 0.8830140473029088
Energy: 0.8853095419350344
Energy: 1.1419184562892342
Energy: 0.8825592359810416
Energy: 0.9216707440253081
Energy: 0.9915198136671127
Energy: 0.9300155461936834
Energy: 0.9226119685801955
Energy: 1.0025008007814307
Energy: 0.9191695194390662
Energy: 1.0342313580639502
Energy: 0.9552886120219165
Energy: 0.9169164227469452
Energy: 1.0397098061852936
Energy: 0.9554260823688561
Energy: 1.0661362169591808
Energy: 1.0533423372061184
Energy: 0.9838888602930721
Energy: 0.9507167608045759
Energy: 1.0324187752621772
Energy: 1.0773114414838962
Energy: 0.9390006645693544
Energy: 0.8109065941675335
Energy: 0.991477529061382
Energy: 0.9776752176100112
Energy: 0.8109868105242336
Energy: 1.0410193726070878
Energy: 0.9342722951394065
Energy: 1.148803192295285
Energy: 0.8943808044656949
Energy: 0.9392874083069329
Energy: 0.9377098292305057
Energy: 0.9998813328942424
Energy: 0.8968266851946692
Energy: 1.141248409832309
Energy: 0.98300527238488
Energy: 0.943493164578022
Energy: 1.0689317420796842
Energy: 0.952596355315823
Energy: 1.0269086412094195

minimum gb energy = 0.7277918459735659 eV
minimum distance =  2.32668044910319 Angstroms
sigma value = 27


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

Energy: 0.9041349183619809
Energy: 1.2216452701387015
Energy: 1.3085473853757381
Energy: 0.906532900594606
Energy: 1.5100861138287116
Energy: 1.308715558446556
Energy: 1.100700965121138
Energy: 0.8314725456437715
Energy: 0.8314180652133918
Energy: 0.9885681675284579
Energy: 0.8315433231111226
Energy: 0.8312052796509926
Energy: 0.8853905336779477
Energy: 0.7810931172803978
Energy: 0.7812493582365598
Energy: 0.885511189813745
Energy: 0.7822833883364279
Energy: 0.7812624928005385
Energy: 1.133436825966131
Energy: 1.0007713681389572
Energy: 1.0027263463486416
Energy: 1.2567244600354206
Energy: 1.0353722332352662
Energy: 1.0034256524582645
Energy: 0.9867910419920126
Energy: 0.8579195680342464
Energy: 0.748641707669072
Energy: 0.9856181171710717
Energy: 0.9761797834567224
Energy: 0.7452130613037664
Energy: 0.8149024645767998
Energy: 0.866576096309273
Energy: 0.8662947183576203
Energy: 0.8149502010517765
Energy: 0.9064979860637478
Energy: 0.8414240500389042
Energy: 0.8207511800924148
Energy: 0.6896046597924967
Energy: 0.7169141451680485
Energy: 0.8207589733615854
Energy: 0.8157651098240779
Energy: 0.8199670233180094
Energy: 0.8313972469672586
Energy: 1.0887988810313078
Energy: 1.0898783994122978
Energy: 0.8312822263835196
Energy: 1.2244117923855657
Energy: 1.0508882201724246
Energy: 0.9831159067410027
Energy: 0.9977916154025327
Energy: 0.7327931562925425
Energy: 0.9895184883897932
Energy: 1.2531084589782713
Energy: 0.7559056311641472
Energy: 0.856690968391981
Energy: 0.8496805142464317
Energy: 0.8203268199698468
Energy: 0.8576214824561661
Energy: 0.8850403137750313
Energy: 0.8065392179080099
Energy: 0.8855099622884872
Energy: 0.8048271911404137
Energy: 0.8060565289575778
Energy: 0.8858987793877737
Energy: 0.8208046677863964
Energy: 0.805926139415782
Energy: 1.042723006786273
Energy: 0.8314985647469206
Energy: 0.832392750466345
Energy: 0.976694853995827
Energy: 0.9057406927023337
Energy: 0.7614406680697071

minimum gb energy = 0.6896046597924967 eV
minimum distance =  2.36076333971968 Angstroms
sigma value = 9


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

Energy: 1.4464832701017927
Energy: 1.4557937833403904
Energy: 1.2423905007688982
Energy: 1.448088938061211
Energy: 1.6369663680001079
Energy: 1.24768320381435
Energy: 0.9013998262725825
Energy: 0.6900433132722437
Energy: 0.690067909919953
Energy: 0.8186241119445214
Energy: 0.6909816509095434
Energy: 0.7957414508459898
Energy: 0.7037899877659171
Energy: 0.6656240719669018
Energy: 0.665905506722302
Energy: 0.759778716479746
Energy: 0.6668068053597246
Energy: 0.6659813269895318
Energy: 0.9162984238421057
Energy: 0.721470248993618
Energy: 0.7849558545708861
Energy: 0.9174109648510159
Energy: 0.8181021703522551
Energy: 0.7957401340279426
Energy: 0.808141170172444
Energy: 0.7655283094331984
Energy: 0.7019157555260501
Energy: 0.9383393428819746
Energy: 0.9682554752521045
Energy: 0.7427380518583743
Energy: 0.7190939537867952
Energy: 0.9769272841822876
Energy: 0.8454077862653897
Energy: 0.718895458877092
Energy: 1.0811752935971222
Energy: 0.6972034658823747
Energy: 0.6873348131753494
Energy: 0.634672023110403
Energy: 0.7044527889581956
Energy: 0.6883989391567669
Energy: 0.9066558223648552
Energy: 0.6882700413688014
Energy: 0.6988326281678922
Energy: 0.8516266950694126
Energy: 0.8763025139627207
Energy: 0.699310808102513
Energy: 0.906796872722929
Energy: 0.6994460968498355
Energy: 0.9453450938616985
Energy: 0.7047321588593521
Energy: 0.7976164633758
Energy: 0.9472887665011516
Energy: 0.8674845876897099
Energy: 0.8237509874652331
Energy: 1.0928211367343188
Energy: 0.7431038633462843
Energy: 0.7913463406969812
Energy: 1.0940202283874538
Energy: 0.973592306136671
Energy: 0.886694971779118
Energy: 0.6660116170418692
Energy: 0.6991601518030753
Energy: 0.6990695179524347
Energy: 0.7832187798625896
Energy: 0.6991372437250758
Energy: 0.6989528636058682
Energy: 0.944115240294052
Energy: 0.7198584206270097
Energy: 0.7196108156313032
Energy: 0.9450952820194778
Energy: 0.7198771836901043
Energy: 0.7755347254240517
Energy: 1.2642068660662658
Energy: 1.3110005977754695
Energy: 1.1113118886889024
Energy: 1.2660526603470876
Energy: 1.3108699573542977
Energy: 1.1127882113395182
Energy: 1.0040396273944054
Energy: 0.7344701149037255
Energy: 0.7340313516164856
Energy: 0.9956960582483257
Energy: 0.8663792691519734
Energy: 0.7814999299237885
Energy: 0.7805370575212203
Energy: 0.717487146291625
Energy: 0.7210248383159015
Energy: 0.7806444388963927
Energy: 0.7359843896817339
Energy: 0.8509884430975784
Energy: 0.6725603074600629
Energy: 0.6842633513983957
Energy: 0.6542422807882393
Energy: 0.6719137608381436
Energy: 0.6931693768613888
Energy: 0.6714136321727181
Energy: 0.6894626405538935
Energy: 0.7665303547131402
Energy: 0.7194786666712806
Energy: 0.6893629494289703
Energy: 1.118819836194416
Energy: 0.6911567543452746
Energy: 0.8108678250739412
Energy: 1.111649088246788
Energy: 0.7914900730331855
Energy: 0.8109046367297814
Energy: 1.2692311645928764
Energy: 0.7851561846245572
Energy: 0.6863391016266364
Energy: 0.6657711662629098
Energy: 0.6757068406951954
Energy: 0.6865165138905496
Energy: 0.7141463255379611
Energy: 0.7055702236634848
Energy: 0.700605857033804
Energy: 0.6958916404041446
Energy: 0.6954050532767299
Energy: 0.7014530047298453
Energy: 0.6850432564304612
Energy: 0.6955284712701533
Energy: 0.7031705813916385
Energy: 0.6832508994379118
Energy: 0.6834016723806379
Energy: 0.6997826482825392
Energy: 0.6867759712368863
Energy: 0.6938208944202862
Energy: 1.4484314350641787
Energy: 0.6902806875198689
Energy: 0.7330942900819621
Energy: 1.4502391540608983
Energy: 0.8085147570677513
Energy: 1.1327030757264123
Energy: 1.1579313622319436
Energy: 0.6895593729458768
Energy: 0.6895537036309421
Energy: 1.0228608701044628
Energy: 0.6887744613605479
Energy: 0.7935190865895961
Energy: 0.8045829260550865
Energy: 0.6663013324412488
Energy: 0.6661268165559248
Energy: 0.8048828984772032
Energy: 0.6661145834419586
Energy: 0.6664247746179048
Energy: 0.9079667884881003
Energy: 0.7798140605195544
Energy: 0.8509423036241618
Energy: 0.9092751740171692
Energy: 0.7794157006418689
Energy: 0.8510711341385889
Energy: 0.866837454984706
Energy: 0.6993857878475096
Energy: 0.7471938786097501
Energy: 0.9344089932772736
Energy: 0.8512448126947685
Energy: 0.7662034930667738
Energy: 1.3357981275457165
Energy: 0.9796594414848429
Energy: 0.9767842426150877
Energy: 1.335659425757377
Energy: 1.08356872485351
Energy: 1.276435714899928
Energy: 0.7195694707715421
Energy: 0.8830855852719918
Energy: 0.7401264073064776
Energy: 0.7197984036460705
Energy: 0.9599513310520212
Energy: 0.7197485071712172
Energy: 0.699310439628904
Energy: 0.7614851545992755
Energy: 0.699668642234833
Energy: 0.6991424442165909
Energy: 0.8769771149866598
Energy: 0.699660139634736
Energy: 1.0653380392742808
Energy: 0.8530714787843146
Energy: 0.8639421007970304
Energy: 0.9723093665307744
Energy: 0.9066019207506284
Energy: 0.8607408605131572
Energy: 0.6658371449763175
Energy: 0.7203615762444705
Energy: 0.7921252770016388
Energy: 0.6659793279841529
Energy: 0.9386542059061717
Energy: 0.8770076271545494
Energy: 1.085846979061846
Energy: 0.8038391578912284
Energy: 0.8038146897790566
Energy: 1.0872088141351723
Energy: 0.803968669345414
Energy: 0.9817173237615497
Energy: 0.970631073453645
Energy: 0.7040556171175483
Energy: 0.7038595919009263
Energy: 0.9440739242543927
Energy: 0.7043479475002165
Energy: 0.7038352813251897
Energy: 1.270272845113926
Energy: 0.7199427037592888
Energy: 0.7199257190639501
Energy: 1.2717146276793168
Energy: 0.7200277995079902
Energy: 0.9961877613639589
Energy: 0.9174452597224536
Energy: 0.7192935269601249
Energy: 0.7193892658998189
Energy: 0.9723943379963389
Energy: 0.8571749782459032
Energy: 0.8366730142626305
Energy: 0.8180855622108701
Energy: 0.7172884376169473
Energy: 0.8064822219520619
Energy: 0.8180934495587544
Energy: 0.7324927862499329
Energy: 0.7991501901715912
Energy: 0.6658807059039996
Energy: 0.7215133767698607
Energy: 0.6982913378260374
Energy: 0.6671545347849087
Energy: 0.7615627447577692
Energy: 0.6661990187960039
Energy: 0.6899310918935794
Energy: 0.728403147448212
Energy: 0.8005962869583829
Energy: 0.690072430521265
Energy: 0.69366386072019
Energy: 0.6916372235089389
Energy: 1.6510517384520578
Energy: 1.110853129612111
Energy: 1.1131703565493465
Energy: 1.6511731017886908
Energy: 1.2658451467989604
Energy: 1.4040044506008673
Energy: 0.6873356465405095
Energy: 0.7163887979213531
Energy: 0.7181535820195135
Energy: 0.7916463838226594
Energy: 0.7198103060929605
Energy: 0.7061942600301988
Energy: 0.6851930979845784
Energy: 0.6813641344066561
Energy: 0.660427764138664
Energy: 0.6846759704063857
Energy: 0.7033659323554023
Energy: 0.6792231353091842
Energy: 0.702092467755351
Energy: 0.6791690488001251
Energy: 0.6797130113070887
Energy: 0.702029767136336
Energy: 0.684754707187781
Energy: 0.6797823553274273
Energy: 1.1577025010004356
Energy: 0.6896800160866727
Energy: 0.6899124561433213
Energy: 1.1605311548565949
Energy: 0.6889978682883389
Energy: 0.7733699787953789

minimum gb energy = 0.634672023110403 eV
minimum distance =  2.35234694318107 Angstroms
sigma value = 57


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

Energy: 0.2966895736602686
Energy: 0.3070406264830109
Energy: 0.30643339104492134
Energy: 0.29928009869569
Energy: 0.31781930727578084
Energy: 0.29739338236736423
Energy: 0.2975683783085842
Energy: 0.3374391853782452
Energy: 0.31416488267183473
Energy: 0.33518318988430934
Energy: 0.33644854184126316
Energy: 0.31436450359675633
Energy: 0.37763338260021845
Energy: 0.33852156070898465
Energy: 0.33874950397599374
Energy: 0.3771714202520788
Energy: 0.3388720029328764
Energy: 0.3381131307158984
Energy: 0.3773358716357525
Energy: 0.3387498408001173
Energy: 0.33883823726877094
Energy: 0.37722188980544846
Energy: 0.3779075541733587
Energy: 0.33829963983439143
Energy: 0.3737195397427335
Energy: 0.2980098998235681
Energy: 0.327132544819729
Energy: 0.37425648781987947
Energy: 0.2976803951992717
Energy: 0.34847276917836495
Energy: 0.33895975477426343
Energy: 0.2976374861694637
Energy: 0.297698967681669
Energy: 0.33885833811709404
Energy: 0.2974887197731303
Energy: 0.32678442263578694
Energy: 0.3339191873782975
Energy: 0.3136355468500243
Energy: 0.3496635339818345
Energy: 0.3345259144874053
Energy: 0.3378908933311949
Energy: 0.3500775595626099
Energy: 0.9719920435342448
Energy: 1.0001484564966276
Energy: 0.999815295143781
Energy: 0.9713950838080867
Energy: 1.194264842754086
Energy: 0.9692502486446186
Energy: 0.37323382531038846
Energy: 0.3834136633759297
Energy: 0.33792596162345284
Energy: 0.3740440422594429
Energy: 0.3769712902748382
Energy: 0.33797861235256704
Energy: 0.29736836468750544
Energy: 0.37723633106327814
Energy: 0.3293020717613405
Energy: 0.29746924959279386
Energy: 0.37680977212118677
Energy: 0.32812566842032903
Energy: 0.2974090260449845
Energy: 0.3384816971259422
Energy: 0.31460912929112456
Energy: 0.2975858333577137
Energy: 0.3385168172988393
Energy: 0.3271735830086578
Energy: 0.3753223484744288
Energy: 0.33753532264706493
Energy: 0.3526327392691937
Energy: 0.37612438070596244
Energy: 0.33696741226913557
Energy: 0.35266404401906093
Energy: 1.195744446854221
Energy: 0.9969537316537646
Energy: 0.9962520244536974
Energy: 1.1958878403675526
Energy: 0.9706560422932319
Energy: 0.9977047362442816
Energy: 0.37427591684773204
Energy: 0.3374643626414856
Energy: 0.35242653739241664
Energy: 0.37475950933414653
Energy: 0.3366242728056534
Energy: 0.3524773725625235
Energy: 0.377322507877014
Energy: 0.2973949857898693
Energy: 0.2974166203098948
Energy: 0.37760828411022984
Energy: 0.2974514932896334
Energy: 0.297906497885932
Energy: 0.3366754604574245
Energy: 0.3365527024376879
Energy: 0.31434927444075983
Energy: 0.3368996982852074
Energy: 0.2976976395058668
Energy: 0.3142309872596269
Energy: 0.3387124879963586
Energy: 0.338172986787772
Energy: 0.33800559720313106
Energy: 0.33857582429932104
Energy: 0.336774678728296
Energy: 0.3379527463209097
Energy: 0.3786790656950152
Energy: 0.3842131064184892
Energy: 0.33857661096538333
Energy: 0.37686312243659614
Energy: 0.379970939524596
Energy: 0.3386690704507615
Energy: 0.29747347835712407
Energy: 0.33813411582552927
Energy: 0.3488094231189272
Energy: 0.29762891130694163
Energy: 0.37450329093445217
Energy: 0.3500155430618885

minimum gb energy = 0.2966895736602686 eV
minimum distance =  2.42546988858226 Angstroms
sigma value = 11


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

Energy: 1.2034503065582913
Energy: 1.3947115380729573
Energy: 1.19643282610816
Energy: 1.2056636657145652
Energy: 1.568309909896188
Energy: 1.2785249397953073
Energy: 0.7556058128960098
Energy: 0.5320170383792765
Energy: 0.5686364963495348
Energy: 0.5705561010629739
Energy: 0.535757616120753
Energy: 0.5672369129142516
Energy: 0.5397897274220207
Energy: 0.5601687337907887
Energy: 0.5535556502998691
Energy: 0.5403946672881362
Energy: 0.5652127060663549
Energy: 0.5567180755892788
Energy: 0.5393461894719496
Energy: 0.5874023665673905
Energy: 0.6137438457577831
Energy: 0.5406280207991901
Energy: 0.5368439323502323
Energy: 0.5505937846604843
Energy: 0.5317025131563081
Energy: 0.7189788341175204
Energy: 0.7283933664863029
Energy: 0.5316196627647184
Energy: 1.0202482141487788
Energy: 0.6025446521754106
Energy: 0.8577183515222347
Energy: 1.1786991050692857
Energy: 1.1709635283180089
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Energy: 0.6678029016368544
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Energy: 0.7433726351548775
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Energy: 0.6305825263844935
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Energy: 0.6338923183708614
Energy: 0.7344672499330994
Energy: 0.7586506649531156
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Energy: 0.624101479918813
Energy: 0.5360189176149024
Energy: 0.616935571263912
Energy: 0.6236865163672666
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Energy: 0.7910345831712493
Energy: 0.7878072094274611
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Energy: 1.0396703337789845
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Energy: 0.6865173061457974
Energy: 0.6874946565336402
Energy: 0.7205257330388236
Energy: 0.8763464394895176
Energy: 0.7482115992859634
Energy: 0.9055654394897148
Energy: 0.9628850929292884
Energy: 0.95274189872132
Energy: 1.0790923023158512
Energy: 0.9701880701438524
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Energy: 1.0384075213989579
Energy: 0.7189736049836444
Energy: 0.6920953689316863
Energy: 1.039514902333873
Energy: 0.9492457670003119
Energy: 0.8987988646618219
Energy: 0.9050977826599945
Energy: 1.070875615433037
Energy: 1.0124299348179828
Energy: 0.9073205431546991
Energy: 1.1461272816962307
Energy: 1.0561744659747656
Energy: 1.0582463948401057
Energy: 0.7501060059656944
Energy: 0.747136208500934
Energy: 0.9096117377865901
Energy: 0.732571193337794
Energy: 0.7094004128392266
Energy: 0.9948980945182353
Energy: 0.7329261570908461
Energy: 0.7451835620651748
Energy: 0.7127127660450885
Energy: 0.7365536640816561
Energy: 0.7221814297475814
Energy: 0.7543067471897444
Energy: 0.8564783365780985
Energy: 0.9510501593816336
Energy: 0.7559361207000923
Energy: 0.8530041235530719
Energy: 0.9498258746225468
Energy: 0.9902681583998543
Energy: 0.6868365764224111
Energy: 0.6580829146356306
Energy: 0.7777121344422542
Energy: 0.9851130200050041
Energy: 0.7606385217471852
Energy: 1.2544109540767598
Energy: 1.0836739995394162
Energy: 1.0616572277811247
Energy: 1.295525484463291
Energy: 1.0810790134320147
Energy: 1.2484018095769929
Energy: 0.6150623728885141
Energy: 0.6553549083305391
Energy: 0.6549718438942836
Energy: 0.6156403642648457
Energy: 0.7963125261960421
Energy: 0.6258357843351201
Energy: 0.6328482690577124
Energy: 0.7091640776250063
Energy: 0.6295736642258674
Energy: 0.6342948844415095
Energy: 0.6989931285424124
Energy: 0.6293940759178439
Energy: 0.6278672694976897
Energy: 0.5516459677045037
Energy: 0.5502752306644827
Energy: 0.6288348288988355
Energy: 0.5368478849086961
Energy: 0.7236601181490812
Energy: 1.2990580224158597
Energy: 0.5319826502640435
Energy: 0.6029838883752442
Energy: 1.1508579788719098
Energy: 0.7581454832062261
Energy: 0.5504446727147093

minimum gb energy = 0.5203537061421466 eV
minimum distance =  2.38550241685389 Angstroms
sigma value = 41


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

Energy: 1.1670910288243148
Energy: 1.279008853528196
Energy: 1.2798585911523812
Energy: 1.1688463764203865
Energy: 1.503774585201891
Energy: 1.0365042931272666
Energy: 0.9071704371815975
Energy: 0.5888352339756765
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Energy: 0.6269589567505062
Energy: 0.588774148329092
Energy: 0.6290888238788005
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Energy: 0.6195906104516233
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Energy: 0.5976023864893081
Energy: 0.6302250229342423
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Energy: 0.5961069465706629
Energy: 0.6314639454525437
Energy: 0.6907926245845164
Energy: 0.5953196395667936
Energy: 0.5946609638964641
Energy: 0.700781157284105
Energy: 0.5932562393856479
Energy: 0.7776650429111374
Energy: 0.7859551822562578
Energy: 0.593120175632881
Energy: 0.8514750895569445
Energy: 0.7276897173416913
Energy: 1.0208544051136972
Energy: 1.1690021412604805
Energy: 1.1588273866535552
Energy: 1.02186245249326
Energy: 1.1642050468936984
Energy: 1.1589096885182693
Energy: 0.8992430217040195
Energy: 0.7198486354473537
Energy: 0.6830244331198208
Energy: 0.5948887079660852
Energy: 0.7220444193602522
Energy: 0.6773858117048798
Energy: 0.7030064977772612
Energy: 0.7599094644604345
Energy: 0.7600583034177514
Energy: 0.7027949499340727
Energy: 0.7597478799970862
Energy: 0.693370860896059
Energy: 0.8986774793654396
Energy: 0.6843211718723796
Energy: 0.701646710676416
Energy: 0.6829769917023011
Energy: 0.6838769286638521
Energy: 0.7015077185700435
Energy: 0.9351804073989612
Energy: 0.9924362226381107
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Energy: 0.9303051334620345
Energy: 0.9923982469809232
Energy: 0.9922259438095392
Energy: 0.8589062697549822
Energy: 0.5911523023445296
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Energy: 0.7246650667557207
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Energy: 0.6413569420154516
Energy: 1.0456150805010531
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Energy: 0.685882449708094
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Energy: 1.0329853355305891
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Energy: 0.7604818079167822
Energy: 0.8957175813179363
Energy: 0.7424076311957676
Energy: 0.8775371597629654
Energy: 0.5950310789529105
Energy: 0.631889491906956
Energy: 0.8775220045825171
Energy: 0.5950327528693392
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Energy: 1.1663442858304804
Energy: 0.9630863881866942
Energy: 1.2763881779129724
Energy: 1.1686641295532874
Energy: 0.9566906554931427
Energy: 0.980659174342079
Energy: 1.1972619731124925
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Energy: 0.6293263789191842
Energy: 1.104058312177387
Energy: 0.5888504528357957
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Energy: 0.5949593548404514
Energy: 0.6179145393819785
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Energy: 0.5948115154734233
Energy: 0.5952717558719298
Energy: 0.6917291611862267
Energy: 0.6408241985353988
Energy: 0.6437988956801839
Energy: 0.6397436681070777
Energy: 0.6297148001078735
Energy: 0.6176937065188511
Energy: 0.6188346563819941
Energy: 0.591412888404216
Energy: 0.7330704502204664
Energy: 0.6904925482938107
Energy: 0.5915943071033158
Energy: 0.6270700980694716
Energy: 0.6781280631784901
Energy: 1.5052742412361224
Energy: 1.1593255123083068
Energy: 1.1754163610253745
Energy: 1.5043949629880198
Energy: 1.159556073348301
Energy: 1.0947750872976487
Energy: 0.8983450701808436
Energy: 0.7550169965449798
Energy: 0.7549273693745573
Energy: 0.5921663682246551
Energy: 0.8597118723271041
Energy: 0.6781285553730237
Energy: 0.7024264571620434
Energy: 0.741324275362245
Energy: 0.8697876818178315
Energy: 0.7024175380539354
Energy: 0.7409432130240489
Energy: 0.6773567486884384
Energy: 0.8990338760404019
Energy: 0.6856087177730994
Energy: 0.7017058416517927
Energy: 0.5948788673394986
Energy: 0.6858315674420904
Energy: 0.6183591870826887
Energy: 0.8595830753395206
Energy: 0.7142624589496411
Energy: 0.6155944048632026
Energy: 0.8587007096243275
Energy: 0.7140635042109191
Energy: 0.6163878254201369
Energy: 0.9301928056275179
Energy: 0.9924731059510629
Energy: 0.9925068476596618
Energy: 0.9299850782334419
Energy: 0.8170121929948171
Energy: 0.6155005221786772
Energy: 1.185412387648143
Energy: 0.6578296338684029
Energy: 0.6953789256208933
Energy: 1.1660811607856698
Energy: 0.5638933279509135
Energy: 0.6863347597037567
Energy: 1.0843498064171593
Energy: 1.0360722802842441
Energy: 1.0337542915322988
Energy: 1.0838017358446448
Energy: 1.0655656399204632
Energy: 0.9830174604830183
Energy: 0.6842722465029661
Energy: 0.7197811595116691
Energy: 0.7608844953659051
Energy: 0.6843750603000063
Energy: 0.7127878329625807
Energy: 0.6983411629485272
Energy: 0.7592874232946918
Energy: 0.854408440943412
Energy: 0.7457272911509798
Energy: 0.7599704723737772
Energy: 0.8682153738386171
Energy: 0.7603544913537232
Energy: 0.8573292780838406
Energy: 0.6173056720806321
Energy: 0.6437534230808705
Energy: 0.8572779918602339
Energy: 0.5948366133450286
Energy: 0.6374725499909389
Energy: 1.1669665840359262
Energy: 0.5901325759679674
Energy: 0.5607288308612087
Energy: 1.0608019511520368
Energy: 0.8961488228224274
Energy: 0.5576942043965408

minimum gb energy = 0.5576942043965408 eV
minimum distance =  2.39349464864253 Angstroms
sigma value = 33


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

Energy: 0.8107661949508012
Energy: 1.1066896221499758
Energy: 1.1063644654206735
Energy: 0.8127165758520039
Energy: 1.4176793204085663
Energy: 1.1053032626366095
Energy: 1.0453999754278844
Energy: 0.652975784408379
Energy: 0.6876898597621843
Energy: 0.6774904603497977
Energy: 0.6549020807373419
Energy: 0.6331475141647444
Energy: 0.7094405471771523
Energy: 0.6930078756626977
Energy: 0.6929420229378618
Energy: 0.7105125286111751
Energy: 0.6922951126732846
Energy: 0.6941775005054418
Energy: 0.7090623667979941
Energy: 0.7127845777812798
Energy: 0.6424125091110912
Energy: 0.7100342764289471
Energy: 0.6678150002824882
Energy: 0.6925201758104292
Energy: 0.7082119893689915
Energy: 0.9491048533684847
Energy: 0.693990775166761
Energy: 0.7050573919365017
Energy: 1.036990531231927
Energy: 0.6841228109951842
Energy: 0.7646795753232162
Energy: 0.9475458263863775
Energy: 0.9358356810564631
Energy: 0.7647976652317601
Energy: 1.1324619655492547
Energy: 0.9357149573031984
Energy: 0.953137807986825
Energy: 0.7103184444997708
Energy: 0.754670262564311
Energy: 0.6666929734221472
Energy: 0.6719398000020965
Energy: 0.7577131216565446
Energy: 0.7995382800786978
Energy: 0.8866398136048844
Energy: 0.6459275265619258
Energy: 0.8010555966554956
Energy: 0.888516891664799
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Energy: 0.7018480498311239
Energy: 0.6194297276720653
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Energy: 0.7128520381717253
Energy: 0.6180672295625133
Energy: 0.6167098378867911
Energy: 1.132754751853721
Energy: 0.8666665684016508
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Energy: 0.9791287544291122
Energy: 0.8661384225426135
Energy: 0.8643153369039993
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Energy: 0.6667904827551321
Energy: 0.6673103377654228
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Energy: 0.9060699314661268
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Energy: 0.6226184114686318
Energy: 0.7559431281778325
Energy: 0.9016553812783309
Energy: 1.1067673466814314
Energy: 1.1004504422390393
Energy: 0.9017775374325934
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Energy: 1.100604567547883
Energy: 0.6654281858723399
Energy: 0.6439669417238282
Energy: 0.6421854364922643
Energy: 0.6665168170851763
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Energy: 0.7764779462897672
Energy: 0.7319015752245894
Energy: 0.740312107135049
Energy: 0.7404587789271906
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Energy: 0.653277991826992
Energy: 0.6863205011153197
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Energy: 0.6648730453513412
Energy: 0.6674021054254708
Energy: 0.687590791363414
Energy: 1.1289149673968837
Energy: 0.9207523004042586
Energy: 0.8762457817795944
Energy: 1.1310185363638734
Energy: 0.9225596994846721
Energy: 0.8607628800025656
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Energy: 0.7049863750391393
Energy: 0.753153254336103
Energy: 1.0398334165364858
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Energy: 0.7570357638484047
Energy: 0.6666358716805625
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Energy: 0.6953625997863103
Energy: 0.6674448175758092
Energy: 0.800504150610177
Energy: 0.7580084281057243
Energy: 0.842014014027266
Energy: 0.756531002893988
Energy: 0.6955964196652024
Energy: 0.8430463782500618
Energy: 0.7086484653425581
Energy: 0.6182592857931712
Energy: 0.6172504288595841
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Energy: 0.8666316498357826
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Energy: 0.798856402745
Energy: 1.2794868305166585
Energy: 1.1153769071435067
Energy: 1.467948733079036
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Energy: 0.6666482785585255
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Energy: 0.6175393680834897
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Energy: 0.9873686980368587
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Energy: 0.9763651447486315
Energy: 0.6671572133684278
Energy: 0.7728779545290745
Energy: 1.4666449779424404
Energy: 0.9137548389003799
Energy: 1.1029298040173239
Energy: 1.1012035403309117
Energy: 0.9137794142431208
Energy: 1.1027605581461741

minimum gb energy = 0.6110506092805735 eV
minimum distance =  2.39741172905105 Angstroms
sigma value = 67


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

Energy: 0.9853524832340891
Energy: 0.6783218697600508
Energy: 0.6756431846427685
Energy: 0.9875270683976589
Energy: 0.729733448789305
Energy: 0.6754686455575835
Energy: 0.9820873163496443
Energy: 0.7592668369366408
Energy: 0.7036348569000217
Energy: 0.9004514638340431
Energy: 0.759280423789444
Energy: 0.7036544566437635
Energy: 0.8107956007216117
Energy: 0.6609845000373233
Energy: 0.6921113754672996
Energy: 0.8109460355446204
Energy: 0.6608430500173634
Energy: 0.6942282732768463
Energy: 0.7440602651528528
Energy: 0.6920081186795819
Energy: 0.6907236141052628
Energy: 0.744269515779339
Energy: 0.6871464421428125
Energy: 0.6868853609528615
Energy: 0.7246136379999144
Energy: 0.6882689530882659
Energy: 0.6882449258593997
Energy: 0.7248895023263857
Energy: 0.6792420573625239
Energy: 0.7256078694031501
Energy: 0.7257565608050133
Energy: 0.8275352093634264
Energy: 0.7258710035675264
Energy: 0.7257716707579616
Energy: 0.8294196655521535
Energy: 0.725823105793283
Energy: 0.8185938178193561
Energy: 0.7210348827899138
Energy: 0.679199905158144
Energy: 0.8158261623320073
Energy: 0.7262748625987402
Energy: 0.6784260440592077

minimum gb energy = 0.6608430500173634 eV
minimum distance =  2.42503271944289 Angstroms
sigma value = 3


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

Energy: 1.2509627037970623
Energy: 1.0738557122496
Energy: 1.0874661540922854
Energy: 1.252667766479763
Energy: 1.0099123299567978
Energy: 1.089439672046344
Energy: 1.0599163831581175
Energy: 1.0005198557035424
Energy: 0.9129875415955899
Energy: 0.8301228051732722
Energy: 0.9549659029466959
Energy: 0.8096582543574686
Energy: 0.9306590122719438
Energy: 0.8854119836774473
Energy: 0.8000255238305565
Energy: 0.9319903819151447
Energy: 1.0660960243782964
Energy: 0.8388810043448987
Energy: 0.7934639346166403
Energy: 0.8393286403583653
Energy: 0.8398231215497522
Energy: 0.7944325355988007
Energy: 1.0048243892416149
Energy: 0.8185122941012466
Energy: 0.7769138210815005
Energy: 0.8399351327904966
Energy: 0.8402662135611202
Energy: 0.7762409636139393
Energy: 0.9138592779047011
Energy: 0.8427839323292625
Energy: 0.8684629360226528
Energy: 0.9532909422006901
Energy: 0.8483800138386606
Energy: 0.8857663198506649
Energy: 0.8652657166633179
Energy: 0.8446812362707783
Energy: 0.9091283107504281
Energy: 0.8849330925095199
Energy: 0.8907987397180979
Energy: 0.9101792061938753
Energy: 0.8812545272991251
Energy: 0.8080246909248117
Energy: 1.177849597621379
Energy: 1.125540983691523
Energy: 0.9851427426686129
Energy: 1.179397493593949
Energy: 1.1579767768098692
Energy: 0.9823123178807218
Energy: 0.9062342308022553
Energy: 0.8276467967957575
Energy: 0.9245963574065275
Energy: 0.7807199576093268
Energy: 0.8735141473078701
Energy: 0.8062942985095316
Energy: 1.1247617880496286
Energy: 0.8281935602968069
Energy: 0.8268007923149446
Energy: 1.215358249090234
Energy: 1.2135078927729572
Energy: 1.083999633007192
Energy: 0.9040743733644532
Energy: 0.8418538035657824
Energy: 0.8472139262276444
Energy: 0.9051304110471476
Energy: 0.8563666710195788
Energy: 0.8006624534150121
Energy: 0.902646634879274
Energy: 0.8335972245079405
Energy: 0.8495861469570481
Energy: 0.8599354160565239
Energy: 0.7807847622568395
Energy: 0.8524314875007626
Energy: 0.9632120711160679
Energy: 0.7732054307400281
Energy: 0.8556918373365534
Energy: 0.9515071552231161
Energy: 0.7723543286776282
Energy: 0.8303186377083114
Energy: 0.89655773648764
Energy: 0.7709893881303443
Energy: 0.7646721550859243
Energy: 0.8978881301967186
Energy: 0.7664911441026584
Energy: 0.7961614379912478
Energy: 1.0352182558251342
Energy: 0.8531999754858529
Energy: 0.8726131063662271
Energy: 1.0359360129346376
Energy: 0.8522888059158814
Energy: 0.8237940417285082
Energy: 0.8750309344959433
Energy: 0.8293994455302277
Energy: 0.8224647727007283
Energy: 0.8757256720672076
Energy: 0.8380269012763925
Energy: 0.8341681421187073
Energy: 1.0959893428479037
Energy: 0.9600884581805974
Energy: 0.9444091912319176
Energy: 1.097631328475977
Energy: 1.3326159917462683
Energy: 1.0728356630081262
Energy: 0.8896371796703975
Energy: 0.83038757721787
Energy: 0.8327130924921882
Energy: 0.8906331595148382
Energy: 0.9803355476360385
Energy: 0.8599934614028156
Energy: 1.2162353736214921
Energy: 0.8892228937808793
Energy: 0.8527831971983731
Energy: 1.2154859181666493
Energy: 0.87612995972691
Energy: 0.8406367049332251
Energy: 1.0982512801314606
Energy: 0.8592498448919478
Energy: 0.8482697231666814
Energy: 1.0564091332310157
Energy: 0.870313768719887
Energy: 0.8443433991713327
Energy: 0.9599434482619799
Energy: 0.7845518856502876
Energy: 0.7916488971695843
Energy: 0.8492974842006852
Energy: 0.7800244337022229
Energy: 0.8449393818247896
Energy: 0.920707518671546
Energy: 0.8495729226803137
Energy: 0.8658261263811081
Energy: 0.9216737334949759
Energy: 0.9175857600303595
Energy: 0.8660602351837534
Energy: 0.7791615490992905
Energy: 0.845451399096084
Energy: 0.8216483159454765
Energy: 0.7735339357088086
Energy: 0.773993055506715
Energy: 0.7962813764117045
Energy: 0.9804307876987416
Energy: 0.8998579465222157
Energy: 0.8422594839822736
Energy: 0.9813356766565806
Energy: 1.1393585611626182
Energy: 0.9607800164511201
Energy: 0.9443685954333723
Energy: 0.891035790719509
Energy: 0.8412489292500205
Energy: 0.9454830623267902
Energy: 0.8760981384761845
Energy: 0.849007058846539
Energy: 1.256978924351824
Energy: 1.0447659713346187
Energy: 1.0303786560928934
Energy: 1.1763537623652642
Energy: 1.0441770319856103
Energy: 0.998012233825754
Energy: 1.0220162028862285
Energy: 1.0132753610747054
Energy: 1.0311463375612315
Energy: 1.0191905774240269
Energy: 1.0129701366188342
Energy: 0.9162677292379071
Energy: 0.9428979471579311
Energy: 0.8442084235707812
Energy: 0.833856837546997
Energy: 0.9437109009426511
Energy: 0.979782994318744
Energy: 0.834423921329195
Energy: 0.844616434111653
Energy: 0.8855304186643674
Energy: 0.8327536379347458
Energy: 0.8454880619480487
Energy: 1.0630903036449677
Energy: 0.8384560544600631
Energy: 0.7808778251327639
Energy: 0.8059584327201434
Energy: 0.7848696545153938
Energy: 0.782306306786228
Energy: 0.8540839979746174
Energy: 0.7612967203362604
Energy: 0.8609885917425165
Energy: 0.9574017685926484
Energy: 0.824822616869552
Energy: 0.8620100264313736
Energy: 1.0155316117837998
Energy: 0.8538719931340514
Energy: 0.7815445756292864
Energy: 0.8992633513600157
Energy: 0.877555156426907
Energy: 0.7827086290443356
Energy: 0.8883509417610436
Energy: 0.8432235207674713
Energy: 1.1755535217580189
Energy: 0.9125596055484748
Energy: 0.8903493167654577
Energy: 1.1417414921049849
Energy: 0.9189465479208255
Energy: 0.8797525918966832
Energy: 0.8809753902289355
Energy: 0.8767792522096383
Energy: 0.8748272427682581
Energy: 1.2074761417244353
Energy: 0.9618424022783919
Energy: 0.8659084064185905
Energy: 0.7870474502070114
Energy: 0.9613068322736591
Energy: 0.8483075810200134
Energy: 0.7881852201516218
Energy: 0.8485578560796532
Energy: 0.8433808237238744
Energy: 1.1096999300483048
Energy: 0.8277460471014857
Energy: 0.8266541581281871
Energy: 1.1101138544311777
Energy: 1.213459482069814
Energy: 1.01047160253424
Energy: 0.7717046020673022
Energy: 0.8440286501044558
Energy: 0.8402477971534443
Energy: 0.7722675818943127
Energy: 0.7821413876701875
Energy: 0.839398389885172
Energy: 0.9683883946370687
Energy: 0.7798979581440132
Energy: 0.8346339987543913
Energy: 0.9693066005379027
Energy: 0.8737653650940757
Energy: 0.8379881874693599
Energy: 0.8981511159389972
Energy: 0.7608247403071241
Energy: 0.7579534590490361
Energy: 0.7760033130715989
Energy: 0.770265133668886
Energy: 0.7852333791593112
Energy: 1.032301503454612
Energy: 0.8157691584440039
Energy: 0.8229256777340328
Energy: 1.0342484745811409
Energy: 0.8180127627055371
Energy: 0.8216627363754463
Energy: 0.9988843821365758
Energy: 0.894667341807774
Energy: 0.826332431333667
Energy: 1.0001206087690142
Energy: 0.8346287650403109
Energy: 0.8231224455662528
Energy: 0.9849990664014474
Energy: 0.853423331648259
Energy: 0.8814340442825512
Energy: 0.9854869920222772
Energy: 1.0422110066357415
Energy: 0.9797870906928199
Energy: 1.039832366258945
Energy: 0.881242187101775
Energy: 0.8791164878150547
Energy: 1.0404201053199102
Energy: 1.172930397980866
Energy: 1.0043057073414097
Energy: 0.8767726938155567
Energy: 0.8649763091720499
Energy: 0.8529724862567575
Energy: 0.8782634070447111
Energy: 0.9265624999462803
Energy: 0.8345105914170189
Energy: 1.1038192436576122
Energy: 0.967229354040698
Energy: 0.913507133653642
Energy: 1.1053860122284087
Energy: 0.991859436274481
Energy: 0.8433923839950966
Energy: 0.775120531159723
Energy: 0.7848713773677436
Energy: 0.7799160283234641
Energy: 0.7763991566744491
Energy: 0.7803963534121031
Energy: 0.75774111665587
Energy: 0.9212984657882262
Energy: 0.9056109646910463
Energy: 0.8644453737573282
Energy: 0.9222053567973661
Energy: 0.914088776363176
Energy: 0.8634688555470208
Energy: 0.7802075933823637
Energy: 0.854338806413214
Energy: 0.8494088831056311
Energy: 0.7810333167688578
Energy: 0.8005599369572406
Energy: 0.866232173488984
Energy: 0.8657924073123248
Energy: 0.8210092961591645
Energy: 0.8468015134276337
Energy: 0.8673127911703187
Energy: 1.1354981614808008
Energy: 0.8644490520314336
Energy: 1.0225621764375354
Energy: 0.9056889683158007
Energy: 0.825111954871495
Energy: 1.0582701423563454
Energy: 0.8936374375873455
Energy: 0.8798291583975442
Energy: 1.0593749324179962
Energy: 0.8806052502495818
Energy: 0.7679714330033729
Energy: 1.060054856572736
Energy: 0.956509235056387
Energy: 0.8482208140895777

minimum gb energy = 0.75774111665587 eV
minimum distance =  2.36369604178529 Angstroms
sigma value = 81


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

Energy: 1.3280959627687032
Energy: 0.9171149443223694
Energy: 0.8688625134112584
Energy: 1.2788891656773331
Energy: 0.960603833680735
Energy: 0.9155070097759315
Energy: 0.7537680517214143
Energy: 0.8187567332737791
Energy: 0.8130244371314894
Energy: 0.8046896805130195
Energy: 0.8185295362194495
Energy: 0.8100373475190417
Energy: 0.9659747190748246
Energy: 0.8476104596326374
Energy: 0.8412368504069766
Energy: 0.9437389205674923
Energy: 0.9249403356134465
Energy: 0.9121814751244495
Energy: 0.8172577566603157
Energy: 0.8408024011182714
Energy: 0.8798642221412616
Energy: 0.8202143917531403
Energy: 0.7535003822006436
Energy: 0.8139621122721876
Energy: 0.8254016118013455
Energy: 0.8547399701694972
Energy: 0.8598478818535927
Energy: 0.8281111834748112
Energy: 0.8298607462902228
Energy: 0.8563800832682334
Energy: 0.9452236984304865
Energy: 0.9014534886150547
Energy: 0.8944762975682814
Energy: 0.9410589106856463
Energy: 0.8965887569458846
Energy: 0.8903932207390924
Energy: 1.00513810964029
Energy: 0.8111671362541997
Energy: 0.7931219846733177
Energy: 1.0023170991934587
Energy: 0.8114143717360939
Energy: 0.862112015400972
Energy: 1.1270309180506177
Energy: 1.0130656884315785
Energy: 0.9653742633976061
Energy: 1.127816838546484
Energy: 0.9982580332952619
Energy: 0.8486589325492317
Energy: 1.0334414377830645
Energy: 0.8281376203740339
Energy: 0.8785461101100958
Energy: 1.0282254967190312
Energy: 0.8191210188679933
Energy: 0.8973379834922728
Energy: 0.9384437469532446
Energy: 0.8537408198628448
Energy: 0.8493027108496987
Energy: 0.9035142405887644
Energy: 1.0914481917988468
Energy: 0.8313975083666572
Energy: 0.8608231774116147
Energy: 0.8098264363778016
Energy: 0.8098669212731384
Energy: 0.85521292510531
Energy: 0.7092074286581834
Energy: 0.8483166068427022
Energy: 0.7546836026099726
Energy: 0.9121794055495996
Energy: 0.9076020374708148
Energy: 0.7555202024785094
Energy: 0.9400262868940406
Energy: 0.9093842385038585
Energy: 0.9253892893892838
Energy: 0.861091395166703
Energy: 0.9199345603082776
Energy: 0.9269978932366013
Energy: 0.8609872016647996
Energy: 0.8448345158276932
Energy: 0.7947480382532862
Energy: 0.8287015127489816
Energy: 0.8586622893276609
Energy: 0.8050122550014877
Energy: 0.8297068836779635
Energy: 0.8514481039615438
Energy: 1.1499135821984823
Energy: 0.9488168419177014
Energy: 0.8922846163280199
Energy: 1.1465169247854323
Energy: 0.9445840048862528
Energy: 0.8983960329645474
Energy: 0.7946945536467077
Energy: 0.8675801196650877
Energy: 0.864628598365062
Energy: 0.7956244399068307
Energy: 0.9839645441565024
Energy: 0.8680103706100702
Energy: 1.0276758585243386
Energy: 0.8009388599656838
Energy: 0.7995927034898461
Energy: 1.0238413253368013
Energy: 1.1285785541319988
Energy: 0.7915345547078902
Energy: 0.8960717127899211
Energy: 0.9020791114075086
Energy: 0.8890654900187923
Energy: 0.913911575508696
Energy: 0.9100753594675705
Energy: 0.9090188335333524
Energy: 0.7087146033053348
Energy: 0.920402946009197
Energy: 0.8050638546144294
Energy: 0.8038225478860493
Energy: 0.8790490476298456
Energy: 0.8307196747723012
Energy: 0.9600009319953683
Energy: 0.8738911405035709
Energy: 0.8098607710723122
Energy: 0.7999379358885185
Energy: 0.8814084185337142
Energy: 0.8139986342498482
Energy: 0.8961626378188823
Energy: 0.8654653346357717
Energy: 0.8552652688248759
Energy: 0.911407183834579
Energy: 0.8353238189630428
Energy: 0.8930035097675809
Energy: 0.9586054357460901
Energy: 0.8469172485695917
Energy: 0.8466532247838143
Energy: 0.9599426420846126
Energy: 0.9248204151698562
Energy: 0.8913845656313346
Energy: 0.8482451143329995
Energy: 0.8736154695814948
Energy: 0.8552357370392001
Energy: 0.8413808305547753
Energy: 0.8026831458130879
Energy: 0.8498669240396596
Energy: 0.8907959511114731
Energy: 0.9229649833123762
Energy: 0.8935663760224646
Energy: 0.8882143700669327
Energy: 1.1626718461815742
Energy: 0.8940448707014175
Energy: 0.9736346974119077
Energy: 0.8533631331901331
Energy: 0.8614627121909644
Energy: 0.9839311109495426
Energy: 0.7966792267867432
Energy: 0.8509174157213745
Energy: 1.1281026785529429
Energy: 1.0001262845045964
Energy: 0.999544414594574
Energy: 1.129087027564188
Energy: 1.0390594273704763
Energy: 0.905801691126068
Energy: 1.1379721635112212
Energy: 0.841532335103696
Energy: 0.8255751722029911
Energy: 1.0549914142681087
Energy: 0.8574078132209312
Energy: 0.9186145211640199
Energy: 1.0006007640806962
Energy: 0.8128920595241759
Energy: 0.8961518265791433
Energy: 0.9951792439391945
Energy: 0.7090707858680194
Energy: 0.8490404438689656
Energy: 0.8614213591165836
Energy: 0.8535620495512419
Energy: 0.8536141060108817
Energy: 0.8324259633302589
Energy: 1.093403102828081
Energy: 0.8493310185143262
Energy: 0.8942938089695472
Energy: 0.8816074945028043
Energy: 0.8395433650512699
Energy: 0.8891741372517065
Energy: 0.8249690529253488
Energy: 0.9036954800730073
Energy: 0.9279431263938452
Energy: 0.9356744640081783
Energy: 0.9249405649729722
Energy: 0.9291277272964874
Energy: 0.9694654233209539
Energy: 0.8472798400323153
Energy: 0.8085661359454586
Energy: 0.8514276115463818
Energy: 0.8080484523144427
Energy: 0.8214192239324352
Energy: 0.8521969263471456
Energy: 0.8510217802462601
Energy: 0.8594879859568768
Energy: 0.8590579047449983
Energy: 0.8605250866773024
Energy: 0.8937010004311867
Energy: 0.8274873608315899
Energy: 0.852606231124716
Energy: 0.7900558136790701
Energy: 0.8561413041062059
Energy: 0.8999037062531958
Energy: 0.7926128341660459
Energy: 1.0043435595489048
Energy: 0.8936003937149618
Energy: 0.8212940683782232
Energy: 0.8405265447405682
Energy: 0.878840313997973
Energy: 0.8249265545773734
Energy: 0.7798902132640165
Energy: 0.8125473862836607
Energy: 1.0511435125910926
Energy: 0.8862155250724775
Energy: 0.7917141412995979
Energy: 1.0238158689320624
Energy: 1.1258596545237485
Energy: 1.0124490956793177
Energy: 0.9574295006228292
Energy: 0.8160970740466557
Energy: 0.8220283235008049
Energy: 0.7758782907462871
Energy: 0.9606891565490291
Energy: 0.8077834542177161
Energy: 1.3288963770613795
Energy: 0.8848665389968247
Energy: 0.8754216490361241
Energy: 1.2798747376755253
Energy: 0.8846313567596825
Energy: 0.922579020426477

minimum gb energy = 0.7087146033053348 eV
minimum distance =  2.38202363976167 Angstroms
sigma value = 43


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

Energy: 1.36300816413454
Energy: 1.0458831911651443
Energy: 0.9613374134153015
Energy: 1.364883937470632
Energy: 0.9913120286923793
Energy: 0.8564290761884568
Energy: 0.8321067821589438
Energy: 0.8244464311727332
Energy: 0.8670101289339379
Energy: 0.9167167853958623
Energy: 0.8244270321589925
Energy: 0.8872396646223774
Energy: 0.9371599866744547
Energy: 0.8139822961082707
Energy: 0.8137801851935125
Energy: 0.9370435960043367
Energy: 0.8559614838130792
Energy: 0.8773781825082313
Energy: 0.8064133018923312
Energy: 0.7800422547446219
Energy: 0.7873176129518287
Energy: 0.8061951926329275
Energy: 0.9347673091649297
Energy: 0.7906320995687462
Energy: 0.7713042025268999
Energy: 0.8259783349390764
Energy: 0.837808735338212
Energy: 0.7627278809851595
Energy: 0.8028101723628842
Energy: 0.8377027290600887
Energy: 0.9296979382850358
Energy: 0.8020370179608386
Energy: 0.8377791406189979
Energy: 0.9297556697319352
Energy: 0.7672814746750353
Energy: 0.8377110525359915
Energy: 0.7517628701414016
Energy: 0.8154623199074081
Energy: 0.8154307184960755
Energy: 0.7521461578980373
Energy: 0.8155100575044446
Energy: 0.8105696658611333
Energy: 1.1487072316773315
Energy: 0.8326849205938514
Energy: 0.8918540203224457
Energy: 1.1494311220834534
Energy: 0.8283051244898346
Energy: 0.8388857128344815
Energy: 0.8253425913894603
Energy: 0.812072020644381
Energy: 0.8129099198713717
Energy: 0.8240608148989325
Energy: 1.0697084976076368
Energy: 0.8137248990478513
Energy: 1.1218876467889833
Energy: 0.9608623573984348
Energy: 0.9038345954590096
Energy: 1.1332491962223445
Energy: 0.9923908964598361
Energy: 0.9038155990979515
Energy: 1.0057992818232626
Energy: 0.9672293554376739
Energy: 0.9052889923858958
Energy: 1.0057917207617975
Energy: 0.8095498332674985
Energy: 0.9351272747125963
Energy: 1.009668338023614
Energy: 0.8609182881034425
Energy: 0.8382074685662669
Energy: 0.7413227972302776
Energy: 1.053958583019693
Energy: 0.8630904281164944
Energy: 1.1610597242556469
Energy: 0.9000569877666501
Energy: 0.8617022923383794
Energy: 0.8381470615486312
Energy: 0.899877166740926
Energy: 0.861776527584414
Energy: 0.9538362875913554
Energy: 0.8292857728473146
Energy: 0.8404264281440724
Energy: 0.7607783155974019
Energy: 0.8459997837484934
Energy: 0.8460995524182953
Energy: 0.8934486124651366
Energy: 0.8966048425602229
Energy: 0.8538733190736988
Energy: 0.893673851391311
Energy: 0.9998436952629774
Energy: 0.853509814302764
Energy: 0.7917607556800346
Energy: 0.848713142003783
Energy: 0.8074488291879854
Energy: 0.792154442666025
Energy: 0.8147604381833984
Energy: 0.7591672619292705
Energy: 0.7706197870084337
Energy: 0.8483463948578137
Energy: 0.8490549828371541
Energy: 0.7709083351760534
Energy: 0.9976268691502387
Energy: 0.8488496518209107
Energy: 0.8954253661954802
Energy: 0.8732592050792322
Energy: 0.7963652992983166
Energy: 0.9949055301786718
Energy: 0.9089967066887936
Energy: 0.8430331510533439
Energy: 1.1298526622018314
Energy: 1.0076549283353673
Energy: 0.8489016779084373
Energy: 1.00144896643516
Energy: 1.0075543668425697
Energy: 0.8045960776414197
Energy: 0.9660160598128645
Energy: 1.0295173106171853
Energy: 0.9092136446010846
Energy: 0.8680669150720682
Energy: 1.0561796419939145
Energy: 0.8746814918818657
Energy: 1.0165067842594733
Energy: 0.9294108508380802
Energy: 0.8471248002741584
Energy: 1.017637276278975
Energy: 0.9066632797733118
Energy: 0.818817637451649
Energy: 1.0066148117541662
Energy: 0.8633577123522598
Energy: 0.8632551623768386
Energy: 1.006705233538867
Energy: 1.2182703621643411
Energy: 0.8635819014339733
Energy: 0.9076376571877355
Energy: 0.774523993282974
Energy: 0.8455236550441287
Energy: 0.9080554094090194
Energy: 0.8856149865577305
Energy: 0.8461425431155448
Energy: 1.0828156461767726
Energy: 0.9927626930442607
Energy: 0.8701085231367683
Energy: 1.0609230925330928
Energy: 0.9791887219503485
Energy: 0.7900487709058038
Energy: 0.9175544324389763
Energy: 0.7719608033875404
Energy: 0.7695282308821678
Energy: 0.9177398323850247
Energy: 0.7723468406786955
Energy: 0.7957138943422948
Energy: 0.925942308598369
Energy: 0.7510778716566539
Energy: 0.8177952609444352
Energy: 0.8542129958863437
Energy: 0.751378032860084
Energy: 0.839701165678253
Energy: 0.8381848263591669
Energy: 0.8369134418588724
Energy: 0.8503375393649316
Energy: 0.8382223693810815
Energy: 0.9419988619162398
Energy: 0.84655543820192
Energy: 0.8617758222810834
Energy: 0.8336395057899065
Energy: 0.7991412957114459
Energy: 0.862333856123009
Energy: 0.8237936185775695
Energy: 0.8027038740706128
Energy: 1.009286006045801
Energy: 0.8394456849628658
Energy: 0.8402244338242637
Energy: 1.00586870312817
Energy: 1.1486955880179939
Energy: 0.838838673613707
Energy: 1.0264542935921477
Energy: 0.8242119378330424
Energy: 0.8475528665222034
Energy: 1.0266388155436268
Energy: 0.7614256904854345
Energy: 0.8122155198189962
Energy: 1.354441865756488
Energy: 1.1119177194582306
Energy: 0.9436069916529718
Energy: 1.3548787133552895
Energy: 1.1130084586742774
Energy: 0.9437012509073883

minimum gb energy = 0.7413227972302776 eV
minimum distance =  2.33018336959575 Angstroms
sigma value = 57


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

Energy: 1.112764851450878
Energy: 0.876322635385939
Energy: 0.8763275704779641
Energy: 1.114505736192012
Energy: 1.1693459821018342
Energy: 0.8767481131899206
Energy: 0.7277171189412103
Energy: 0.7925585976931381
Energy: 0.8308464004366174
Energy: 0.7921490539353466
Energy: 0.7925432295435656
Energy: 0.8297045106547786
Energy: 0.976364623288801
Energy: 0.8388034333238479
Energy: 0.7305739955195374
Energy: 0.976691618293708
Energy: 0.8392401952707017
Energy: 0.770715361952785
Energy: 0.7946123251310785
Energy: 0.8240852669540732
Energy: 0.7919353960577313
Energy: 0.7920074235649049
Energy: 0.8139957592617599
Energy: 0.7915763558563956
Energy: 0.8499436135212602
Energy: 0.8097555776364008
Energy: 0.8085408936219671
Energy: 0.8502822826982989
Energy: 0.8066884164255897
Energy: 0.7838267855405251
Energy: 0.9382125136314434
Energy: 0.8333893304342834
Energy: 0.8064183794228471
Energy: 0.9895280367543207
Energy: 0.7789091589028405
Energy: 0.8061718898556341
Energy: 0.8427139091302602
Energy: 0.7899287235960447
Energy: 0.7899655553855093
Energy: 0.8411970978504176
Energy: 0.792979443566084
Energy: 0.7899552682859325
Energy: 1.0256156298768635
Energy: 0.7897349140588512
Energy: 0.8985260078883199
Energy: 1.0266954009291
Energy: 0.9075694513696199
Energy: 0.8293344982762193
Energy: 0.8412628602582075
Energy: 0.8302472463269457
Energy: 0.8297714457001623
Energy: 0.8411572229673285
Energy: 0.9178643002323287
Energy: 0.8301042159014314
Energy: 1.131591074790136
Energy: 0.8281716937155194
Energy: 0.8280595336373887
Energy: 1.1315268784050003
Energy: 1.1439779841402797
Energy: 0.7973089377297707
Energy: 0.9179012882568853
Energy: 0.7861266302520831
Energy: 0.8325159122658166
Energy: 0.918126911978376
Energy: 0.7720802672622089
Energy: 0.830637052229368
Energy: 0.7290147941978048
Energy: 0.9175452463173558
Energy: 0.8320385441007415
Energy: 0.7304410521795787
Energy: 0.9175109991621975
Energy: 0.8433310030084374
Energy: 0.7317445427335396
Energy: 0.7880656345944644
Energy: 0.8439234254341166
Energy: 0.7290466534096308
Energy: 0.792665345752006
Energy: 0.8442318338292141
Energy: 0.9174615174935773
Energy: 0.7917191436057673
Energy: 0.8234111705544266
Energy: 0.9174230777121051
Energy: 0.7928204304559225
Energy: 0.8299141829761246
Energy: 0.9188006594759268
Energy: 0.8025922038608402
Energy: 0.8287180143734815
Energy: 0.9186988240343837
Energy: 1.0571665477186358
Energy: 0.8280265642602691
Energy: 0.764476758460665
Energy: 0.7797421615230267
Energy: 0.7797093004336526
Energy: 0.7654849181853786
Energy: 0.8381446311174383
Energy: 0.7893735719118404
Energy: 0.8396096889305144
Energy: 0.8247259270572131
Energy: 0.8246053160970415
Energy: 0.7673060937842563
Energy: 0.9994029861308807
Energy: 0.8239019528016366
Energy: 0.840464711828804
Energy: 0.7858339923189684
Energy: 0.8484797347232448
Energy: 0.8433546866985475
Energy: 0.7652314196065947
Energy: 0.8241864140798176
Energy: 0.8427264709022908
Energy: 0.7869919700233144
Energy: 0.8513515570115749
Energy: 0.8428380674342888
Energy: 0.7870054000308273
Energy: 0.8284519370577982
Energy: 0.8427101849851577
Energy: 0.9652840294421264
Energy: 0.8462992455747251
Energy: 0.7723367268828696
Energy: 1.0122781216038392
Energy: 0.8466340386135476
Energy: 0.7712796333045119
Energy: 0.8323419693494086
Energy: 0.8325120704434459
Energy: 0.7715575373129174
Energy: 0.7930662656577822
Energy: 0.8381325752966
Energy: 1.1959835096761438
Energy: 0.8278573562335652
Energy: 0.8568744778393076
Energy: 1.1963455110309147
Energy: 1.2362338304344411
Energy: 0.8568807019269442
Energy: 0.9172991186861877
Energy: 0.7917610951414429
Energy: 0.8322633557567681
Energy: 0.9173115655392663
Energy: 0.9177339961341595
Energy: 0.83070936809725
Energy: 0.7321415129190635
Energy: 0.9601431849546461
Energy: 0.8440362309769474
Energy: 0.8113012561789671
Energy: 0.9174877745951424
Energy: 0.8442892957690972

minimum gb energy = 0.7277171189412103 eV
minimum distance =  2.40101265707667 Angstroms
sigma value = 17


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

Energy: 1.205537139473626
Energy: 0.8838332139879401
Energy: 0.8841849554227416
Energy: 1.2075816296894806
Energy: 1.0607774755993629
Energy: 0.7445076026405035
Energy: 0.7428509007347494
Energy: 0.7983622807607244
Energy: 0.8222715106110637
Energy: 0.8978690128141175
Energy: 0.8082641845465484
Energy: 0.7629742085706842
Energy: 0.9831440381003003
Energy: 0.8031355390284696
Energy: 0.7609742752976351
Energy: 0.9844324181426115
Energy: 0.8033519375161676
Energy: 0.7152953705739887
Energy: 0.8136068634967509
Energy: 0.8030268286411013
Energy: 0.7589709026364471
Energy: 0.8136594972237715
Energy: 0.6814210901109433
Energy: 0.8135505016230603
Energy: 0.8146920967492914
Energy: 0.7521072111729248
Energy: 0.7520028515623502
Energy: 0.8139869821843495
Energy: 0.8330262069937225
Energy: 0.7395907349507189
Energy: 1.0256583617299797
Energy: 0.6955951881236836
Energy: 0.7553062164321679
Energy: 1.0354852874952956
Energy: 0.6953363604170706
Energy: 0.6736349105601716
Energy: 0.757819093718939
Energy: 0.6919365585359845
Energy: 0.6919519913378012
Energy: 0.7583135436089827
Energy: 0.6956543631860836
Energy: 0.7085419435603864
Energy: 0.9801789527066336
Energy: 0.7175970228368338
Energy: 0.7795299128401657
Energy: 0.9817915749550499
Energy: 0.8437990636894306
Energy: 0.7799392753547763
Energy: 0.6943161837057112
Energy: 0.7195187531741567
Energy: 0.7660501994582083
Energy: 0.6956754926016209
Energy: 0.7476290549219267
Energy: 0.6920898613910867
Energy: 0.6949618552196495
Energy: 0.7196784228865752
Energy: 0.7195784334767882
Energy: 0.6949336189509215
Energy: 0.7195029849674974
Energy: 0.71978476644215
Energy: 0.9282381535710305
Energy: 0.7396165170623683
Energy: 0.7523837382290113
Energy: 0.925335133767641
Energy: 0.8670143516018984
Energy: 0.7527530837054239
Energy: 0.8496236375936637
Energy: 0.7816234195358788
Energy: 0.7815695532958136
Energy: 0.8441943382984048
Energy: 0.7826845539021252
Energy: 0.7815910184129476
Energy: 0.8548750888348009
Energy: 0.9034695518675737
Energy: 0.8052129523282245
Energy: 0.7655561401354216
Energy: 0.9714560858205975
Energy: 0.8072926087456156
Energy: 0.8367617816431339
Energy: 0.8107452734407197
Energy: 0.8119516711674206
Energy: 0.8363664331758434
Energy: 0.8982670273744366
Energy: 0.839918924963878
Energy: 1.0618249200616627
Energy: 0.8949973578039447
Energy: 0.782919784476417
Energy: 1.062079152296043
Energy: 0.782958044717242
Energy: 0.7844553769695294
Energy: 1.021764868969392
Energy: 0.8071751204072204
Energy: 0.7791763657128747
Energy: 1.0231332060540839
Energy: 0.8078925923662789
Energy: 0.8050397601249076
Energy: 0.9690763423980393
Energy: 0.8850851847329584
Energy: 0.8508983160917627
Energy: 0.9261532800276796
Energy: 0.8857517922118604
Energy: 0.8509795665803401

minimum gb energy = 0.6736349105601716 eV
minimum distance =  2.38033685465192 Angstroms
sigma value = 17


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

Energy: 1.250572675738063
Energy: 0.8502490766868613
Energy: 0.7193903834908891
Energy: 1.2527408345596158
Energy: 0.9842338763206195
Energy: 0.7819881465092846
Energy: 0.9848709567890429
Energy: 0.8412044122534742
Energy: 0.797484020638578
Energy: 0.9577402123701673
Energy: 0.8910482072158898
Energy: 0.8159206194488935
Energy: 0.9176945698634069
Energy: 0.711183969321288
Energy: 0.7572103128250376
Energy: 0.9186481113584959
Energy: 0.7979403923209607
Energy: 0.7266003090551693
Energy: 0.7876642931375809
Energy: 0.7577618681045897
Energy: 0.7262169344148255
Energy: 0.7873100479225996
Energy: 0.6385255392606645
Energy: 0.6931722076316692
Energy: 0.7836316971880414
Energy: 0.6971551714909814
Energy: 0.7271938095446665
Energy: 0.7838843279245176
Energy: 0.8914232710183693
Energy: 0.7191214949898194
Energy: 1.0951855394173695
Energy: 0.6649843364971956
Energy: 0.675539973083565
Energy: 1.0980841668277037
Energy: 0.6647418350106844
Energy: 0.7111218819503933
Energy: 0.6767861112050197
Energy: 0.705905510240347
Energy: 0.6633583046668096
Energy: 0.6766929224274261
Energy: 0.6660338599644249
Energy: 0.6738361837631524
Energy: 0.9019079594562679
Energy: 0.6525609032927926
Energy: 0.6868642800808419
Energy: 0.7689753155410369
Energy: 0.648413022465679
Energy: 0.7083740734289792
Energy: 0.6247509919241333
Energy: 0.7077583187533236
Energy: 0.6863427846419863
Energy: 0.6259055849008556
Energy: 0.7811439372241565
Energy: 0.6246735044247378
Energy: 0.6297517727290128
Energy: 0.6870156461706297
Energy: 0.6894141984649941
Energy: 0.6261971908628561
Energy: 0.6810893220084039
Energy: 0.7082786969224911
Energy: 0.8198777797211527
Energy: 0.6267980737350344
Energy: 0.7250804326299901
Energy: 0.7966115705907538
Energy: 0.6265707230014186
Energy: 0.6579974797118858
Energy: 0.8171597038655074
Energy: 0.6247602512458025
Energy: 0.6246820605677855
Energy: 0.8183806442584936
Energy: 0.6285417843860085
Energy: 0.686130042744171
Energy: 0.7225971072366683
Energy: 0.6578684680735453
Energy: 0.6851282395104287
Energy: 0.6811561314006438
Energy: 0.898315044534774
Energy: 0.6858487185704424
Energy: 0.6642164734413707
Energy: 0.6752522096186431
Energy: 0.665776763605607
Energy: 0.6639595075649359
Energy: 0.6797655157162951
Energy: 0.6639814374901895
Energy: 0.6646920206574404
Energy: 0.7246149899568174
Energy: 0.7604114033963352
Energy: 0.6648635311745208
Energy: 0.934512577056774
Energy: 0.7357483100231234
Energy: 0.8777600003784759
Energy: 0.8246649398901837
Energy: 0.7075103113337287
Energy: 0.7917264418976517
Energy: 0.8245237843276029
Energy: 0.728365356459943
Energy: 0.6761298666445361
Energy: 0.7583747874998598
Energy: 0.7582313589261351
Energy: 0.6769025252253875
Energy: 0.7582970397395159
Energy: 0.697004275068537
Energy: 0.6765441667356132
Energy: 0.8236367192979134
Energy: 0.7905539580698437
Energy: 0.6771626671187165
Energy: 0.9235917231454804
Energy: 0.7051113566154021
Energy: 0.9137171459512836
Energy: 0.7586022373743703
Energy: 0.7062026696078954
Energy: 0.9138314478193457
Energy: 0.8147562037783386
Energy: 0.7989882257532274
Energy: 1.0488910091965447
Energy: 0.7859960997645068
Energy: 0.7554120255344932
Energy: 1.0489083034616016
Energy: 0.9502881575459423
Energy: 0.8421100164967723
Energy: 0.9577194140953825
Energy: 0.8901694660204555
Energy: 0.773192505756714
Energy: 0.9589332968521396
Energy: 0.9572783717626936
Energy: 0.7741535692338688
Energy: 0.8605820016116141
Energy: 0.8370208877244616
Energy: 0.8211386524425048
Energy: 0.8250725368023348
Energy: 0.9146903292165668
Energy: 0.7269420771180507
Energy: 0.742349676668102
Energy: 0.7871057783866107
Energy: 0.7744006636498669
Energy: 0.7421849664471991
Energy: 0.8074318879685956
Energy: 0.82073794554364
Energy: 0.933812244796353
Energy: 0.8696113755648851
Energy: 0.7909370867597637
Energy: 0.9326595434107784
Energy: 0.6342810638935295
Energy: 0.7910607888267586
Energy: 0.7574646051718565
Energy: 0.7111694806384421
Energy: 0.7573353708702169
Energy: 0.7577260995105315
Energy: 0.7115930326413631
Energy: 0.7266954685670062
Energy: 0.7827748418787086
Energy: 0.696853314507213
Energy: 0.6959104048630491
Energy: 0.7838643230457564
Energy: 0.8091050947479569
Energy: 0.7821558449118763
Energy: 1.0970757855177782
Energy: 0.7178653230931871
Energy: 0.735218539391183
Energy: 0.7117314283420433
Energy: 0.8618243224339275
Energy: 0.7110934528855709
Energy: 0.9000813331671473
Energy: 0.663578400437351
Energy: 0.6638831106163436
Energy: 0.7869526319606751
Energy: 0.6654128009992375
Energy: 0.6639975309168793
Energy: 0.8866614195406208
Energy: 0.7163044463407684
Energy: 0.7144265984956478
Energy: 0.8875606391059646
Energy: 0.7057052920698419
Energy: 0.6789398881922868
Energy: 0.6271406704347741
Energy: 0.7023576263781462
Energy: 0.7077083419598312
Energy: 0.6271905182210037
Energy: 0.7022960357823461
Energy: 0.7413349809660903
Energy: 0.6302046575258018
Energy: 0.6851899227791962
Energy: 0.6974224116414948
Energy: 0.6312602501551792
Energy: 0.7326930500496851
Energy: 0.6472072386039628
Energy: 0.9458914550696919
Energy: 0.7097602166110201
Energy: 0.6557174278938491
Energy: 0.9457945549470721
Energy: 0.6264148154083922
Energy: 0.6551103439707598
Energy: 0.7808037110274868
Energy: 0.6291844378104087
Energy: 0.6246220932438296
Energy: 0.7814693917652239
Energy: 0.625101266389777
Energy: 0.6244390389502769
Energy: 1.039297113743343
Energy: 0.650108615999055
Energy: 0.682483002884906
Energy: 1.0413758134193287
Energy: 0.6272378820259501
Energy: 0.7400126059690179
Energy: 0.6698304248135545
Energy: 0.6754540619800405
Energy: 0.67478775140852
Energy: 0.6703009472624992
Energy: 0.6775135272830872
Energy: 0.6756937845219558
Energy: 0.6712189974103171
Energy: 0.707142473682685
Energy: 0.7352314356402386
Energy: 0.6638240247712242
Energy: 0.7068444099351593
Energy: 0.6644644245146428
Energy: 0.8878400998669922
Energy: 0.7209819842370874
Energy: 0.7203845644473041
Energy: 0.8891989434278379
Energy: 0.7167570691130354
Energy: 0.7257185829582805
Energy: 0.6784142859672244
Energy: 0.7578198890839793
Energy: 0.7833068731609597
Energy: 0.6709098833122539
Energy: 0.7593863196316254
Energy: 0.757368417633276
Energy: 1.174301017116133
Energy: 0.8596560297714814
Energy: 0.7582669026199694
Energy: 0.948631923261667
Energy: 0.9224009285784452
Energy: 0.7879149275099917
Energy: 0.9151588421754456
Energy: 0.7803616166315428
Energy: 0.774357447345474
Energy: 0.9163836220422414
Energy: 0.8434998569385336
Energy: 0.8127882884650012
Energy: 0.8541057832507264
Energy: 0.7351485071925956
Energy: 0.8085642843610384
Energy: 0.8494942980693504
Energy: 0.7351535371070463
Energy: 0.7584893468372136
Energy: 0.9555640031675362
Energy: 0.674082713414466
Energy: 0.79043610298318
Energy: 0.9567629464380845
Energy: 0.777187051256722
Energy: 0.7740366331697697
Energy: 0.7419825712133195
Energy: 0.8514033528783623
Energy: 0.7732287433233891
Energy: 0.7424694216367412
Energy: 0.8711776435804064
Energy: 0.8206309215966708

minimum gb energy = 0.6244390389502769 eV
minimum distance =  2.36399566596661 Angstroms
sigma value = 57


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

Energy: 1.12788417819969
Energy: 0.8056061052049924
Energy: 0.6909254741696709
Energy: 1.129328912370843
Energy: 0.917167483121593
Energy: 0.7393572258216577
Energy: 0.9166752506027439
Energy: 0.7692781423508765
Energy: 0.7579671726847625
Energy: 0.9104369374239224
Energy: 0.8632144533179543
Energy: 0.7759365152760506
Energy: 0.8586276997145726
Energy: 0.6697024054021621
Energy: 0.6820873763497912
Energy: 0.8601063467344117
Energy: 0.7432749817470042
Energy: 0.6939258240606974
Energy: 0.7530184021365726
Energy: 0.6715284984453423
Energy: 0.694093319968745
Energy: 0.7519026378708326
Energy: 0.7357930253365544
Energy: 0.6688560856399108
Energy: 0.7364807165454088
Energy: 0.6689221465845703
Energy: 0.6931594470503508
Energy: 0.7377650353858802
Energy: 0.8397482031853953
Energy: 0.6949315836204448
Energy: 1.0210202388579832
Energy: 0.6392016202710955
Energy: 0.642573323695713
Energy: 1.023474251140063
Energy: 0.6390827833077527
Energy: 0.6704036501678065
Energy: 0.8112106754697002
Energy: 0.6791177322797745
Energy: 0.6843741253656548
Energy: 0.8125923979424748
Energy: 0.677537230828783
Energy: 0.6385217912554663
Energy: 0.8224646304386676
Energy: 0.6492421641258906
Energy: 0.6594397227395135
Energy: 0.78075116738085
Energy: 0.6485030366189237
Energy: 0.6686341721601462
Energy: 0.5951726308494836
Energy: 0.757057926678605
Energy: 0.5932626758755343
Energy: 0.5961266947350715
Energy: 0.7962364150451912
Energy: 0.5929515837147863
Energy: 0.5972743880801539
Energy: 0.6866332536635662
Energy: 0.6628547810130694
Energy: 0.5975419339313662
Energy: 0.6663766220826721
Energy: 0.6655315259612298
Energy: 0.9383416778254
Energy: 0.5737458049161718
Energy: 0.6814217750139269
Energy: 0.8002935457745545
Energy: 0.5850929177403044
Energy: 0.6688799321603809
Energy: 0.7888843751808634
Energy: 0.5783570277602154
Energy: 0.5719298462420631
Energy: 0.7728995588197978
Energy: 0.5759266004968557
Energy: 0.6641685047954062
Energy: 0.5753592328449175
Energy: 0.6644372881010983
Energy: 0.645478184328552
Energy: 0.5767134223567713
Energy: 0.6411261092484182
Energy: 0.7334190773055563
Energy: 0.5726575311487992
Energy: 0.6522869940146067
Energy: 0.6391277373376753
Energy: 0.5735565649766634
Energy: 0.7754266959267978
Energy: 0.5718754644225377
Energy: 0.5732032775572947
Energy: 0.6476634850264962
Energy: 0.6596240920016501
Energy: 0.5734203839264871
Energy: 0.6246414947577811
Energy: 0.6474664250454493
Energy: 0.8075419477089326
Energy: 0.5950119728108557
Energy: 0.6466525497459441
Energy: 0.7026530489662128
Energy: 0.6051521430918954
Energy: 0.622218331503515
Energy: 0.716612593954641
Energy: 0.6017527525229215
Energy: 0.5927983183122895
Energy: 0.7160959680743997
Energy: 0.5987452032792604
Energy: 0.6461016458009289
Energy: 0.6585392266896166
Energy: 0.6133747068633982
Energy: 0.6417480032692034
Energy: 0.6585417819604467
Energy: 0.828922930618575
Energy: 0.644883173400874
Energy: 0.6393627934304001
Energy: 0.629297583150322
Energy: 0.6390996476575853
Energy: 0.6406534081484999
Energy: 0.7536347095838893
Energy: 0.6391519120192396
Energy: 0.8128856196499152
Energy: 0.6972228927257275
Energy: 0.7034780646933737
Energy: 0.8144717734721849
Energy: 0.6598866595857839
Energy: 0.7113602328144194
Energy: 0.8639584838353066
Energy: 0.7885616628422203
Energy: 0.7089105437587893
Energy: 0.7495415980682778
Energy: 0.7874151402042967
Energy: 0.6856514844504801
Energy: 0.6768210835730735
Energy: 0.7264015601164647
Energy: 0.6392891155239863
Energy: 0.6767811871894928
Energy: 0.735316606952638
Energy: 0.6660742794956486
Energy: 0.6962337995703916
Energy: 0.783401240217045
Energy: 0.7265173092766102
Energy: 0.6941870803655373
Energy: 0.8640993413961005
Energy: 0.7511744458624205
Energy: 0.8615388420600036
Energy: 0.6599551669162267
Energy: 0.6700610826080786
Energy: 0.8632304410282116
Energy: 0.8568970478067285
Energy: 0.7576200258427875
Energy: 0.8595428943966802
Energy: 0.6941915748171532
Energy: 0.6945556981566087
Energy: 0.8601487937507277
Energy: 0.6944472698177653
Energy: 0.7509486743206016
Energy: 0.8965917102614436
Energy: 0.8460489604290763
Energy: 0.7272815876189779
Energy: 0.8973733274267236
Energy: 0.8988243270441003
Energy: 0.7264151310088833
Energy: 1.1300222291513495
Energy: 0.7921131443874995
Energy: 0.6941481914981139
Energy: 0.9164588696459384
Energy: 0.8609506954572876
Energy: 0.7181597273083911

minimum gb energy = 0.5718754644225377 eV
minimum distance =  2.37454388005705 Angstroms
sigma value = 43


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

Energy: 1.0489660968275558
Energy: 0.7044826380484255
Energy: 0.6157770703508467
Energy: 1.0506063541906827
Energy: 0.771863597782821
Energy: 0.614623630162609
Energy: 0.7600101400860723
Energy: 0.6384581189073287
Energy: 0.6382100132149076
Energy: 0.7576815304643759
Energy: 0.7383684792183499
Energy: 0.5650153028699595
Energy: 0.7330030341854462
Energy: 0.568333483806689
Energy: 0.575934104054952
Energy: 0.7344567422599055
Energy: 0.6245600956268004
Energy: 0.5580667854199063
Energy: 0.6501066174113146
Energy: 0.5737200288578578
Energy: 0.5583073304790143
Energy: 0.65006024217874
Energy: 0.6220776682542299
Energy: 0.5899963401839458
Energy: 0.6380900297562515
Energy: 0.5823294442090343
Energy: 0.5680703461661732
Energy: 0.6380328116393729
Energy: 0.7048553705806437
Energy: 0.5563077920093468
Energy: 0.9722939042311421
Energy: 0.5641378685525488
Energy: 0.5564838892102381
Energy: 0.97416958569501
Energy: 0.5639369816894838
Energy: 0.5335804397839371
Energy: 0.7003319567136435
Energy: 0.5918456652542413
Energy: 0.5918580775454926
Energy: 0.7016740285655865
Energy: 0.596560460928625
Energy: 0.6033561659882526
Energy: 0.6738840291107702
Energy: 0.5653177524332513
Energy: 0.5490984942570741
Energy: 0.6750648846907539
Energy: 0.5401542197961954
Energy: 0.549154373206109
Energy: 0.5265617880485831
Energy: 0.5488512926041311
Energy: 0.5244102047339951
Energy: 0.5280438687813037
Energy: 0.6657205988576267
Energy: 0.5243964697738243
Energy: 0.524421112571249
Energy: 0.5435479969145023
Energy: 0.5365972409549455
Energy: 0.5244840531052513
Energy: 0.5626655184505107
Energy: 0.5335363802035122
Energy: 0.760779940171893
Energy: 0.4994310798896873
Energy: 0.5803977928059958
Energy: 0.5713674493072469
Energy: 0.4993712019973365
Energy: 0.537463155157219
Energy: 0.6707923219563349
Energy: 0.5001298716047812
Energy: 0.4996271754342579
Energy: 0.6628228773035334
Energy: 0.5020944815619923
Energy: 0.5774054990155159
Energy: 0.648646475192806
Energy: 0.5369198797075301
Energy: 0.5609894614344725
Energy: 0.6500037791400924
Energy: 0.5537468191651472
Energy: 0.5606868853272549
Energy: 0.48513719498639385
Energy: 0.6800511209480999
Energy: 0.4851740769447062
Energy: 0.48652428416054794
Energy: 0.6535835171958415
Energy: 0.4853677600539004
Energy: 0.4874284366363134
Energy: 0.5522810331805336
Energy: 0.5335638150348568
Energy: 0.4875838347222142
Energy: 0.5526167407150094
Energy: 0.545052812058136
Energy: 0.6090846399948648
Energy: 0.47943492657591136
Energy: 0.4793396249986735
Energy: 0.5437856079498029
Energy: 0.4793290840159004
Energy: 0.5540746137406141
Energy: 0.6651707636267489
Energy: 0.4802651799365002
Energy: 0.48022647174400496
Energy: 0.662421304492057
Energy: 0.4802255245152253
Energy: 0.5612209354190809
Energy: 0.6395258561827412
Energy: 0.5877096339956885
Energy: 0.5853252071315945
Energy: 0.564501454840698
Energy: 0.692531338741429
Energy: 0.5005313970227794
Energy: 0.4783812857689201
Energy: 0.5952420600327266
Energy: 0.4784659471283026
Energy: 0.4791569193239237
Energy: 0.6543385062257008
Energy: 0.4784794135487852
Energy: 0.6414416088015472
Energy: 0.5842942111323478
Energy: 0.589068137130574
Energy: 0.6430097533980834
Energy: 0.5364196911247369
Energy: 0.5503771487097747
Energy: 0.6548579530697555
Energy: 0.4879288375646456
Energy: 0.48774446612014416
Energy: 0.6686824638892349
Energy: 0.48789762346596777
Energy: 0.5535508350183036
Energy: 0.54174666117956
Energy: 0.4855087237450409
Energy: 0.48554895938781756
Energy: 0.5423133495108655
Energy: 0.48540342866565445
Energy: 0.557717716432791
Energy: 0.5843242414181414
Energy: 0.5372463977020503
Energy: 0.5334577819459628
Energy: 0.5017756584288899
Energy: 0.6422729014392755
Energy: 0.5320613566819493
Energy: 0.49977388365082953
Energy: 0.6645796959591017
Energy: 0.49940565158177075
Energy: 0.501287123852878
Energy: 0.6596600917081893
Energy: 0.49961656147443234
Energy: 0.6579236098553024
Energy: 0.5390224701722449
Energy: 0.5438032181535813
Energy: 0.6594372848931442
Energy: 0.5563378121109214
Energy: 0.5434855895893544
Energy: 0.673616315622996
Energy: 0.5244397806952915
Energy: 0.5245848121595335
Energy: 0.6752300350875498
Energy: 0.5245818403812206
Energy: 0.5295598274650712
Energy: 0.7936087653204907
Energy: 0.5238615571508787
Energy: 0.5637424272397735
Energy: 0.5675731987033157
Energy: 0.5238485536237166
Energy: 0.5443659401022044
Energy: 0.5532844432613147
Energy: 0.5607264539027669
Energy: 0.5622313303553271
Energy: 0.5665813394789465
Energy: 0.6441308448205146
Energy: 0.5544344483811728
Energy: 0.5676218865717778
Energy: 0.561141779481693
Energy: 0.5651534245122574
Energy: 0.5686378018169231
Energy: 0.6784337589978036
Energy: 0.5653150833514528
Energy: 0.6967395868493329
Energy: 0.5822326307880781
Energy: 0.5615011776122238
Energy: 0.6980995036466939
Energy: 0.5537707951324606
Energy: 0.5612606887395488
Energy: 0.7115916956218553
Energy: 0.6760056060840673
Energy: 0.6761261569415935
Energy: 0.7110688543721565
Energy: 0.6809507269844917
Energy: 0.6885574897284584
Energy: 1.0113710686830686
Energy: 0.6330488576748331
Energy: 0.5747687932668992
Energy: 1.0130907333359938
Energy: 0.6329643033301162
Energy: 0.5495938166304772
Energy: 0.6541706080574173
Energy: 0.6331150452931809
Energy: 0.6234826329617976
Energy: 0.6548124725061448
Energy: 0.7315829116934598
Energy: 0.6250325388014409
Energy: 0.73507302042326
Energy: 0.5939372798540464
Energy: 0.565960955856952
Energy: 0.643728206343345
Energy: 0.6503572400310264
Energy: 0.6340762680931574
Energy: 0.7331424952592667
Energy: 0.5817885700871877
Energy: 0.5847659694921168
Energy: 0.7345289248069118
Energy: 0.6355121789120637
Energy: 0.5903172214101146
Energy: 0.757224082104421
Energy: 0.6232329100785186
Energy: 0.6235911207136469
Energy: 0.7591016729695745
Energy: 0.7595036421595597
Energy: 0.6248953308685041

minimum gb energy = 0.4783812857689201 eV
minimum distance =  2.3548064415303 Angstroms
sigma value = 81


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

Energy: 0.03543096641017815
Energy: 0.06727067110989131
Energy: 0.036164061345132385
Energy: 0.03750502459905223
Energy: 0.06689494180525676
Energy: 0.03586371732242373
Energy: 0.06839881910859719
Energy: 0.03605891154766592
Energy: 0.03604891752943595
Energy: 0.03617170257141607
Energy: 0.03706460435825845
Energy: 0.03626334702919285
Energy: 0.43435135466192365
Energy: 0.03581896357732582
Energy: 0.0362100459645108
Energy: 0.4281933316126322
Energy: 0.03592843692266241
Energy: 0.06753801825072563
Energy: 0.038504811035915916
Energy: 0.03595374228568841
Energy: 0.03599989478019955
Energy: 0.03685802274657334
Energy: 0.03588117712129818
Energy: 0.06807143563936989
Energy: 0.0676463848843705
Energy: 0.06690823583193486
Energy: 0.06699890842471765
Energy: 0.06856525456173966
Energy: 0.43132687464829456
Energy: 0.06699623478731494
Energy: 0.036465035883610636
Energy: 0.08794960098771186
Energy: 0.036190577273332726
Energy: 0.037663492412002814
Energy: 0.03628632567633846
Energy: 0.035924875285259276
Energy: 0.036073693560909705
Energy: 0.03603004190280012
Energy: 0.036133910967347936
Energy: 0.03626890521508061
Energy: 0.03700190786105941
Energy: 0.03613600724051918
Energy: 0.06707269088500627
Energy: 0.035946864845648914
Energy: 0.035992784235334176
Energy: 0.06699381247204017
Energy: 0.035759512840571384
Energy: 0.0676419489723271
Energy: 0.036631808798238366
Energy: 0.03601558653372813
Energy: 0.06964320398742133
Energy: 0.03805102539064303
Energy: 0.035900206371674646
Energy: 0.0692312521864463
Energy: 0.03614025552429897
Energy: 0.06680268545817078
Energy: 0.06683301053591098
Energy: 0.0360299223541416
Energy: 0.4311322845420584
Energy: 0.0671056712287608

minimum gb energy = 0.03543096641017815 eV
minimum distance =  2.53081301262212 Angstroms
sigma value = 3


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

Energy: 1.0965587789660447
Energy: 0.6247952720320727
Energy: 0.6627810857285289
Energy: 1.0969708480870841
Energy: 0.597663489436717
Energy: 0.6034983108188278
Energy: 0.6504557915748489
Energy: 0.63127132298174
Energy: 0.631024750852214
Energy: 0.6548637584007545
Energy: 0.6545402799583844
Energy: 0.643484285047281
Energy: 0.6590620024588064
Energy: 0.6041030145927659
Energy: 0.6036860768274748
Energy: 0.6596705880372501
Energy: 0.6037779254954722
Energy: 0.624881683057389
Energy: 0.6258335505127441
Energy: 0.6030707651955497
Energy: 0.6028708335093997
Energy: 0.625955867403809
Energy: 0.5475917991863073
Energy: 0.6410216199002455
Energy: 0.5354742709914269
Energy: 0.6310670671816114
Energy: 0.646730785190941
Energy: 0.5344056029323446
Energy: 0.6546072905485971
Energy: 0.6449273487164501
Energy: 1.0401931155359
Energy: 0.6153031466392066
Energy: 0.6581514732076499
Energy: 0.6210173806187445
Energy: 0.6156068644947514
Energy: 0.5807583546092151
Energy: 0.6300226935123032
Energy: 0.6191786977353694
Energy: 0.6130286522997809
Energy: 0.6293036320183719
Energy: 0.6065879174818617
Energy: 0.6521694671796565
Energy: 0.6287424894955828
Energy: 0.5848680360516093
Energy: 0.584576987619587
Energy: 0.6245014908137909
Energy: 0.5558696238287886
Energy: 0.5737990706913286
Energy: 0.6501201258697661
Energy: 0.5842488237983985
Energy: 0.6190312746257409
Energy: 0.6511789291415457
Energy: 0.5152740357497861
Energy: 0.6192347613069461
Energy: 0.6038406689786548
Energy: 0.5410248802758029
Energy: 0.5587197441609391
Energy: 0.6038905216701385
Energy: 0.5406318117008199
Energy: 0.5396047323583049
Energy: 0.6153741909144917
Energy: 0.5942028081165969
Energy: 0.5880645372995181
Energy: 0.5619336519949432
Energy: 0.6051680538674812
Energy: 0.562087748878144
Energy: 0.5051828703509368
Energy: 0.6019928112171765
Energy: 0.6046656695892996
Energy: 0.50573946864466
Energy: 0.5939871041309781
Energy: 0.5031915611347253
Energy: 0.5465276419075041
Energy: 0.5485745297612327
Energy: 0.5663790385320705
Energy: 0.546128039637476
Energy: 0.5484236514612705
Energy: 0.5370416068660081
Energy: 0.7007848814290286
Energy: 0.5517505732359813
Energy: 0.5712618675302984
Energy: 0.6282911271697049
Energy: 0.49740053176378296
Energy: 0.5697384135698704
Energy: 0.5978360235338169
Energy: 0.5100415488452487
Energy: 0.5100466361946302
Energy: 0.5989578634282655
Energy: 0.5124774779076041
Energy: 0.5096324325518944
Energy: 0.6089977229040864
Energy: 0.5549518575011161
Energy: 0.5515046106468461
Energy: 0.5959301404330781
Energy: 0.6070870969792993
Energy: 0.5521411042199286
Energy: 0.48537501365523494
Energy: 0.5579116938813168
Energy: 0.5631515276666419
Energy: 0.48561108654096435
Energy: 0.5595349840045336
Energy: 0.4854102984185796
Energy: 0.5117658454236008
Energy: 0.5494723617188068
Energy: 0.5557443566797791
Energy: 0.5115420405887279
Energy: 0.549452575962016
Energy: 0.5936194703936091
Energy: 0.8028092642353675
Energy: 0.6109496478310945
Energy: 0.5496296677800498
Energy: 0.8039399647277962
Energy: 0.6048220562676767
Energy: 0.5564424371661677
Energy: 0.5999278365414334
Energy: 0.49789239412686065
Energy: 0.48704507307601314
Energy: 0.6013597805201243
Energy: 0.5012763452778083
Energy: 0.4853544183037969
Energy: 0.5997249943330489
Energy: 0.5549654208147881
Energy: 0.5540984710284089
Energy: 0.6001012229700673
Energy: 0.564761399035267
Energy: 0.556184843728803
Energy: 0.5126748712410354
Energy: 0.5502590300682402
Energy: 0.5226218230761722
Energy: 0.5136400653133731
Energy: 0.6270708454103671
Energy: 0.5099618530619959
Energy: 0.4837750616786665
Energy: 0.5931698242493046
Energy: 0.5955345062146777
Energy: 0.49257056553280804
Energy: 0.7073704121069937
Energy: 0.5969341539507617
Energy: 0.9064976631599473
Energy: 0.5462489531010489
Energy: 0.5246704376133737
Energy: 0.9071274030289304
Energy: 0.5462544282839851
Energy: 0.5343022945577242
Energy: 0.5806201376374089
Energy: 0.5044335857350296
Energy: 0.5049582893718664
Energy: 0.5809716096696262
Energy: 0.505054320447555
Energy: 0.5032486480151018
Energy: 0.6362321391465592
Energy: 0.5759055013579818
Energy: 0.5757891008356747
Energy: 0.6054191693642141
Energy: 0.5513937310009697
Energy: 0.5879223516028621
Energy: 0.5793041109299238
Energy: 0.5759646531946376
Energy: 0.5522578524191778
Energy: 0.5804037017286285
Energy: 0.6307397878940657
Energy: 0.5588453737695704
Energy: 0.5161453723429368
Energy: 0.6510829929925763
Energy: 0.6500366858719523
Energy: 0.5161404382846582
Energy: 0.652176963924214
Energy: 0.6498335055078824
Energy: 0.99086860907724
Energy: 0.6480922628691401
Energy: 0.5795886948776532
Energy: 0.5664196630043676
Energy: 0.6479424878747666
Energy: 0.5535687452977345
Energy: 0.5645569712735415
Energy: 0.6295313197156944
Energy: 0.5982347665265321
Energy: 0.5650359021991433
Energy: 0.6318113457017029
Energy: 0.5973640394886203
Energy: 0.6227641879007877
Energy: 0.5913594707425552
Energy: 0.5912823306965964
Energy: 0.6233000736844847
Energy: 0.5594217168964137
Energy: 0.5963961890488774
Energy: 0.6880376328519135
Energy: 0.591095993250408
Energy: 0.6367447899217781
Energy: 0.688658330308779
Energy: 0.5146051497373673
Energy: 0.6584202142161586
Energy: 0.5485528010763169
Energy: 0.6251662448082724
Energy: 0.6250859457726128
Energy: 0.5486231251049473
Energy: 0.6257731120043604
Energy: 0.5991617707282315

minimum gb energy = 0.4837750616786665 eV
minimum distance =  2.35584821295126 Angstroms
sigma value = 67


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

Energy: 1.075494698025431
Energy: 0.7401182816906127
Energy: 0.7899074519542044
Energy: 1.077001645856723
Energy: 0.741875205943163
Energy: 0.7761411000650398
Energy: 0.7241776120148553
Energy: 0.7465000728298223
Energy: 0.7398681694000115
Energy: 0.7759203836813331
Energy: 0.7790787215163346
Energy: 0.7607620203139878
Energy: 0.837258480810734
Energy: 0.7268006398089542
Energy: 0.7558381640853805
Energy: 0.7790712118225713
Energy: 0.7235312446796418
Energy: 0.755287516768787
Energy: 0.7292846596234616
Energy: 0.7581979512070662
Energy: 0.7583142182310768
Energy: 0.7305486633859113
Energy: 0.7001312141770129
Energy: 0.7604927970206702
Energy: 0.6794748578738241
Energy: 0.7458280648908739
Energy: 0.7664773890871474
Energy: 0.6794764214538817
Energy: 0.7769798098506459
Energy: 0.7713479869716564
Energy: 1.0097454386457656
Energy: 0.7692679214942238
Energy: 0.7736575654708363
Energy: 1.0131604313954492
Energy: 0.769391003504781
Energy: 0.7425268823180841
Energy: 0.6844398385163183
Energy: 0.8012597188156233
Energy: 0.7729532345761341
Energy: 0.6823684068507914
Energy: 0.7859189439478317
Energy: 0.720690855638433
Energy: 0.7335293385727344
Energy: 0.71005811729053
Energy: 0.6628522990559813
Energy: 0.7342256540503741
Energy: 0.6959399678507334
Energy: 0.7211698288411524
Energy: 0.7567200565289991
Energy: 0.7766677233607368
Energy: 0.7333430318237506
Energy: 0.7504970820445527
Energy: 0.6363227367838744
Energy: 0.7707503766268132
Energy: 0.744970909498878
Energy: 0.6404261266134814
Energy: 0.6390796644523362
Energy: 0.7458472275104342
Energy: 0.6528864769807448
Energy: 0.6461955007662287
Energy: 0.7522098927033423
Energy: 0.7849995868346406
Energy: 0.7443904958489658
Energy: 0.6960697526794523
Energy: 0.7540141392108288
Energy: 0.745284287083217
Energy: 0.6222893438141687
Energy: 0.7123218084870644
Energy: 0.73547567242857
Energy: 0.6226057358350455
Energy: 0.7538850238590743
Energy: 0.6158966428165635
Energy: 0.6202287357063196
Energy: 0.7254419256212089
Energy: 0.6747778720935159
Energy: 0.62017024553738
Energy: 0.7216980695073635
Energy: 0.6161998024076821
Energy: 0.9040701319746357
Energy: 0.7517632056880503
Energy: 0.7229027382302678
Energy: 0.7902854371893858
Energy: 0.7314833538271408
Energy: 0.7223301403417189
Energy: 0.7309672145777891
Energy: 0.6199804423747153
Energy: 0.6154911799225762
Energy: 0.7322242524244024
Energy: 0.6173189053037528
Energy: 0.676288446992699
Energy: 0.7385840199676772
Energy: 0.7220250109326187
Energy: 0.7189657522949705
Energy: 0.7344309307773258
Energy: 0.6766872523805268
Energy: 0.7167992437533672
Energy: 0.6562016574932396
Energy: 0.6931264741282551
Energy: 0.6611909156135017
Energy: 0.6570295937187318
Energy: 0.69772915838426
Energy: 0.6560549149835965
Energy: 0.6374686156650992
Energy: 0.7618462349493355
Energy: 0.7544629983146146
Energy: 0.6357019391711526
Energy: 0.7802297796576948
Energy: 0.7217890817039885
Energy: 0.9519995215365741
Energy: 0.7922421664101684
Energy: 0.7307661926893663
Energy: 0.9278772817623906
Energy: 0.8069774466196733
Energy: 0.7647441241328327
Energy: 0.6354114314906721
Energy: 0.6849913074663934
Energy: 0.729296796123734
Energy: 0.6360896428565258
Energy: 0.6836523024366065
Energy: 0.7321511374574693
Energy: 0.7521026521488798
Energy: 0.783529424932746
Energy: 0.7637810183215733
Energy: 0.7534200275107049
Energy: 0.7119527101610988
Energy: 0.760233428796955
Energy: 0.8378826680362745
Energy: 0.7022262452522711
Energy: 0.7519626445159152
Energy: 0.7785112089333468
Energy: 0.7024818875058352
Energy: 0.7596522936068487
Energy: 0.7245918359106136
Energy: 0.7621596094869344
Energy: 0.7415373058680876
Energy: 0.714613271759313
Energy: 0.7589964884760049
Energy: 0.7617884430887204

minimum gb energy = 0.6154911799225762 eV
minimum distance =  2.3429888861228 Angstroms
sigma value = 33


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

Energy: 1.2096254592667375
Energy: 0.9554173887289167
Energy: 1.0162820257924232
Energy: 1.2118633043880438
Energy: 0.914992915392515
Energy: 0.9110063196439683
Energy: 0.7786285179523031
Energy: 0.8113440054120858
Energy: 0.8115143274266886
Energy: 0.873919595366967
Energy: 0.8764687906842419
Energy: 0.8364391699352747
Energy: 0.909919658109873
Energy: 0.8549157452836191
Energy: 0.8537487066712214
Energy: 0.9108972199561324
Energy: 0.8553543976099349
Energy: 0.8891146088486185
Energy: 0.7671822507810167
Energy: 0.8737448184795478
Energy: 0.8700107868490267
Energy: 0.7685485463561832
Energy: 0.753103323775627
Energy: 0.8523932318567853
Energy: 0.7477654321682534
Energy: 0.8402548971773572
Energy: 0.8397200929083785
Energy: 0.7375049215630031
Energy: 0.9260359855095771
Energy: 0.839207329117935
Energy: 1.1203713205952595
Energy: 0.9193132738468305
Energy: 0.8679858524589246
Energy: 1.1219282432912798
Energy: 0.9204706736801366
Energy: 0.8215226998927513
Energy: 0.7486776811914533
Energy: 0.8666268180329063
Energy: 0.8450953481913862
Energy: 0.7485182020797865
Energy: 0.8670501056528518
Energy: 0.7716887111260194
Energy: 0.7707179882970504
Energy: 0.830783358488035
Energy: 0.8284946399525386
Energy: 0.7716743366009579
Energy: 0.8264088459763048
Energy: 0.7690806641483826
Energy: 0.826396250745822
Energy: 0.8657650110774495
Energy: 0.8392980222169224
Energy: 0.8148873286259887
Energy: 0.695921588736897
Energy: 0.8295586036831086
Energy: 0.8071067975096694
Energy: 0.7015795133583737
Energy: 0.6971303279636824
Energy: 0.8081250148609307
Energy: 0.6982445452767126
Energy: 0.7674767122707956
Energy: 0.9688829282796207
Energy: 0.7758577156851427
Energy: 0.8217638241820301
Energy: 0.7984488948718482
Energy: 0.7542379842131676
Energy: 0.8087906143139264
Energy: 0.6988282708276528
Energy: 0.8112748142193688
Energy: 0.8268335309387379
Energy: 0.6988149385890775
Energy: 0.9057882108205645
Energy: 0.6991729000471198
Energy: 0.69666284673938
Energy: 0.8255758282311287
Energy: 0.8560924188209823
Energy: 0.6969262025582338
Energy: 0.8822049956570372
Energy: 0.7134818554567601
Energy: 1.034102659375902
Energy: 0.870651130467585
Energy: 0.853972586659884
Energy: 0.8393298366314313
Energy: 0.8521918658968043
Energy: 0.8144806895303849
Energy: 0.7508140448878643
Energy: 0.7791430600565595
Energy: 0.775922181760696
Energy: 0.7510957092022849
Energy: 0.7498319159609663
Energy: 0.7892729079913959
Energy: 0.7973139294755005
Energy: 0.8664970401015945
Energy: 0.8536199184009639
Energy: 0.8552580331711993
Energy: 0.7134973790280362
Energy: 0.8504360447053663
Energy: 0.90958455225047
Energy: 0.8297006882529514
Energy: 0.8303269300227746
Energy: 0.908674496236951
Energy: 0.8300740524923643
Energy: 0.8673198036545158
Energy: 0.8740471665454121
Energy: 0.8314071143115631
Energy: 0.8119919603256452
Energy: 0.8741110728685232
Energy: 0.8310287909931389
Energy: 0.8242521222756767
Energy: 1.2107057095859066
Energy: 0.8823497084034068
Energy: 0.8848329415355866
Energy: 1.21195412123697
Energy: 0.8816419779736976
Energy: 0.8278476873693746
Energy: 0.7786670491726159
Energy: 0.8115074596519575
Energy: 0.8115648185231845
Energy: 0.7816030690793434
Energy: 0.8759153249210511
Energy: 0.8119889994149871
Energy: 0.8961033333821905
Energy: 0.8545520191825996
Energy: 0.8537483717978553
Energy: 0.8969635449872052
Energy: 0.833903855535474
Energy: 0.8525690363090924
Energy: 0.8859077720011775
Energy: 0.8542329906722911
Energy: 0.8539970035527216
Energy: 0.8413594804331083
Energy: 0.8552724403125344
Energy: 0.8528405827169774
Energy: 0.7479274803139566
Energy: 0.8115055976774217
Energy: 0.8399461283045218
Energy: 0.7489877334817092
Energy: 0.9251450052841061
Energy: 0.8396018878612846
Energy: 1.1199940232218708
Energy: 0.9181799727534273
Energy: 0.8705327802373724
Energy: 1.120817150099521
Energy: 0.9218365896686498
Energy: 0.8212353792106125
Energy: 0.7486724848744166
Energy: 0.8605102428187609
Energy: 0.8460231035637833
Energy: 0.7487857465793757
Energy: 0.8644914867036805
Energy: 0.8641673932917786
Energy: 0.7690716148600267
Energy: 0.806381509814311
Energy: 0.8054967581858661
Energy: 0.7701383725219242
Energy: 0.8057761397852758
Energy: 0.8096882882082853
Energy: 0.8447277777255766
Energy: 0.8247526176491793
Energy: 0.8274069521897274
Energy: 0.8455458362241786
Energy: 0.698915859963514
Energy: 0.8252844260582961
Energy: 0.8062518497373612
Energy: 0.6970212611934917
Energy: 0.7145898208370544
Energy: 0.806911970530129
Energy: 0.6993187809515445
Energy: 0.7669832102019569
Energy: 0.9725802215761667
Energy: 0.7545430966555204
Energy: 0.8093811629570319
Energy: 0.968865003509821
Energy: 0.7569517470892311
Energy: 0.8086647502912774
Energy: 0.6985732929553649
Energy: 0.8124543077830039
Energy: 0.8270730536226696
Energy: 0.6984429746406376
Energy: 0.9034471803286397
Energy: 0.6986101144397877
Energy: 0.6965224493947858
Energy: 0.8177855562944468
Energy: 0.7136920888393631
Energy: 0.6964714986390954
Energy: 0.830011601354924
Energy: 0.7139489422568985
Energy: 0.8284366797059515
Energy: 0.8665051828032164
Energy: 0.826851815167636
Energy: 0.7782572177141812
Energy: 0.853092299651954
Energy: 0.8148270386623595
Energy: 0.847365833337714
Energy: 0.7702621150709308
Energy: 0.7672377729409603
Energy: 0.8311603469057347
Energy: 0.769129535542054
Energy: 0.7909382384992126
Energy: 0.8332721340187673
Energy: 0.7136107079698654
Energy: 0.8504174218352124
Energy: 0.8345298749196856
Energy: 0.7134263145122752
Energy: 0.8505225934357881
Energy: 0.9077764950963838
Energy: 0.8353563191122375
Energy: 0.8298776758367817
Energy: 0.9074904630843214
Energy: 0.9245286243790087
Energy: 0.8276573779717521
Energy: 0.8751127981470201
Energy: 0.8298523284920513
Energy: 0.8359383650028601
Energy: 0.8737460478615028
Energy: 0.8296293278505661
Energy: 0.840203625692473
Energy: 1.2126691614895226
Energy: 0.8823129620182355
Energy: 0.897309847756278
Energy: 1.0365625557083022
Energy: 0.8815711217502289
Energy: 0.8285287459089516

minimum gb energy = 0.695921588736897 eV
minimum distance =  2.35987068157299 Angstroms
sigma value = 41


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

Energy: 1.1209255924564714
Energy: 1.1045475256894774
Energy: 1.1080811624346516
Energy: 1.1229726201781343
Energy: 1.3374393129294626
Energy: 1.1111490078513646
Energy: 0.8906215946870938
Energy: 0.951059947558471
Energy: 0.9518899499243227
Energy: 0.9885911537693045
Energy: 0.9759541493572075
Energy: 0.9785838957529779
Energy: 0.9667854438579623
Energy: 0.9880435821559188
Energy: 0.987903119224684
Energy: 0.9673773548145308
Energy: 0.9654985517184996
Energy: 0.940553128466751
Energy: 0.9828563597476248
Energy: 0.9653125103403695
Energy: 0.965466140650845
Energy: 0.9464916629887173
Energy: 0.9152162795221812
Energy: 0.8304931677829644
Energy: 0.8415576130819175
Energy: 0.976974818431834
Energy: 0.9793532128293079
Energy: 0.8416631732353705
Energy: 1.031397677406272
Energy: 0.9755507993630039
Energy: 1.0400356631452103
Energy: 1.025658455841266
Energy: 1.0257248460660866
Energy: 1.0410885247044666
Energy: 1.0172604927649582
Energy: 1.0276967588806543
Energy: 0.841308041010026
Energy: 0.940905153476937
Energy: 0.9794987120759152
Energy: 0.8405680383533778
Energy: 0.9486880295632066
Energy: 0.8413871144291317
Energy: 0.8218677061892788
Energy: 0.945255929119854
Energy: 0.8733448474528451
Energy: 0.8229864607749251
Energy: 0.9426585089986946
Energy: 0.8220371667345944
Energy: 0.9475104133511969
Energy: 0.8795916548108743
Energy: 0.9425227374846546
Energy: 0.9436915146531439
Energy: 0.8651765835585891
Energy: 0.9420587497235198
Energy: 0.9038434020424785
Energy: 0.833304283461059
Energy: 0.858776269015974
Energy: 0.9044309499501977
Energy: 0.8298893529544529
Energy: 0.9174443176452207
Energy: 0.9354825289043089
Energy: 0.8571757202132101
Energy: 0.9856513556745904
Energy: 0.936910399545073
Energy: 0.7884389682576202
Energy: 0.8690542699567283
Energy: 1.0195988364996185
Energy: 0.9467444682573717
Energy: 0.9513464371386341
Energy: 1.020736578039721
Energy: 1.0426757736920715
Energy: 0.9085557360485038
Energy: 0.978091113048379
Energy: 0.9163120318571347
Energy: 0.96181198114915
Energy: 0.9790310013694593
Energy: 0.9177788945492642
Energy: 0.9096871785024851
Energy: 1.1253914776738507
Energy: 0.9893098434531722
Energy: 1.1004299429006428
Energy: 1.1253341495468312
Energy: 0.9765387468696715
Energy: 1.0961379904165625

minimum gb energy = 0.7884389682576202 eV
minimum distance =  2.32079507725141 Angstroms
sigma value = 11


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

Energy: 1.3849952817297237
Energy: 1.3234569893800194
Energy: 1.2238807538892356
Energy: 1.3865161057160527
Energy: 1.2797280119694976
Energy: 1.1432929026976557
Energy: 1.0798523321381392
Energy: 0.9445853909383368
Energy: 0.9448051001495755
Energy: 1.1368095130792664
Energy: 0.9588714573293302
Energy: 0.9936232238970444
Energy: 1.1679159858538732
Energy: 1.1020037387494876
Energy: 1.1021991513881717
Energy: 1.1692053942170573
Energy: 1.0436208047675648
Energy: 1.1034124674361394
Energy: 1.107870505147399
Energy: 1.0490554148644238
Energy: 1.0282236678317325
Energy: 1.0775151290787075
Energy: 0.9471588584874577
Energy: 1.0573170329865782
Energy: 0.9655893759220734
Energy: 0.9582311833694798
Energy: 0.9891606336916213
Energy: 0.9658134305383642
Energy: 0.959206571352058
Energy: 0.9960742331649002
Energy: 1.079012198929778
Energy: 0.9618461552962746
Energy: 1.0187222119306414
Energy: 1.0605876285881088
Energy: 0.9361961042474934
Energy: 1.0164366484110936
Energy: 0.9480168734709525
Energy: 1.0129912513395036
Energy: 1.018602515275474
Energy: 0.948254875934532
Energy: 1.0351393989667266
Energy: 1.018963833711889
Energy: 0.9575063732369584
Energy: 1.0191027946849345
Energy: 0.9889634486736482
Energy: 0.9577357260154579
Energy: 0.9661451561571237
Energy: 0.9811958456104912
Energy: 1.0418295810283686
Energy: 1.0846512804468764
Energy: 1.0913722451597636
Energy: 0.9742680622552512
Energy: 1.0734931896151674
Energy: 1.1322461182906527
Energy: 0.9190218554788057
Energy: 1.094289888840537
Energy: 1.0914176050537936
Energy: 1.0271352066689026
Energy: 1.1396380369013666
Energy: 1.1320573041495485
Energy: 0.9845483033988632
Energy: 0.9893405899447505
Energy: 1.0107674945962855
Energy: 0.9859239114643723
Energy: 0.9605485461602534
Energy: 0.9691389241346089
Energy: 0.9973536190890607
Energy: 1.2079194373459312
Energy: 1.2077972616818227
Energy: 1.0320566933814757
Energy: 1.0960311750445757
Energy: 1.2077688826643251
Energy: 0.9381209663822053
Energy: 0.9990781705665451
Energy: 1.00848136956913
Energy: 0.9381307725063746
Energy: 1.120095735711687
Energy: 1.0032711370962786
Energy: 1.182850823619417
Energy: 1.1063911459542324
Energy: 1.0861856384942117
Energy: 1.093105541198869
Energy: 1.0992433527743468
Energy: 1.09307397671515
Energy: 0.9258507189564971
Energy: 1.0458216698379914
Energy: 1.0598494973711694
Energy: 0.9259501454959004
Energy: 1.0420013852998435
Energy: 1.058126424697439
Energy: 0.936914134844145
Energy: 1.0045200589812813
Energy: 1.0128386969416638
Energy: 0.9073873061672012
Energy: 0.9875517296223427
Energy: 0.9769213218081679
Energy: 0.9198433990343009
Energy: 1.014008319769799
Energy: 1.0230668385321633
Energy: 0.9200911002125979
Energy: 0.9943591406011644
Energy: 1.0174695456698615
Energy: 1.1195472242400464
Energy: 0.9997518167309081
Energy: 1.037932027302434
Energy: 1.1213330774904762
Energy: 1.0015526858780084
Energy: 1.0099292468106524
Energy: 0.9594303240825584
Energy: 1.0046779228255067
Energy: 0.9968075336747722
Energy: 0.9589759849123343
Energy: 1.0346806754680948
Energy: 1.0118358261313054
Energy: 1.0715399434024309
Energy: 1.1305728357387044
Energy: 1.1305460945114387
Energy: 1.0701588654087346
Energy: 1.0852429597490985
Energy: 1.0649694762514181
Energy: 1.0195950922569386
Energy: 1.0898462355288978
Energy: 1.015737456808947
Energy: 1.010919319537481
Energy: 0.9254713448394716
Energy: 0.9930207388233762
Energy: 0.956162980888605
Energy: 1.0077389222104225
Energy: 0.9908735515940542
Energy: 0.9237393071320738
Energy: 1.0207788552956225
Energy: 0.9928965788889766
Energy: 1.3157142516854845
Energy: 1.1048286486661958
Energy: 1.1026920735060108
Energy: 1.0844308602958632
Energy: 1.1075828172918236
Energy: 1.1027695650030374
Energy: 1.026916281727368
Energy: 0.953629892062815
Energy: 0.9965970802918841
Energy: 1.0361512641723227
Energy: 0.9341824096514126
Energy: 0.9856544749649582
Energy: 1.012037310978511
Energy: 1.0497196274584952
Energy: 1.0321187116212733
Energy: 1.0131593289337988
Energy: 1.064700558122748
Energy: 1.014266502507832
Energy: 1.0377776097708862
Energy: 1.0098037923645673
Energy: 1.01720318361027
Energy: 0.9916960269152093
Energy: 0.911839542564461
Energy: 1.010830997492243
Energy: 1.0663255125654307
Energy: 0.9111372387243399
Energy: 0.9326455652112385
Energy: 1.0351132816359723
Energy: 0.9079011468562633
Energy: 1.0089171624847852
Energy: 1.0175435463203089
Energy: 0.9947955837652299
Energy: 1.0448246544506474
Energy: 0.9858615777225871
Energy: 0.9288842268091101
Energy: 1.049284308188912
Energy: 1.102050648275684
Energy: 1.072478744772817
Energy: 1.0627616008567555
Energy: 1.1016845396457167
Energy: 1.0951664638889647
Energy: 1.0651353691081993
Energy: 1.1241754354986442
Energy: 0.9267271507804145
Energy: 0.9928287343457182
Energy: 1.1374985240293405
Energy: 0.9258803996201911
Energy: 1.0062223030268083
Energy: 1.387738754667927
Energy: 1.0304083798045098
Energy: 1.0632589319223957
Energy: 1.2464215613223024
Energy: 1.1022280491505572
Energy: 1.0630680864134898

minimum gb energy = 0.9073873061672012 eV
minimum distance =  2.30591101340792 Angstroms
sigma value = 57


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

Energy: 1.247327354767543
Energy: 1.0784655218518866
Energy: 1.0765203559402452
Energy: 1.2498612173612547
Energy: 1.4580862246293482
Energy: 1.0787283759319815
Energy: 0.8969400440872265
Energy: 1.0556745482553165
Energy: 1.0584207834608512
Energy: 1.0323656043932743
Energy: 1.1046723253019795
Energy: 1.0342578884177256
Energy: 0.9992208101910445
Energy: 1.0097263672162893
Energy: 1.0114651774483818
Energy: 0.9995746427015483
Energy: 1.0885641592878643
Energy: 0.9950764741027067
Energy: 1.0005118691968644
Energy: 1.0281202437089365
Energy: 0.9799424223690596
Energy: 1.0011092258489576
Energy: 1.0091085390686132
Energy: 0.9799555167299366
Energy: 0.9221378193162681
Energy: 1.052804779833492
Energy: 1.051734342899534
Energy: 0.9225391273926145
Energy: 1.0503732366634975
Energy: 1.0536512853678455
Energy: 1.0945699352539071
Energy: 1.0472267866623794
Energy: 1.0441850690188135
Energy: 1.0124898831451234
Energy: 1.0629442434896663
Energy: 1.043710931138783
Energy: 0.9882501392800678
Energy: 0.9308894726963114
Energy: 1.0066251857843003
Energy: 0.9894478133028481
Energy: 0.9331762111637844
Energy: 1.0363829410406433
Energy: 1.0317584839982077
Energy: 0.9815769455434488
Energy: 1.0261893129830473
Energy: 1.0330436549199462
Energy: 0.9936845428440539
Energy: 1.022113973112489
Energy: 1.107135110071856
Energy: 0.9925538147715128
Energy: 1.075197542195487
Energy: 1.0723844035105399
Energy: 0.9935030819390682
Energy: 1.0722428828513204
Energy: 1.1072232544465574
Energy: 0.9923813697760008
Energy: 1.0740372910977225
Energy: 1.0161462373530328
Energy: 1.0006942135922563
Energy: 1.0723405167090265
Energy: 1.032332771754914
Energy: 1.0154713628421985
Energy: 1.0265106216831308
Energy: 1.0333616304629023
Energy: 0.9958944867165841
Energy: 0.9689029635764865
Energy: 0.9946713545200409
Energy: 1.0940663101139814
Energy: 1.0407224695399306
Energy: 0.9956084151029391
Energy: 1.0903780197782051
Energy: 0.9924988253168003
Energy: 0.9932855641015934
Energy: 1.0129108276225924
Energy: 1.0121380622427147
Energy: 0.9945333101809176
Energy: 1.1061924470621123
Energy: 1.0112590693638717
Energy: 1.093415693231577
Energy: 1.0649545288669842
Energy: 1.0598478196863006
Energy: 1.094132129004028
Energy: 1.0070504351366587
Energy: 1.0618230893907663
Energy: 1.0052711170688178
Energy: 1.0015736704124147
Energy: 1.0523575499641018
Energy: 1.005700855224056
Energy: 0.9319389334374653
Energy: 1.0545797999220736
Energy: 0.9890771882641838
Energy: 0.931778794334125
Energy: 1.0059614553778726
Energy: 0.9893971357351475
Energy: 0.9930305487945359
Energy: 0.989494411379088
Energy: 0.8967754642189659
Energy: 1.0339332155615706
Energy: 1.0331783864083144
Energy: 0.8972158749483179
Energy: 0.9974438901992836
Energy: 1.012551615254355

minimum gb energy = 0.8967754642189659 eV
minimum distance =  2.36229638354417 Angstroms
sigma value = 9


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

Energy: 1.47650650144616
Energy: 1.0213156737833113
Energy: 1.3099554607026764
Energy: 1.321132572341682
Energy: 1.138521024925311
Energy: 1.3135185138287606
Energy: 1.0685646409403287
Energy: 1.0558758683128124
Energy: 1.0491848220346742
Energy: 1.1520965599170416
Energy: 1.0682541523631728
Energy: 1.0086570074801622
Energy: 1.1163764256580546
Energy: 1.0525740642560115
Energy: 1.044246170057652
Energy: 1.1169108067435551
Energy: 1.0876915440430845
Energy: 1.0429419396874258
Energy: 1.0394205621840782
Energy: 1.0328586653640832
Energy: 1.0316650145164392
Energy: 1.0415531351447236
Energy: 1.0368693801035405
Energy: 1.0399670818494324
Energy: 1.027057550695992
Energy: 0.991401430503162
Energy: 0.9939104128607057
Energy: 1.0284689468936368
Energy: 0.9918812791678361
Energy: 0.9975316444766018
Energy: 0.9876062487556934
Energy: 1.0099438416351938
Energy: 0.9902176912737191
Energy: 0.9888781980132615
Energy: 1.0477773862259299
Energy: 0.9945756234483925
Energy: 1.1499851165654513
Energy: 1.0795927832996766
Energy: 1.2927029816489817
Energy: 1.1510072051843567
Energy: 1.134679517139166
Energy: 1.2923895424737801
Energy: 1.06320997765603
Energy: 0.9915725169223246
Energy: 0.9912749385423356
Energy: 1.051193906617437
Energy: 1.0340235343255095
Energy: 0.9916771406583097
Energy: 1.1547273092596821
Energy: 1.0267104511623637
Energy: 1.0019252023024272
Energy: 1.044420328158464
Energy: 1.0533527021473466
Energy: 1.0540313446494485
Energy: 1.15180307131679
Energy: 1.0024032954080149
Energy: 1.001753604958854
Energy: 1.1030053501863415
Energy: 1.0129839040151596
Energy: 1.0089852497521594
Energy: 1.0351342589158234
Energy: 1.0058910272342627
Energy: 1.0025713428931486
Energy: 1.0120650294884073
Energy: 1.0145145414201708
Energy: 0.9804204182325384
Energy: 1.0108510925343053
Energy: 1.0071735428068314
Energy: 1.0045762066813142
Energy: 1.010084642148974
Energy: 0.9931978288028378
Energy: 0.9991990228709521
Energy: 1.1378044296870686
Energy: 1.0479232245415315
Energy: 1.0395367090251872
Energy: 1.0667044316583765
Energy: 1.0466409280250812
Energy: 1.066262234452233
Energy: 1.1850243530250104
Energy: 1.0553773307722762
Energy: 1.048787787760117
Energy: 1.1792020384698212
Energy: 1.0775499218497215
Energy: 1.0496124924383459
Energy: 1.0362590892641261
Energy: 1.0089392803681894
Energy: 0.9932386891934191
Energy: 1.0368543078421981
Energy: 1.0118639689788083
Energy: 1.0243610697277274
Energy: 1.0051171186947598
Energy: 1.2258742037424004
Energy: 1.0582787538309175
Energy: 1.0059762062205393
Energy: 1.1892181929491108
Energy: 0.9988257692425561
Energy: 1.036153065824678
Energy: 1.0220630379715803
Energy: 1.0318162596578524
Energy: 1.0366493678475863
Energy: 1.1464019613210106
Energy: 1.0310769895144878
Energy: 1.0685798604968209
Energy: 1.041690883530251
Energy: 1.041159850077625
Energy: 1.0699660131874627
Energy: 1.0380020128062697
Energy: 1.04239778257422
Energy: 1.0489801679950663
Energy: 1.0584958054850475
Energy: 1.0544258667379718
Energy: 1.050219443988
Energy: 1.028531195610663
Energy: 1.0833165418264388
Energy: 1.07478609312732
Energy: 1.0471236631426277
Energy: 1.055670359914246
Energy: 1.0714096505927257
Energy: 1.0479398475739015
Energy: 1.0518026167954981
Energy: 1.0352125417375404
Energy: 1.0170797246673708
Energy: 1.020257446346172
Energy: 1.0394951375478172
Energy: 1.0153683077349505
Energy: 1.0040954549386965

minimum gb energy = 0.9804204182325384 eV
minimum distance =  2.3257101345731 Angstroms
sigma value = 27


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

Energy: 0.9871178551414149
Energy: 1.0008551961113707
Energy: 0.8931662507839728
Energy: 0.899445325959761
Energy: 1.334748776349373
Energy: 0.9727585675950047
Energy: 1.0115276514541232
Energy: 1.0092438303426856
Energy: 1.0043488074072566
Energy: 1.0045526196062895
Energy: 1.005168163855813
Energy: 1.0727253979758697
Energy: 1.0632036488064913
Energy: 1.0137233835439672
Energy: 0.9583290983184513
Energy: 1.0184841916977196
Energy: 0.9453492957486571
Energy: 1.0167220439217146
Energy: 1.0580264695621486
Energy: 0.9523895377028229
Energy: 1.0621411912406937
Energy: 1.029139781385586
Energy: 0.9759595259055448
Energy: 1.089543359289727
Energy: 0.9957277410856004
Energy: 0.9644265314191671
Energy: 1.0179844417531012
Energy: 0.9837777355615136
Energy: 1.007008365680601
Energy: 1.0139912776256477
Energy: 1.033992068705864
Energy: 1.0275814283235487
Energy: 0.9957345520726203
Energy: 1.0291601388897462
Energy: 1.0490445983048178
Energy: 1.0010636690014527
Energy: 1.0604064507244872
Energy: 0.897106629352351
Energy: 0.8971271759318996
Energy: 0.9982951942323866
Energy: 0.9031727939319095
Energy: 0.8949745932192933
Energy: 1.079707737611765
Energy: 0.9668478900014571
Energy: 1.0376283028553444
Energy: 1.053123444486114
Energy: 0.955394121511574
Energy: 1.0635768856407783
Energy: 1.1480074540768972
Energy: 1.0357596963011202
Energy: 1.029785791405367
Energy: 1.0205957461274529
Energy: 1.0476046426164214
Energy: 1.0261653283517538
Energy: 1.113971172992022
Energy: 1.0015760099744835
Energy: 1.0362397572146862
Energy: 1.02754199289779
Energy: 1.0370879380802163
Energy: 1.0410137847548768
Energy: 1.0790043968636873
Energy: 1.010105584577618
Energy: 1.030759238389208
Energy: 1.068452683458703
Energy: 0.9879185570861266
Energy: 1.0291137733002662
Energy: 1.050029060372113
Energy: 1.0347369320589828
Energy: 0.9873397910634529
Energy: 1.0610724291707658
Energy: 1.0264042884236686
Energy: 0.9920696183732981
Energy: 0.8976443223080509
Energy: 1.0194887053277022
Energy: 0.8935836073454303
Energy: 0.8983898977789292
Energy: 1.0477791604271047
Energy: 0.8936396450707473
Energy: 0.8981506346356897
Energy: 1.0353330453407634
Energy: 1.0612668928279565
Energy: 0.8990188780836428
Energy: 1.0524258051633335
Energy: 0.9623587960460261
Energy: 1.0663124961029176
Energy: 1.0247680410748004
Energy: 1.035801262802861
Energy: 1.0262199324589294
Energy: 1.0216400465211724
Energy: 1.0332681909094332
Energy: 1.086863596931332
Energy: 1.048704482972953
Energy: 1.0462631012201475
Energy: 1.0538892100394972
Energy: 1.0515149454191337
Energy: 1.0212249792548274
Energy: 0.9952993044547475
Energy: 1.0556879527889709
Energy: 1.0832789108610585
Energy: 0.9829670186626931
Energy: 1.062458021686394
Energy: 1.0810883109010878
Energy: 1.0370341200504858
Energy: 1.0461276715153558
Energy: 0.979540324753984
Energy: 1.0279343170370345
Energy: 1.0428313404180503
Energy: 0.9832174647044288
Energy: 1.0799961844384267
Energy: 0.9069355310327579
Energy: 0.8940811222152703
Energy: 1.0717373391800158
Energy: 0.8993761305548565
Energy: 0.8932036660419924
Energy: 1.0773434799416144
Energy: 0.9007728058517255
Energy: 0.8940816483593531
Energy: 1.0216786707733032
Energy: 0.8992911643082133
Energy: 0.8943979201056681
Energy: 1.112310896098011
Energy: 1.0361696409969208
Energy: 1.0290088342626764
Energy: 1.0441176172970836
Energy: 0.9953321477448622
Energy: 0.9800899222232723
Energy: 0.9500946971018741
Energy: 1.0046850387597936
Energy: 1.0408953662025369
Energy: 0.9449194907115349
Energy: 1.085649169559329
Energy: 1.0385837455308473
Energy: 1.138372775998385
Energy: 0.9858212030620657
Energy: 1.0874108938669147
Energy: 1.1134619685529203
Energy: 1.0933549189874385
Energy: 0.9849809852862949
Energy: 1.0799906824917518
Energy: 1.0117379777990647
Energy: 0.9494862655065877
Energy: 1.0008083143319957
Energy: 0.9557213123013781
Energy: 1.0095392950869724
Energy: 0.9878342176603525
Energy: 1.0098606976639046
Energy: 1.005744212127027
Energy: 0.8988359032678294
Energy: 0.9991896945420125
Energy: 1.0248644620309935

minimum gb energy = 0.8931662507839728 eV
minimum distance =  2.35313661646257 Angstroms
sigma value = 19


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

Energy: 1.4164510639746377
Energy: 1.1467694987180677
Energy: 1.4462502947972178
Energy: 1.3144816939555461
Energy: 0.9805104784820016
Energy: 0.9463441716911282
Energy: 1.041614517959248
Energy: 1.0489173719611526
Energy: 1.042843647878463
Energy: 1.1197190229483214
Energy: 1.038954133952203
Energy: 0.9865061265820211
Energy: 1.0518269186195586
Energy: 1.0421020843412727
Energy: 1.0340642626182848
Energy: 1.0480092905074476
Energy: 1.0467984798677286
Energy: 1.025762333250218
Energy: 1.0176793882161703
Energy: 0.9850532656000488
Energy: 0.9862584896564481
Energy: 1.0179128462585172
Energy: 0.991391179921204
Energy: 0.985152724592667
Energy: 0.9286674992682883
Energy: 1.0313487989807635
Energy: 1.0217858340832449
Energy: 0.9298871380555902
Energy: 1.0283600417930019
Energy: 1.0218726289804443
Energy: 1.0360815529250864
Energy: 1.0005883245512757
Energy: 0.987123813005859
Energy: 1.0364736543939008
Energy: 1.119524618514249
Energy: 0.986863616687612
Energy: 1.0085109546587239
Energy: 1.1415904419305045
Energy: 1.1897122125688444
Energy: 1.0046097521724204
Energy: 1.1395766323783334
Energy: 1.1414778563037926
Energy: 1.063141808938617
Energy: 0.9767197934965491
Energy: 0.9857683651305968
Energy: 1.0636194149380396
Energy: 1.0298453012907887
Energy: 1.0085861272399947
Energy: 0.9177647694174755
Energy: 0.9718143737574878
Energy: 0.9402733473792969
Energy: 0.9179511759090518
Energy: 0.9843754707002105
Energy: 0.9567857426114179
Energy: 0.9397144252709184
Energy: 0.9685543167317633
Energy: 0.9637840541515633
Energy: 0.9688849815779949
Energy: 1.02660831279518
Energy: 0.9637449332675958
Energy: 1.176633240831028
Energy: 1.1113767558563583
Energy: 1.0971485170792648
Energy: 1.178057790220813
Energy: 1.1204252690761654
Energy: 1.0944210274746111
Energy: 1.0338908345477895
Energy: 0.9763309345781018
Energy: 0.982867659263773
Energy: 1.0338869500794063
Energy: 1.0007643711026757
Energy: 0.977929511715332
Energy: 1.287022926652584
Energy: 0.9795589660727763
Energy: 0.9601466035295823
Energy: 1.042127810019234
Energy: 0.9786395389539082
Energy: 0.9672241587952511
Energy: 0.9967825816622625
Energy: 0.9766435949705546
Energy: 0.9776909277991039
Energy: 1.0044622673366668
Energy: 0.9899530481319716
Energy: 0.9821769683806981
Energy: 0.9585920019648208
Energy: 0.9407482143633966
Energy: 0.9463809054583594
Energy: 0.9584016651938688
Energy: 0.9023577467516273
Energy: 0.9444985820167173
Energy: 0.9805562785853317
Energy: 0.9522335610235314
Energy: 0.9494263544839933
Energy: 1.0332231248638741
Energy: 0.9309369739235668
Energy: 0.9498657186465259
Energy: 1.1576267417177228
Energy: 0.9572754733985734
Energy: 0.9550326886262035
Energy: 1.1586165052748705
Energy: 0.9570853281898339
Energy: 0.9545533537822504
Energy: 0.9712024639269655
Energy: 0.9856866442040086
Energy: 0.9745869326331743
Energy: 0.9718239539797239
Energy: 1.024753931327881
Energy: 0.9757892026958781
Energy: 1.0068318961772176
Energy: 1.0673000870972322
Energy: 0.9757508391386379
Energy: 1.0084036325362957
Energy: 1.0630824650463373
Energy: 0.9749783321535852
Energy: 0.9564217102692258
Energy: 0.9783640460441366
Energy: 0.9838385785265117
Energy: 0.9574738006891816
Energy: 0.9570946420655968
Energy: 0.9737070141855918
Energy: 0.9016119595734926
Energy: 0.9569010850219697
Energy: 0.940930903397847
Energy: 0.9018775180951187
Energy: 0.9588961730189521
Energy: 0.9389927988354698
Energy: 0.9396073769566478
Energy: 0.9605165659776405
Energy: 0.9592432736649327
Energy: 0.9393723072105241
Energy: 1.008949670684484
Energy: 0.9588056018123542
Energy: 0.9812672876855102
Energy: 0.9933327376610651
Energy: 0.9838364996540168
Energy: 0.9818058662912734
Energy: 0.9969618380628888
Energy: 0.9683564585806719
Energy: 1.0241755886460422
Energy: 0.989536030103414
Energy: 0.9619918791985321
Energy: 1.0117746942091084
Energy: 0.9297841205678684
Energy: 0.9881823685258498
Energy: 0.9778302044594045
Energy: 1.0025360357684339
Energy: 0.9785581793827286
Energy: 0.962972944491839
Energy: 1.0239133057165692
Energy: 0.9727411014834464
Energy: 1.0435181702917966
Energy: 0.993763531422888
Energy: 0.9685861545936569
Energy: 1.026589676140761
Energy: 0.9910411263829759
Energy: 0.9687827496916283
Energy: 0.9922864726290357
Energy: 0.9458897466250613
Energy: 0.9460759574140764
Energy: 0.9913688764535633
Energy: 0.938858990810325
Energy: 0.9475318917273166
Energy: 0.9905744709205849
Energy: 0.9592268364958053
Energy: 0.9735332609018459
Energy: 0.971068049088167
Energy: 0.9518531203523718
Energy: 0.9721105764456351
Energy: 0.9693998727937636
Energy: 0.9853980205769284
Energy: 1.0155080100965477
Energy: 0.9521784366871019
Energy: 1.0122129512417255
Energy: 0.9648738548242316

minimum gb energy = 0.9016119595734926 eV
minimum distance =  2.34202174117112 Angstroms
sigma value = 101


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

Energy: 1.2918068912996008
Energy: 1.4788431473347519
Energy: 1.4996454376667485
Energy: 1.293106623820609
Energy: 1.6728739695527244
Energy: 1.198240519472768
Energy: 1.0271772028735557
Energy: 0.9767926238781094
Energy: 0.9742926678298133
Energy: 1.1369712789485242
Energy: 0.9818811064845252
Energy: 0.9388019819918563
Energy: 1.0388368515494248
Energy: 1.0719166108528184
Energy: 0.9233703285081404
Energy: 1.0398388090856314
Energy: 1.0728879828024285
Energy: 0.9224850748221385
Energy: 0.9800158141668347
Energy: 0.9436092563483106
Energy: 0.9407939033110845
Energy: 0.9810736211127398
Energy: 0.9666474855850073
Energy: 0.9399941248114514
Energy: 0.8840273949299072
Energy: 1.0195651977356712
Energy: 1.0511331115044416
Energy: 0.8857124869292509
Energy: 1.040746271558925
Energy: 0.9181303787539805
Energy: 1.032703837958638
Energy: 0.9396855929334414
Energy: 0.939059430947084
Energy: 1.0333396233314756
Energy: 1.0874099511565651
Energy: 0.9422959978157419
Energy: 0.9957668720832883
Energy: 1.3620137003626178
Energy: 0.9467376657634734
Energy: 0.9952390152270127
Energy: 1.3643431879928136
Energy: 1.2077140242451079
Energy: 1.052877676674338
Energy: 0.9425351487680156
Energy: 0.9412623038770769
Energy: 1.053060852234359
Energy: 0.9626225945401342
Energy: 0.9780642830059687
Energy: 0.8728372825628511
Energy: 0.9392270301432689
Energy: 0.9160646875495457
Energy: 0.874016595707893
Energy: 0.9739050256818055
Energy: 0.9148433838102894
Energy: 0.9177805077222536
Energy: 0.9372309850447825
Energy: 0.9363657805440971
Energy: 0.9505210572177912
Energy: 0.9944460773889421
Energy: 0.9360796561880809
Energy: 1.323823022316415
Energy: 1.2215483681839459
Energy: 1.1843371479645974
Energy: 1.3241271210999022
Energy: 1.2248306979160022
Energy: 1.182011891092587
Energy: 0.9897507604616413
Energy: 0.9449672253577399
Energy: 0.9416760829672415
Energy: 0.9899165250796924
Energy: 0.9514098913344515
Energy: 0.9408586952421912
Energy: 1.083762156871453
Energy: 1.0217890480899523
Energy: 0.9430510206674528
Energy: 1.0840543941391216
Energy: 1.0357802963932246
Energy: 0.9442041499849897
Energy: 0.8945664985170702
Energy: 0.9287354610292509
Energy: 0.9291432849102664
Energy: 0.919776470499422
Energy: 0.970404679761679
Energy: 0.9419656603609147
Energy: 0.9738345670800784
Energy: 0.8885329774643469
Energy: 0.9129179027217956
Energy: 0.9749212909613412
Energy: 0.8874553099235443
Energy: 0.9140885870868807
Energy: 0.9719009076759635
Energy: 0.9326870559720088
Energy: 0.9354719370088374
Energy: 0.9719480885087551
Energy: 0.8716114690521904
Energy: 0.9355038280259053
Energy: 1.2903131294827535
Energy: 1.011083330197125
Energy: 0.9325954365225038
Energy: 1.28412618873072
Energy: 0.991750436485833
Energy: 1.189705345757067
Energy: 0.9773918615216003
Energy: 0.9896850614025927
Energy: 0.9660115372252186
Energy: 0.9782578332887413
Energy: 1.0080498018914215
Energy: 0.9415154654524898
Energy: 1.0364586890345826
Energy: 1.0960745640008946
Energy: 1.0837028023093334
Energy: 1.0414324459463378
Energy: 1.097315660378694
Energy: 0.9305603302317785
Energy: 1.1108639883519096
Energy: 0.9413037685701564
Energy: 0.9307783750241454
Energy: 1.099532900173069
Energy: 1.0957087016472977
Energy: 0.9456242659851711
Energy: 0.8873342921399708
Energy: 0.9523795516550863
Energy: 1.064180626285567
Energy: 0.8889569717707129
Energy: 0.9935976735111307
Energy: 0.9194992989304049
Energy: 0.974787746887858
Energy: 0.9418298551512158
Energy: 0.9403410492490786
Energy: 0.9421690475832011
Energy: 1.0251760865043065
Energy: 0.9432377817561868
Energy: 0.9551696064689094
Energy: 1.1001520888502612
Energy: 0.9373048635014098
Energy: 0.9558494739186723
Energy: 1.1012465775546143
Energy: 0.9410929211104536
Energy: 1.0232263558304318
Energy: 0.9535905911618583
Energy: 0.9536349515662922
Energy: 1.0100425962736532
Energy: 0.9316690634782447
Energy: 0.9686075975232129
Energy: 0.8704051839162861
Energy: 0.9378761195588917
Energy: 0.9304579406040185
Energy: 0.8707697872377081
Energy: 0.9743611853530071
Energy: 0.929385603048456
Energy: 0.9189625393443034
Energy: 0.9449557640184414
Energy: 0.9332357125717551
Energy: 0.8733045172159226
Energy: 1.0230842570535905
Energy: 0.9324799602809337
Energy: 1.1352634879268078
Energy: 1.2176268083288087
Energy: 0.9278414248533047
Energy: 1.073138693751854
Energy: 1.22652063329434
Energy: 0.9286454812768754
Energy: 1.0260512239337114
Energy: 0.9056551685807841
Energy: 0.936411820874631
Energy: 1.0166747775147273
Energy: 0.8890101797343238
Energy: 0.942043475701507
Energy: 0.8948359119835624
Energy: 0.976482202438244
Energy: 0.9291268228702236
Energy: 1.059918801575865
Energy: 0.9757468292356495
Energy: 0.9287898494544202
Energy: 1.0831609821451744
Energy: 0.9707340534588718
Energy: 0.9307542040141897
Energy: 1.0838219670168245
Energy: 0.9704652045534752
Energy: 0.927990485777112
Energy: 0.9798469114291294
Energy: 0.9036504656665334
Energy: 0.94060131334076
Energy: 0.9808271600089619
Energy: 0.8868341678557595
Energy: 0.9408047672334185
Energy: 0.9732852785402046
Energy: 0.9137909424564206
Energy: 0.9293617109636103
Energy: 0.9458967748456442
Energy: 0.8716771593186321
Energy: 0.9349013021544078
Energy: 1.280969760641754
Energy: 0.9849755622536456
Energy: 0.9180490621392174
Energy: 1.2257715156618765
Energy: 0.9840161899782488
Energy: 0.917148449753492

minimum gb energy = 0.8704051839162861 eV
minimum distance =  2.32170317676499 Angstroms
sigma value = 33


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

Energy: 0.015463000142731853
Energy: 0.0161729324708686
Energy: 0.016070280735106527
Energy: 0.017167524561992928
Energy: 0.7213052530300913
Energy: 0.015969694298638405
Energy: 0.01621276453625
Energy: 0.11151452257544632
Energy: 0.1100520933635949
Energy: 0.11139830225405269
Energy: 0.11192647909774162
Energy: 0.1098715712155732
Energy: 1.1095340320940772
Energy: 0.7216081812153837
Energy: 0.7201368735468262
Energy: 0.722477849597675
Energy: 0.7225098201908585
Energy: 0.7202953064842954
Energy: 0.4948324595727744
Energy: 0.1115145225758656
Energy: 0.11005209336401416
Energy: 0.11139830225360875
Energy: 0.11192647909774162
Energy: 0.1098715712155732

minimum gb energy = 0.015463000142731853 eV
minimum distance =  2.52121295660291 Angstroms
sigma value = 1