Model name: model_name=EAM_ErcolessiAdams_1994_Al__MO_324507536345_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032082714140415
cohesive_energy=3.360264268222285
mass=26.981538
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=[2.0219469121079998e-19, 2.6564248809383398e-19, 3.0382075510542e-19, 3.40712474279904e-19, 3.6790301393551795e-19, 3.92257700948952e-19, 4.1432768408230197e-19, 4.3352496451088995e-19, 4.498110899954999e-19, 4.63376719555578e-19, 4.745551059309959e-19, 4.8477058414938e-19, 4.95255228042276e-19, 5.04232223722578e-19, 5.1137472715695e-19, 5.171842196318339e-19, 5.22242291265372e-19, 5.266787183649179e-19, 5.30414994275406e-19, 5.333950428146459e-19, 5.35610853099468e-19, 5.371473404914739e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3801892458037e-19, 5.369967358878779e-19, 5.351269957559999e-19, 5.323231866465e-19, 5.28594921619182e-19, 5.236137544640759e-19, 5.16991958435754e-19, 5.08309763256108e-19, 4.97076902875134e-19, 4.82684550171912e-19, 4.64257916704278e-19, 4.4051045463513e-19, 4.0974385673242797e-19, 3.6964297776004196e-19, 3.1709478851811e-19, 2.4833737826999997e-19, 1.5840928663320418e-19, 4.12278500167416e-20, -1.1152302939816479e-19, -3.07430459061822e-19, -5.54157649814652e-19, -8.579015004416399e-19, -1.239825162101292e-18, -1.7681461115160597e-18, -2.4845754151755e-18, -3.44017764675846e-18, -4.86518558857074e-18, -7.24412949826662e-18, -1.109126001006108e-17, -2.01959171245602e-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: 0.010416749840442122
Energy: 0.23298141262031474
Energy: 0.01080891834309533
Energy: 0.01197870428631515
Energy: 0.2328062891683076
Energy: 0.010834041065288494
Energy: 0.23298141262031474
Energy: 0.05614256142982667
Energy: 0.056285932555389516
Energy: 0.05609011876218488
Energy: 0.05575466088671175
Energy: 0.05625681905813529
Energy: 0.01080891834309533
Energy: 0.056285932553400864
Energy: 0.056451974066704574
Energy: 0.010821164016710698
Energy: 0.05563738203527067
Energy: 0.056296287968564104
Energy: 0.011978704286567233
Energy: 0.05609011876170871
Energy: 0.01082116401623454
Energy: 0.010591758011475206
Energy: 0.056125365933082476
Energy: 0.010810019321749069
Energy: 0.23280628916783142
Energy: 0.05575466088623559
Energy: 0.05563738203527067
Energy: 0.05612536593333455
Energy: 0.05600760927987285
Energy: 0.05624151215169186
Energy: 0.010834041065036413
Energy: 0.05625681905886353
Energy: 0.056296287968564104
Energy: 0.010810019322477311
Energy: 0.05624151214872287
Energy: 0.01087702817753849

minimum gb energy = 0.010416749840442122 eV
minimum distance =  2.84472472263527 Angstroms
sigma value = 1


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

Energy: 0.6423510773608655
Energy: 0.4505516781319368
Energy: 0.42082118543450114
Energy: 0.43518787754557475
Energy: 0.45110564726963187
Energy: 0.4215939044043338
Energy: 0.5905139096829048
Energy: 0.4698330967400569
Energy: 0.4504324307299805
Energy: 0.42685782331800487
Energy: 0.469394050077101
Energy: 0.449862224502492
Energy: 0.6710383618529767
Energy: 0.4244485658018896
Energy: 0.4116946834418816
Energy: 0.4217764512014357
Energy: 0.44674974213728036
Energy: 0.4109877693354663
Energy: 0.6727859165161763
Energy: 0.41078997992645355
Energy: 0.4246111259209069
Energy: 0.40505485137487096
Energy: 0.4106238155416183
Energy: 0.4027040080569517
Energy: 0.6949754474617423
Energy: 0.45088616254028185
Energy: 0.4456085131628572
Energy: 0.43017343040566786
Energy: 0.45064389640615976
Energy: 0.44548182553571053
Energy: 0.5914582318246071
Energy: 0.43419130582134413
Energy: 0.43306508601155175
Energy: 0.4306952137384197
Energy: 0.44631203040673706
Energy: 0.4309974251219694
Energy: 0.5905232336641758
Energy: 0.4501058580364385
Energy: 0.42995428629002175
Energy: 0.43085042933191936
Energy: 0.44398950588015174
Energy: 0.4299919346682161
Energy: 0.5648265627632186
Energy: 0.44200435039782987
Energy: 0.44276403046443336
Energy: 0.4364150856124571
Energy: 0.44216761332018667
Energy: 0.43045649175720396
Energy: 0.4885520194556058
Energy: 0.43120261302225577
Energy: 0.4310652013136751
Energy: 0.4460649232492919
Energy: 0.43170323075879957
Energy: 0.4323431613606496
Energy: 0.4880846169230203
Energy: 0.44493258016013154
Energy: 0.43137927528587533
Energy: 0.44608962168062394
Energy: 0.4370212243015513
Energy: 0.4468680196775587
Energy: 0.5463983080233799
Energy: 0.4173355826219545
Energy: 0.4398231956598823
Energy: 0.5035206608819033
Energy: 0.417550223807899
Energy: 0.4259767848532856
Energy: 0.4699749614805495
Energy: 0.40265992836769887
Energy: 0.4110206518118184
Energy: 0.47010485665970153
Energy: 0.40789609088656387
Energy: 0.41135226439505107
Energy: 0.4680079349791237
Energy: 0.4340562715967344
Energy: 0.43657221793526907
Energy: 0.46799271542221194
Energy: 0.4183719032635258
Energy: 0.450173875700699
Energy: 0.5207975299147579
Energy: 0.4029697826568008
Energy: 0.4273727022702074
Energy: 0.45278891150425804
Energy: 0.4033814070954647
Energy: 0.41150744403062295
Energy: 0.47043639776551693
Energy: 0.44759660858729533
Energy: 0.41660030428215267
Energy: 0.4532723474832334
Energy: 0.4419215620060749
Energy: 0.4568213163407223
Energy: 0.4766572088107733
Energy: 0.4028456413549659
Energy: 0.40277543787792525
Energy: 0.46105200799274054
Energy: 0.40286491504520466
Energy: 0.4032698282403934
Energy: 0.5267764938199072
Energy: 0.4302976237838863
Energy: 0.4297117237307991
Energy: 0.433277254600294
Energy: 0.4299216018395132
Energy: 0.40269676350229516
Energy: 0.5287509111339506
Energy: 0.4472083757097549
Energy: 0.4490015077186211
Energy: 0.444973336537305
Energy: 0.43261867983218893
Energy: 0.4540512477631773
Energy: 0.5288700947140872
Energy: 0.4512409287669749
Energy: 0.45139900272553585
Energy: 0.44543242016288564
Energy: 0.4449723997319901
Energy: 0.44587132090685944
Energy: 0.6829230773647019
Energy: 0.450784211437989
Energy: 0.4503401426935896
Energy: 0.4449488068752981
Energy: 0.4451483038399005
Energy: 0.4451693793479829
Energy: 0.6290626462911179
Energy: 0.42705426520916884
Energy: 0.41666858518449634
Energy: 0.41844040107887265
Energy: 0.4616083163892097
Energy: 0.4164213937949567
Energy: 0.6287896863762605
Energy: 0.4205150514554655
Energy: 0.40311538587483053
Energy: 0.4151019768346277
Energy: 0.4581171140477021
Energy: 0.40312344307431447
Energy: 0.6413325564539433
Energy: 0.45478181785850735
Energy: 0.4556735390676439
Energy: 0.40338519567917114
Energy: 0.4531395418480183
Energy: 0.45531538211826184

minimum gb energy = 0.40265992836769887 eV
minimum distance =  2.61979737884184 Angstroms
sigma value = 33


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

Energy: 0.6996032390938671
Energy: 0.4144994906487994
Energy: 0.3967394476251408
Energy: 0.39489532834784136
Energy: 0.41378026536678725
Energy: 0.39680679647608613
Energy: 0.5894638609460209
Energy: 0.45602226783198874
Energy: 0.4133846219463751
Energy: 0.3978144507657192
Energy: 0.4568917379319461
Energy: 0.4132336702345981
Energy: 0.5908303320718576
Energy: 0.4565046586353141
Energy: 0.45575634044047014
Energy: 0.41348821519321366
Energy: 0.4558519998940857
Energy: 0.4148611155605774
Energy: 0.5893122043111526
Energy: 0.4144727716661509
Energy: 0.41453212768091957
Energy: 0.4137443164908948
Energy: 0.4133136766596974
Energy: 0.41342607323415725
Energy: 0.6947654998081064
Energy: 0.4568903314176885
Energy: 0.45704275613237205
Energy: 0.41266459467453465
Energy: 0.4567919380857802
Energy: 0.45606939564904686
Energy: 0.589470491403626
Energy: 0.41246703779348926
Energy: 0.41287844766743875
Energy: 0.4146072910816622
Energy: 0.4568536444019916
Energy: 0.4116476615065741
Energy: 0.5890434440813017
Energy: 0.4154662619615758
Energy: 0.4160954830745108
Energy: 0.41453425945352035
Energy: 0.43513344825242584
Energy: 0.41661352453394934
Energy: 0.5460927399532023
Energy: 0.45028142506085694
Energy: 0.4481633692309317
Energy: 0.4301013259188601
Energy: 0.4476983447001845
Energy: 0.4496105490637296
Energy: 0.4775335457391441
Energy: 0.44883796092328193
Energy: 0.41147783682855976
Energy: 0.45633858015590256
Energy: 0.44787831241671994
Energy: 0.4129701134592852
Energy: 0.47818286596174486
Energy: 0.4506128489955673
Energy: 0.4559961342685164
Energy: 0.4564994181113471
Energy: 0.45055375418185356
Energy: 0.4560319047488384
Energy: 0.5095431098332834
Energy: 0.3638537416021362
Energy: 0.36381275268514357
Energy: 0.46790917620962824
Energy: 0.3635761608663807
Energy: 0.3642663028486662
Energy: 0.45624933972234566
Energy: 0.36339208168926596
Energy: 0.41322599107914204
Energy: 0.45617066481257845
Energy: 0.36361432645554426
Energy: 0.41329916714797243
Energy: 0.4558948796377085
Energy: 0.369476866721044
Energy: 0.4152744782659789
Energy: 0.45571071378064915
Energy: 0.4114004152674998
Energy: 0.4153828917266129
Energy: 0.5097109890733306
Energy: 0.41464633093084025
Energy: 0.4136158784175241
Energy: 0.4186355742895055
Energy: 0.41384779869853533
Energy: 0.4259265915959964
Energy: 0.478307638098977
Energy: 0.4112058207510226
Energy: 0.4560247507930405
Energy: 0.4574295215412599
Energy: 0.4498771417990553
Energy: 0.4568656089047315
Energy: 0.47810461488440575
Energy: 0.41455073648643026
Energy: 0.4122789768143465
Energy: 0.4564778713093072
Energy: 0.41452950982231435
Energy: 0.41286787874862513
Energy: 0.5458116563159349
Energy: 0.4147420385960717
Energy: 0.414604226327987
Energy: 0.43581876135708203
Energy: 0.41464028653083335
Energy: 0.4169153010309228
Energy: 0.5055620884383477
Energy: 0.41612675057297505
Energy: 0.41561197543872525
Energy: 0.44772756953263676
Energy: 0.4157827942860567
Energy: 0.44870191803061
Energy: 0.5014725912183788
Energy: 0.45652449591228034
Energy: 0.412176701689405
Energy: 0.447635032386103
Energy: 0.45649990808953944
Energy: 0.4113646912453371
Energy: 0.7038402191635429
Energy: 0.4584505714291967
Energy: 0.45672649218928885
Energy: 0.44989971282905844
Energy: 0.458433778227518
Energy: 0.4559609928945574
Energy: 0.6752798980537121
Energy: 0.41169559436042236
Energy: 0.36417043464187665
Energy: 0.3638167535965664
Energy: 0.41870145906142825
Energy: 0.36401924267997066
Energy: 0.6743724597600205
Energy: 0.4138921252004471
Energy: 0.413087737111219
Energy: 0.36392120281483964
Energy: 0.4562211228253382
Energy: 0.4130191432679085
Energy: 0.6927636161111305
Energy: 0.4561042053334602
Energy: 0.4560661649710746
Energy: 0.36929617173171714
Energy: 0.4559589835218491
Energy: 0.41561308112833967
Energy: 0.5996614741189212
Energy: 0.469173190039769
Energy: 0.4698730833202561
Energy: 0.41356273618270306
Energy: 0.46940737582008074
Energy: 0.42497025810005895
Energy: 0.7044827374909443
Energy: 0.4569944315650628
Energy: 0.4566579879186682
Energy: 0.3694177377211707
Energy: 0.4578275336238925
Energy: 0.45636721980067624
Energy: 0.5917110104306342
Energy: 0.41146816352968224
Energy: 0.41216018230096735
Energy: 0.41442012578354587
Energy: 0.455679046587365
Energy: 0.4130796481917145
Energy: 0.5888509614570102
Energy: 0.4167134779820214
Energy: 0.4159574722194346
Energy: 0.4147360056647264
Energy: 0.38393501465443786
Energy: 0.4147647242409639
Energy: 0.5468468233901329
Energy: 0.45131575734005064
Energy: 0.4499811365145651
Energy: 0.4596624593666943
Energy: 0.44769603396227486
Energy: 0.4157297345395329
Energy: 0.4791285543438942
Energy: 0.4507309034818951
Energy: 0.4494642018859751
Energy: 0.4578993378590279
Energy: 0.4476306823958744
Energy: 0.4118030653682289
Energy: 0.4793291322869408
Energy: 0.4499829931122066
Energy: 0.41109052211754743
Energy: 0.4578480687424755
Energy: 0.45114414679426657
Energy: 0.45643740309848146
Energy: 0.47987338593633383
Energy: 0.36362828711847556
Energy: 0.3635378832542334
Energy: 0.41381413940680756
Energy: 0.3636562817697234
Energy: 0.36353611601014696
Energy: 0.4612123945231931
Energy: 0.3637398277201829
Energy: 0.3635536471044757
Energy: 0.4614187792817268
Energy: 0.36381688704344867
Energy: 0.41354570660774004
Energy: 0.4620072691253106
Energy: 0.36980783317882304
Energy: 0.41579949321729165
Energy: 0.4624738935320474
Energy: 0.41129727927180565
Energy: 0.4562279895919368
Energy: 0.4553190400334371
Energy: 0.41482778811185866
Energy: 0.41441411486551083
Energy: 0.4553961972588451
Energy: 0.41439114501867125
Energy: 0.4243099516685762
Energy: 0.4782930547878586
Energy: 0.36975025954596463
Energy: 0.41361210553515504
Energy: 0.4573478591678082
Energy: 0.4113589382273378
Energy: 0.45662738404287245
Energy: 0.47635109813907217
Energy: 0.4108580295739324
Energy: 0.41302942758735706
Energy: 0.456119429895301
Energy: 0.4143636632842569
Energy: 0.4126440328830102
Energy: 0.47809039365137396
Energy: 0.4147386214916891
Energy: 0.41548478103089254
Energy: 0.411743790531152
Energy: 0.4148159080237271
Energy: 0.4164065312487605
Energy: 0.5014206171082002
Energy: 0.4150277198965188
Energy: 0.41636453184131667
Energy: 0.44761157937468254
Energy: 0.46006084048068285
Energy: 0.4163581670647974
Energy: 0.5046376729394144
Energy: 0.4595470654133498
Energy: 0.41641189062064976
Energy: 0.44773352685895257
Energy: 0.4571180244047793
Energy: 0.448524119943566
Energy: 0.6170800997516773
Energy: 0.4560038554055525
Energy: 0.45746696917585883
Energy: 0.4603545302443249
Energy: 0.45632113414491415
Energy: 0.4558965232347094
Energy: 0.6731222544367439
Energy: 0.4135568718543482
Energy: 0.3634877212438288
Energy: 0.36370777742474714
Energy: 0.4136209528497366
Energy: 0.363465473282743

minimum gb energy = 0.36339208168926596 eV
minimum distance =  2.68202054117981 Angstroms
sigma value = 51


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

Energy: 0.664958044869968
Energy: 0.43366772410162474
Energy: 0.4671404311198112
Energy: 0.4222530894949323
Energy: 0.4338227136836249
Energy: 0.4047342319370022
Energy: 0.6326200380771192
Energy: 0.4658180231560947
Energy: 0.46447392317488917
Energy: 0.49851027842436957
Energy: 0.46607477450924134
Energy: 0.43387704196040205
Energy: 0.5973771356490742
Energy: 0.46347708797599146
Energy: 0.40329988460343685
Energy: 0.3730745786929641
Energy: 0.4634365747709592
Energy: 0.3950676468837771
Energy: 0.5972991987975834
Energy: 0.39771078965126405
Energy: 0.3979238491225192
Energy: 0.3858592285092514
Energy: 0.4158356967447109
Energy: 0.3707342081136046
Energy: 0.6326708258925311
Energy: 0.45521249390823154
Energy: 0.455180399011688
Energy: 0.41072071099412966
Energy: 0.4548981709949467
Energy: 0.4549916834600616
Energy: 0.5124525144580092
Energy: 0.455117605048024
Energy: 0.43731140755035824
Energy: 0.4540074587492143
Energy: 0.4550821994007689
Energy: 0.4303581670185806
Energy: 0.512467111105998
Energy: 0.43842990730255915
Energy: 0.4545736625423859
Energy: 0.45395709368546
Energy: 0.410005774099316
Energy: 0.45434208758057987
Energy: 0.5357915978966746
Energy: 0.37676952132098324
Energy: 0.3765063936450638
Energy: 0.4432939974520684
Energy: 0.3767979202912415
Energy: 0.37637939463296166
Energy: 0.4633889811459493
Energy: 0.37662548393565937
Energy: 0.3767465528883953
Energy: 0.43197771972481463
Energy: 0.3760857566856263
Energy: 0.39780987191876266
Energy: 0.46216499199856065
Energy: 0.388601988125636
Energy: 0.41252022975043007
Energy: 0.4624271922765276
Energy: 0.3833745156231875
Energy: 0.4625306318220873
Energy: 0.46739734830643
Energy: 0.3966911942315113
Energy: 0.39632639602733455
Energy: 0.46567866520773077
Energy: 0.4140015372928642
Energy: 0.486205054087698
Energy: 0.46642871878019376
Energy: 0.38884512628794343
Energy: 0.4337117713317626
Energy: 0.45816136349004516
Energy: 0.401533126090633
Energy: 0.4588286672821306
Energy: 0.46623685087874134
Energy: 0.40328415366318504
Energy: 0.4034340407679874
Energy: 0.45805752295801005
Energy: 0.40302482616805135
Energy: 0.42540097993360143
Energy: 0.46650795669313383
Energy: 0.3957076571577797
Energy: 0.41229220748068157
Energy: 0.4250881193738518
Energy: 0.39609739264962673
Energy: 0.4103294709197204
Energy: 0.543844331986353
Energy: 0.41551491725269696
Energy: 0.4137295066567134
Energy: 0.44304207554098607
Energy: 0.4558797601537855
Energy: 0.39571845073694456
Energy: 0.544414303436035
Energy: 0.4251257378166415
Energy: 0.40921924100611495
Energy: 0.4411683968628408
Energy: 0.42477737047016023
Energy: 0.44024418672430754
Energy: 0.6157439712900267
Energy: 0.45859750942787353
Energy: 0.45860088691534284
Energy: 0.40365872121433793
Energy: 0.45939332078495576
Energy: 0.45848659503765415
Energy: 0.6484152713101996
Energy: 0.4353015448054558
Energy: 0.414546565393073
Energy: 0.37583149451291786
Energy: 0.4396032100162286
Energy: 0.4146819457562882

minimum gb energy = 0.3707342081136046 eV
minimum distance =  2.66453150750168 Angstroms
sigma value = 19


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

Energy: 0.5983541628552959
Energy: 0.4407494959698451
Energy: 0.3795653600915771
Energy: 0.38479067830620134
Energy: 0.4575937008813235
Energy: 0.41030759764357827
Energy: 0.6674984477934055
Energy: 0.42900743737063574
Energy: 0.40805621567356737
Energy: 0.3769602530195885
Energy: 0.4081222480811222
Energy: 0.4157430310853523
Energy: 0.6359414276370338
Energy: 0.41748483588631746
Energy: 0.40895584605173574
Energy: 0.40129656066397373
Energy: 0.4393656336769752
Energy: 0.42924192013141704
Energy: 0.4923210404143483
Energy: 0.45017168833251037
Energy: 0.4536803180057104
Energy: 0.4246997401740767
Energy: 0.4537874269339566
Energy: 0.45001084057267204
Energy: 0.6675048140265304
Energy: 0.4628297030106762
Energy: 0.46004835686746387
Energy: 0.44135142133215777
Energy: 0.47377902925537574
Energy: 0.4578923087462046
Energy: 0.5154097397056615
Energy: 0.4159054697556271
Energy: 0.4479479002112813
Energy: 0.4495852334710865
Energy: 0.4155181064700602
Energy: 0.4490331839209849
Energy: 0.514666881203716
Energy: 0.4332316329770268
Energy: 0.44745040320172863
Energy: 0.4483329145379184
Energy: 0.4310539921880211
Energy: 0.4487185092428246
Energy: 0.5111744166395823
Energy: 0.35803519288554136
Energy: 0.35792855506758087
Energy: 0.43714129956432896
Energy: 0.3579431648945575
Energy: 0.3579542955888503
Energy: 0.4484915392156155
Energy: 0.3578223890948328
Energy: 0.35792756141798615
Energy: 0.44834241991663865
Energy: 0.35806031353706996
Energy: 0.3578086091835375
Energy: 0.4496592943778636
Energy: 0.4210149286422058
Energy: 0.4491451402244941
Energy: 0.44854364821635845
Energy: 0.44569317893677907
Energy: 0.44885618845269143
Energy: 0.44878776036830426
Energy: 0.42472590595256454
Energy: 0.4246648470109306
Energy: 0.44868347820703575
Energy: 0.42465491943938954
Energy: 0.4368631562962557
Energy: 0.5400555080696581
Energy: 0.44019874865809705
Energy: 0.45826436176606183
Energy: 0.44259531227340915
Energy: 0.44019756036799296
Energy: 0.4643883055474293
Energy: 0.4160221592476571
Energy: 0.4487594237000434
Energy: 0.4465588414425372
Energy: 0.4171056445952093
Energy: 0.4488284039027671
Energy: 0.4420989341188334
Energy: 0.5322987047452863
Energy: 0.448472879666841
Energy: 0.4486082716907146
Energy: 0.4678107632725591
Energy: 0.4487327869008799
Energy: 0.44856745137533516
Energy: 0.5469532253145815
Energy: 0.4354129835348525
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Energy: 0.35813283245391575
Energy: 0.4494810512409655
Energy: 0.35785625804599747
Energy: 0.5472202762551596
Energy: 0.48047732225406276
Energy: 0.3580684681615348
Energy: 0.3583344287247329
Energy: 0.46326891922632607
Energy: 0.3580255335251278
Energy: 0.6564230640086693
Energy: 0.4487066847814932
Energy: 0.4487394204845662
Energy: 0.4494487000248645
Energy: 0.4502772063984026
Energy: 0.4491651028361589
Energy: 0.493319758724844
Energy: 0.4488583257075944
Energy: 0.4490518938703381
Energy: 0.4246010867869669
Energy: 0.44872938696453446
Energy: 0.4490933353470406
Energy: 0.49198880804720174
Energy: 0.45389661894279626
Energy: 0.4537569473334111
Energy: 0.4248677343995182
Energy: 0.45381920225293326
Energy: 0.4411440749882853
Energy: 0.5146176814108555
Energy: 0.4155356834780786
Energy: 0.4717396606709887
Energy: 0.4550970262378167
Energy: 0.41544174760236074
Energy: 0.4714304526963993
Energy: 0.5140638207185316
Energy: 0.4346406934018064
Energy: 0.4492748403997505
Energy: 0.44915505520654736
Energy: 0.46217557892340577
Energy: 0.44935746891736006
Energy: 0.5136824799536333
Energy: 0.41552989724326445
Energy: 0.4484414054039315
Energy: 0.44842110875615504
Energy: 0.42766311206557656
Energy: 0.4482693530781177
Energy: 0.5442628302664637
Energy: 0.3585719838905557
Energy: 0.3580222704699801
Energy: 0.5449499468875343
Energy: 0.3583036932777898
Energy: 0.3790734964933044
Energy: 0.44895909777171167
Energy: 0.4203733575110459
Energy: 0.43487249720726073
Energy: 0.44824702982506665
Energy: 0.35791339619330637
Energy: 0.4475063445499331
Energy: 0.44908735016571705
Energy: 0.4212807274941831
Energy: 0.4485278549720457
Energy: 0.44839335717016876
Energy: 0.4186858343037248
Energy: 0.44938689649074226
Energy: 0.5153110567300586
Energy: 0.4254819125841281
Energy: 0.4259432712990389
Energy: 0.4544922414338155
Energy: 0.4246325876455779
Energy: 0.4425405873605121
Energy: 0.5215782350205883
Energy: 0.45147990574838937
Energy: 0.45374914303188385
Energy: 0.46284447717988325
Energy: 0.454631660102378
Energy: 0.46779412932862297
Energy: 0.4153782834028303
Energy: 0.44421575087862947
Energy: 0.4395537763658719
Energy: 0.41547054059897237
Energy: 0.43920394281029157
Energy: 0.4422980660922663
Energy: 0.52186454080622
Energy: 0.43029897204031725
Energy: 0.40610495674853925
Energy: 0.40965847883568357
Energy: 0.4304642682977037
Energy: 0.42961087484893273
Energy: 0.5874852113485515
Energy: 0.41983167856156234
Energy: 0.3580364743426423
Energy: 0.35828683137234646
Energy: 0.39428329270346
Energy: 0.3842999404635193

minimum gb energy = 0.3578086091835375 eV
minimum distance =  2.619871398695 Angstroms
sigma value = 27


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

Energy: 0.4810250541971094
Energy: 0.4349634186512086
Energy: 0.4729037163414918
Energy: 0.3318773311542015
Energy: 0.4349258400901045
Energy: 0.5615133525718693
Energy: 0.6157960747230145
Energy: 0.3998248368620358
Energy: 0.3999211768384914
Energy: 0.36136243336510426
Energy: 0.39985520853143125
Energy: 0.3908120790379159
Energy: 0.6088617212657891
Energy: 0.4026254270664989
Energy: 0.40021161350198053
Energy: 0.3606401401061976
Energy: 0.40221934783397745
Energy: 0.4005645520337657
Energy: 0.6110171770208265
Energy: 0.4014070860787242
Energy: 0.3758627321727878
Energy: 0.3606077994119204
Energy: 0.40163567166286024
Energy: 0.3758886179546158
Energy: 0.47934709481119
Energy: 0.3189432584417561
Energy: 0.3630513283472423
Energy: 0.37557862915760093
Energy: 0.31903256937929464
Energy: 0.3626758696548971
Energy: 0.4002685144786472
Energy: 0.3189739988628837
Energy: 0.3188648671584731
Energy: 0.4000485887854214
Energy: 0.3187422912763744
Energy: 0.31889658650794983
Energy: 0.4021807486033595
Energy: 0.36296617615434973
Energy: 0.3614195590830926
Energy: 0.40204568789404976
Energy: 0.3606845976216473
Energy: 0.39990279446837584
Energy: 0.40058482583595384
Energy: 0.3748760947601259
Energy: 0.37555936563388775
Energy: 0.40061933903907554
Energy: 0.3596386325264705
Energy: 0.375254986898989
Energy: 0.4291927485995181
Energy: 0.3617860458772177
Energy: 0.3604420883443363
Energy: 0.4005036290117511
Energy: 0.3600275376426419
Energy: 0.38940630263172527
Energy: 0.3789932774747822
Energy: 0.3698940135577321
Energy: 0.3379005489795036
Energy: 0.3701240709245795
Energy: 0.3714287468439281
Energy: 0.3691721115737837
Energy: 0.4294229002520597
Energy: 0.37033537593849053
Energy: 0.37079908887770674
Energy: 0.370212104706471
Energy: 0.36960747932693927
Energy: 0.3715573009486652
Energy: 0.7192195819690258
Energy: 0.3695259621191965
Energy: 0.37005904936316875
Energy: 0.361343022157309
Energy: 0.37054917373448215
Energy: 0.3892941805221893

minimum gb energy = 0.3187422912763744 eV
minimum distance =  2.6665982879666 Angstroms
sigma value = 9


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

Energy: 0.8116764554771091
Energy: 0.34355653461183727
Energy: 0.4223300609572427
Energy: 0.4223586109463802
Energy: 0.3437165928450313
Energy: 0.4233483033875067
Energy: 0.4795311473027604
Energy: 0.34309896362149184
Energy: 0.3429074134895125
Energy: 0.36120120400388694
Energy: 0.34395656679585446
Energy: 0.3667103535288397
Energy: 0.4815297504441722
Energy: 0.3439385706193327
Energy: 0.3440222537565345
Energy: 0.36012514811621466
Energy: 0.3447323186751768
Energy: 0.3567115515206121
Energy: 0.48145505547043815
Energy: 0.3355210783114837
Energy: 0.3181643879289855
Energy: 0.35874498707451635
Energy: 0.3609435303414212
Energy: 0.36542872405922855
Energy: 0.5365667219631635
Energy: 0.3527020175621451
Energy: 0.34415918322115235
Energy: 0.3472820572145409
Energy: 0.3616983758837321
Energy: 0.33782629486217075
Energy: 0.34704091521748365
Energy: 0.36257997319876784
Energy: 0.34413454321212955
Energy: 0.34692637512735014
Energy: 0.35941719867607586
Energy: 0.3447305854099844
Energy: 0.3483112369329079
Energy: 0.33564611921358195
Energy: 0.3598573091473092
Energy: 0.34840476527475445
Energy: 0.3376323000734262
Energy: 0.34705739799200774
Energy: 0.34715940050314764
Energy: 0.3596335463009592
Energy: 0.3548553562338296
Energy: 0.34731182688587503
Energy: 0.3582260055438562
Energy: 0.3473717344951752
Energy: 0.5531245541997385
Energy: 0.36087875842090744
Energy: 0.33782486155684494
Energy: 0.35329815437568857
Energy: 0.35888562291796444
Energy: 0.3366180594410286
Energy: 0.5622203116012398
Energy: 0.3446817737317679
Energy: 0.3661810606753279
Energy: 0.3580911748564874
Energy: 0.3518460579194594
Energy: 0.330165701443438
Energy: 0.5600901559966036
Energy: 0.34743252090685955
Energy: 0.3472945932395505
Energy: 0.35947713247647184
Energy: 0.3474884075330805
Energy: 0.3757351399503719
Energy: 0.5655921785730967
Energy: 0.3479834946860553
Energy: 0.3475911543877982
Energy: 0.3554911424583672
Energy: 0.34820714306066025
Energy: 0.3767480132985982
Energy: 0.6326635186871357
Energy: 0.34773389788694115
Energy: 0.41622859888180036
Energy: 0.3625392689458551
Energy: 0.3479650641701937
Energy: 0.4183897627052953
Energy: 0.5648474666341002
Energy: 0.3628264978576451
Energy: 0.35334899545014264
Energy: 0.3552366985739369
Energy: 0.36372570415969413
Energy: 0.3579682655482163
Energy: 0.3440082821771531
Energy: 0.35912252697183883
Energy: 0.35949973973720567
Energy: 0.3441666045387985
Energy: 0.36019200806377033
Energy: 0.3697743886352514
Energy: 0.3441089913700673
Energy: 0.3253030355714913
Energy: 0.33573463099824424
Energy: 0.3446192973900581
Energy: 0.36040110132879244
Energy: 0.3433161955506384
Energy: 0.3435625424218939
Energy: 0.34512054759285155
Energy: 0.33771963048461423
Energy: 0.3435725208275911
Energy: 0.35417826221937954
Energy: 0.3436048427928915
Energy: 0.43643635653966323
Energy: 0.3549799665024772
Energy: 0.3628848628683965
Energy: 0.34395759950029037
Energy: 0.35515149092529075
Energy: 0.34841145521228245
Energy: 0.3669756112800408
Energy: 0.3466969740320429
Energy: 0.32835898092359855
Energy: 0.3516304529601989
Energy: 0.34749422831480287
Energy: 0.3489179429523501
Energy: 0.3665541227792711
Energy: 0.34964296316147203
Energy: 0.33074738543212673
Energy: 0.34878570457598673
Energy: 0.349080426154921
Energy: 0.33157147497890355
Energy: 0.36508840805495896
Energy: 0.35004345285838995
Energy: 0.3365232896042254
Energy: 0.3306624757285014
Energy: 0.3507547373747018
Energy: 0.33188576132797176
Energy: 0.664747190821667
Energy: 0.3419116048013276
Energy: 0.3500345574985347
Energy: 0.35838035783165473
Energy: 0.34439810001277804
Energy: 0.35946191447265163
Energy: 0.6676787992480868
Energy: 0.34335035952320764
Energy: 0.34263806502605143
Energy: 0.3611246628544117
Energy: 0.3436345125545028
Energy: 0.3289181338306921
Energy: 0.48096052940638384
Energy: 0.3440164958517897
Energy: 0.3436697004748071
Energy: 0.36006811248858867
Energy: 0.34503126556093094
Energy: 0.35651663105860903
Energy: 0.49524177123995083
Energy: 0.32474579300817075
Energy: 0.3508515933196845
Energy: 0.3498846291814341
Energy: 0.3461224724379586
Energy: 0.36902061963931915
Energy: 0.481333175460713
Energy: 0.3455338570635763
Energy: 0.3356956552399453
Energy: 0.35200125513410285
Energy: 0.35522960068894605
Energy: 0.3567450209767248
Energy: 0.40821228747801286
Energy: 0.3603204590812539
Energy: 0.38860506531136474
Energy: 0.430255175695683
Energy: 0.3622364529869028
Energy: 0.35088990026739414
Energy: 0.34753706476231316
Energy: 0.3386572446314998
Energy: 0.3356060033329767
Energy: 0.347557914356338
Energy: 0.3499105009539818
Energy: 0.3475066439552769
Energy: 0.3481922513461678
Energy: 0.3484229057697294
Energy: 0.33656663992906216
Energy: 0.34810118045219784
Energy: 0.35811037049685285
Energy: 0.3476556895064276
Energy: 0.5330217103020567
Energy: 0.35918486702836083
Energy: 0.33736631770684483
Energy: 0.3743931463019495
Energy: 0.35820802203996555
Energy: 0.36198692965440793
Energy: 0.5607526230139739
Energy: 0.3481240199224325
Energy: 0.37859354066254475
Energy: 0.3597670648849084
Energy: 0.3518255552208172
Energy: 0.33734648874863027
Energy: 0.5901807212743087
Energy: 0.3471947012026102
Energy: 0.34719251142667185
Energy: 0.35835566082472886
Energy: 0.34705177372694745
Energy: 0.3308092168270028
Energy: 0.4618647404792676
Energy: 0.3476790115969451
Energy: 0.3474687414268315
Energy: 0.33683759468883373
Energy: 0.34888784108741583
Energy: 0.36209998068238664
Energy: 0.6182903312967201
Energy: 0.34818910805659065
Energy: 0.3480049395946676
Energy: 0.36256528616986733
Energy: 0.34822679976800547
Energy: 0.33640207097565183
Energy: 0.6147473546410804
Energy: 0.34736066439300955
Energy: 0.35350535967624797
Energy: 0.3607581123915214
Energy: 0.34743758814741577
Energy: 0.3382184810377393
Energy: 0.42668216196534003
Energy: 0.3562458300873656
Energy: 0.36027573494141135
Energy: 0.34225467707703455
Energy: 0.3580152702945523
Energy: 0.3385078169646832
Energy: 0.34415529716023435
Energy: 0.35916973593355606
Energy: 0.3337164196448639
Energy: 0.3447868231209845
Energy: 0.3569619445942498
Energy: 0.3243792223997312
Energy: 0.3434852256335106
Energy: 0.32728643630753956
Energy: 0.3298754850834641
Energy: 0.34362733201539536
Energy: 0.3450362667222501
Energy: 0.3249367159292541
Energy: 0.5411058729991987
Energy: 0.3879265514533064
Energy: 0.4776341252020499
Energy: 0.5425113100341669
Energy: 0.37212998164049105
Energy: 0.35143846065933393
Energy: 0.36527094378797437
Energy: 0.3298181959778974
Energy: 0.3303499455499143
Energy: 0.34392417552949867
Energy: 0.34470584379206315
Energy: 0.32571985823043653
Energy: 0.3660179364548829
Energy: 0.32897484403601485
Energy: 0.3257454359673051
Energy: 0.34896573691212324
Energy: 0.3508688077860495
Energy: 0.334072587387858
Energy: 0.3672453072308106
Energy: 0.35003826602398724
Energy: 0.35135013171910007
Energy: 0.3287798010033804
Energy: 0.3495306920527355
Energy: 0.3373135662733031
Energy: 0.6665502461475405
Energy: 0.3430399168844456
Energy: 0.34386470507183997
Energy: 0.3605875390779291
Energy: 0.34373914873774863
Energy: 0.3289294768812305

minimum gb energy = 0.3181643879289855 eV
minimum distance =  2.66365619631797 Angstroms
sigma value = 57


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

Energy: 0.2742381466447895
Energy: 0.2987940108082526
Energy: 0.14319888115841053
Energy: 0.1437196280962318
Energy: 0.29853915921977625
Energy: 0.25130622654720863
Energy: 0.3863812340923518
Energy: 0.2852886422805265
Energy: 0.2932308290859336
Energy: 0.28722167928221687
Energy: 0.2899212201211539
Energy: 0.2838872507111714
Energy: 0.38483543454097136
Energy: 0.37119309022860597
Energy: 0.35277121385236815
Energy: 0.32916322202415804
Energy: 0.3532524916648889
Energy: 0.37661520761106704
Energy: 0.37865287891191274
Energy: 0.3552755315348829
Energy: 0.3619624601967793
Energy: 0.3401482874964005
Energy: 0.3421175735455563
Energy: 0.35057954264462166
Energy: 0.3640653941946485
Energy: 0.20596543850450225
Energy: 0.2055040753446622
Energy: 0.35559131290072554
Energy: 0.14285946811673972
Energy: 0.3403040144739229
Energy: 0.36054237823757895
Energy: 0.2087045819165079
Energy: 0.20881222244283126
Energy: 0.3593418440642802
Energy: 0.14265729767643479
Energy: 0.15713836559756014
Energy: 0.36073350052014325
Energy: 0.3483782129697532
Energy: 0.3470787433782823
Energy: 0.3583671354608933
Energy: 0.33790870729927686
Energy: 0.3542357408928093
Energy: 0.3581601809725725
Energy: 0.3733234304816067
Energy: 0.38020179745455424
Energy: 0.3542014828809407
Energy: 0.34241717815721145
Energy: 0.35881178503289557
Energy: 0.3642852165510873
Energy: 0.3571526265203905
Energy: 0.35778613001435966
Energy: 0.3658221379174422
Energy: 0.3619381918531059
Energy: 0.3623616210251084
Energy: 0.1426166738397809
Energy: 0.36991721992437293
Energy: 0.15744557685398475
Energy: 0.1425486045460441
Energy: 0.37451897783271876
Energy: 0.14436661984159066
Energy: 0.1425858455534763
Energy: 0.3603356490797946
Energy: 0.3666231346848829
Energy: 0.14270080102859364
Energy: 0.3589316911998768
Energy: 0.14415687879319963
Energy: 0.36476130163248616
Energy: 0.3605270119538178
Energy: 0.36120274569237515
Energy: 0.3504456230819091
Energy: 0.35443063240911293
Energy: 0.3493879502443196
Energy: 0.3780050876084503
Energy: 0.3576112901157999
Energy: 0.35694570501648065
Energy: 0.36293593393774765
Energy: 0.39463428550916463
Energy: 0.3869143905896808
Energy: 0.3747246723743242
Energy: 0.34433211302590866
Energy: 0.34653259403272774
Energy: 0.35808954693416883
Energy: 0.34571944511071345
Energy: 0.3583281143313492
Energy: 0.4389952861500922
Energy: 0.14255470075727875
Energy: 0.14254251736846263
Energy: 0.3761027012068725
Energy: 0.20820140889942534
Energy: 0.2050536409813375
Energy: 0.343766203963566
Energy: 0.3279643810895167
Energy: 0.34464824133802485
Energy: 0.3500068018622185
Energy: 0.20770794733113068
Energy: 0.34846320843542816
Energy: 0.35135640848141547
Energy: 0.3364898909665466
Energy: 0.3393837161172745
Energy: 0.33974584912028827
Energy: 0.3611135858740495
Energy: 0.36071351875395397
Energy: 0.3860097088253871
Energy: 0.2879892216875237
Energy: 0.2951784021955673
Energy: 0.2876930600611298
Energy: 0.3428947298920552
Energy: 0.2898018473469733
Energy: 0.25920140229064514
Energy: 0.2969343757277548
Energy: 0.2924234304376344
Energy: 0.14263133988404156
Energy: 0.2897695693127845
Energy: 0.2841271892309016

minimum gb energy = 0.14254251736846263 eV
minimum distance =  2.66439812065373 Angstroms
sigma value = 11


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

Energy: 0.69390630847375
Energy: 0.6188013677048175
Energy: 0.3859377108514577
Energy: 0.3930892632884848
Energy: 0.6187691931536119
Energy: 0.3856488803213015
Energy: 0.3981702287478993
Energy: 0.3096606636183177
Energy: 0.31204044450969526
Energy: 0.3119102860320811
Energy: 0.30287950059234336
Energy: 0.31360006048084754
Energy: 0.3027162276381611
Energy: 0.3042403353720265
Energy: 0.306554195035217
Energy: 0.30350663831615804
Energy: 0.3054921808525957
Energy: 0.308111651548424
Energy: 0.30289436396477065
Energy: 0.3135757806911898
Energy: 0.3155179198184728
Energy: 0.3033979246101471
Energy: 0.29895081357467723
Energy: 0.3088186216334883
Energy: 0.30184476982754727
Energy: 0.3172196091721366
Energy: 0.30125932283543827
Energy: 0.30883667432782735
Energy: 0.33811087548044044
Energy: 0.3094687128294955
Energy: 0.40986178205164986
Energy: 0.29979285960099217
Energy: 0.30920620026060863
Energy: 0.3251949508061104
Energy: 0.33430668827371973
Energy: 0.2997879052840839
Energy: 0.3973118567629154
Energy: 0.31453551922422657
Energy: 0.3072445019862735
Energy: 0.30598902250710774
Energy: 0.30872049308289085
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Energy: 0.3395615164500818
Energy: 0.32864237700644716
Energy: 0.32574802797803265
Energy: 0.32396214294691084
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Energy: 0.30992803110721634
Energy: 0.32221154140490205
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Energy: 0.32526693653597805
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Energy: 0.3110631578375539
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Energy: 0.33822726488679716
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Energy: 0.32208722225483577
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Energy: 0.43070034655189277
Energy: 0.42893408525220916
Energy: 0.33635228484497115
Energy: 0.35626755538612326
Energy: 0.31464882330752564
Energy: 0.5386097549532649
Energy: 0.32082230081462615
Energy: 0.3210346815578151
Energy: 0.3097419488409645
Energy: 0.32894203694233903
Energy: 0.3220192676168962
Energy: 0.4728422430239674
Energy: 0.40729803788059354
Energy: 0.31385760561273407
Energy: 0.41328775421668473
Energy: 0.36230872383365975
Energy: 0.3133629961298468
Energy: 0.5347287246870065
Energy: 0.3130096773032596
Energy: 0.3224857285347918
Energy: 0.3341747938946278
Energy: 0.3271264121076379
Energy: 0.3261674920150272
Energy: 0.5042049724189827
Energy: 0.32461299959016193
Energy: 0.33051543764252944
Energy: 0.3122899640005479
Energy: 0.34100453238104567
Energy: 0.3163952819483217
Energy: 0.3969578410726916
Energy: 0.44363675497308164
Energy: 0.32302378048512376
Energy: 0.30237773839449433
Energy: 0.3572625318528632
Energy: 0.3484238627839778
Energy: 0.5199264226140908
Energy: 0.32205649422840293
Energy: 0.3099132805727191
Energy: 0.3014478897331038
Energy: 0.3288360930621133
Energy: 0.3090423684089674
Energy: 0.43437026622041636
Energy: 0.4036711178106922
Energy: 0.40484782345058345
Energy: 0.43435082356745225
Energy: 0.40302857448970875
Energy: 0.31143093137682726
Energy: 0.31540895931222723
Energy: 0.31851525910942713
Energy: 0.31593421650994646
Energy: 0.31145625018863776
Energy: 0.32795789017782817
Energy: 0.3104839456408319
Energy: 0.3162224018918215
Energy: 0.3221158451639643
Energy: 0.3054648674087155
Energy: 0.31717728809613255
Energy: 0.3039028691659507
Energy: 0.3136390530482943
Energy: 0.4014739313959706
Energy: 0.3063239625372113
Energy: 0.30820038604895333
Energy: 0.31123379295015136
Energy: 0.303422828753561
Energy: 0.30698537790649194
Energy: 0.5401589921916988
Energy: 0.31754081472450085
Energy: 0.3090433413966336
Energy: 0.34236531732544123
Energy: 0.31172535673903673
Energy: 0.2933068079824433

minimum gb energy = 0.28658290410079473 eV
minimum distance =  2.67980793434031 Angstroms
sigma value = 41


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

Energy: 0.6720664382988865
Energy: 0.3345576399183186
Energy: 0.42099633735607345
Energy: 0.44904918715805836
Energy: 0.33454905520384226
Energy: 0.44887775354635806
Energy: 0.46746057329153873
Energy: 0.3323817021360073
Energy: 0.33279997171448605
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Energy: 0.33627927160918636
Energy: 0.3322897392565352
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Energy: 0.33397084358245727
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Energy: 0.3358207938230274
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Energy: 0.32561083150416703
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Energy: 0.34102634357958667
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Energy: 0.3353928576446752
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Energy: 0.3333452870542515
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Energy: 0.3386897733639409
Energy: 0.3306651822831839
Energy: 0.3945168138707767
Energy: 0.373778057253395
Energy: 0.37388548594447935
Energy: 0.3062091790890639
Energy: 0.37458264070477926
Energy: 0.3052455800092218
Energy: 0.47984727610753075
Energy: 0.34343191961116526
Energy: 0.34740083392443755
Energy: 0.34403236377279633
Energy: 0.3362900002284683
Energy: 0.34203242795401295
Energy: 0.4696666183590475
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Energy: 0.34654668307523306
Energy: 0.3365377356932445
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Energy: 0.3373331949740553
Energy: 0.4712792587009539
Energy: 0.34813148788283166
Energy: 0.3460775099920264
Energy: 0.34160644479685326
Energy: 0.34501331547025954
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Energy: 0.5358234065390509
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Energy: 0.3417597359047061
Energy: 0.30755553445093226
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Energy: 0.3382742709506762
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Energy: 0.3371819334963749
Energy: 0.3312028267331438
Energy: 0.42049281070780054
Energy: 0.413767647660841
Energy: 0.41369040301063703
Energy: 0.4213963660328582
Energy: 0.4137398585609182
Energy: 0.4133373772858556
Energy: 0.47930945666862895
Energy: 0.3452324352024576
Energy: 0.33162348407612774
Energy: 0.3436068378223142
Energy: 0.33630515063809574
Energy: 0.3328715372410758
Energy: 0.35855432614345795
Energy: 0.37866519931408404
Energy: 0.37699759256191967
Energy: 0.35866416010764646
Energy: 0.377905996706402
Energy: 0.30516828928360845
Energy: 0.4706316582502929
Energy: 0.343272438902982
Energy: 0.3346794532076005
Energy: 0.34376117096678227
Energy: 0.3369171964726504
Energy: 0.33016793874553013
Energy: 0.47183950066863545
Energy: 0.3456256589404652
Energy: 0.34626767044324264
Energy: 0.3418379994328911
Energy: 0.3471710362562295
Energy: 0.34640482601648803
Energy: 0.4698037422638123
Energy: 0.34617294002284704
Energy: 0.3376540506649434
Energy: 0.3358940005015548
Energy: 0.3455989523937872
Energy: 0.3373730266635396
Energy: 0.6101409337284451
Energy: 0.3343684104006933
Energy: 0.3447492425298511
Energy: 0.3455417130776997
Energy: 0.3236278581348965
Energy: 0.3461576507625774
Energy: 0.33971318179095267
Energy: 0.35817960334758786
Energy: 0.3577513979184887
Energy: 0.33802676141034876
Energy: 0.3576255470983608
Energy: 0.4435039644860172
Energy: 0.3365508615659382
Energy: 0.34503701209210136
Energy: 0.3382987001552315
Energy: 0.3367644260915715
Energy: 0.3528494496133838
Energy: 0.3431337415552906
Energy: 0.3736069185260502
Energy: 0.33935509172871225
Energy: 0.3570210155537012
Energy: 0.37462821202939256
Energy: 0.3341859110543566
Energy: 0.3579678009277244
Energy: 0.46804433869731593
Energy: 0.3351500709501508
Energy: 0.3329524591799273
Energy: 0.3541181137814864
Energy: 0.33596662292786805
Energy: 0.3351450637506228
Energy: 0.5835276200473442
Energy: 0.34598856208916534
Energy: 0.324115203593778
Energy: 0.32066913707676314
Energy: 0.3439061593615064
Energy: 0.32435766447177006

minimum gb energy = 0.30516828928360845 eV
minimum distance =  2.67231563074782 Angstroms
sigma value = 33


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

Energy: 0.48316746985519465
Energy: 0.3984066648430615
Energy: 0.4065915174295472
Energy: 0.33040388575038226
Energy: 0.3983843683308523
Energy: 0.42396680568174516
Energy: 0.5435746982675662
Energy: 0.357304678718602
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Energy: 0.35877979827869816
Energy: 0.37229161890090706
Energy: 0.399227335946623
Energy: 0.3707523387242851
Energy: 0.36761280618036973
Energy: 0.40733165811555994
Energy: 0.35865180784562367
Energy: 0.3770068825492693
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Energy: 0.37893821014916074
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Energy: 0.4057801071326121
Energy: 0.38347631744787686
Energy: 0.3716675302083502
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Energy: 0.3654627817332006
Energy: 0.3941275078176749
Energy: 0.42058641901038
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Energy: 0.3732426811173185
Energy: 0.3631249852009954
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Energy: 0.37652564451614795
Energy: 0.39457731896548626
Energy: 0.3533912858045192
Energy: 0.3975236645321139
Energy: 0.3704280897181558
Energy: 0.46772284547115495
Energy: 0.37775696818972165
Energy: 0.384600711422302
Energy: 0.4752457720378423
Energy: 0.3863132146411219
Energy: 0.37674634467734924
Energy: 0.5387495884281986
Energy: 0.3573417261627023
Energy: 0.3719910447177003
Energy: 0.3579484318837995
Energy: 0.37008707065100466
Energy: 0.38452334083017603
Energy: 0.6920256495425633
Energy: 0.3569354821024819
Energy: 0.3443615862921182
Energy: 0.33224923845979515
Energy: 0.49158984208518297
Energy: 0.36519940641564713

minimum gb energy = 0.33040388575038226 eV
minimum distance =  2.62515962302081 Angstroms
sigma value = 67


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

Energy: 0.5541102814197238
Energy: 0.5886562708000389
Energy: 0.3459148192474744
Energy: 0.3464471336135703
Energy: 0.5913052537216453
Energy: 0.34570574839679763
Energy: 0.3997564400998087
Energy: 0.3712242177062709
Energy: 0.3704919256586615
Energy: 0.36911011833083834
Energy: 0.3712533472208943
Energy: 0.37048612713362783
Energy: 0.40601649826749076
Energy: 0.3386141365219358
Energy: 0.36185525192928836
Energy: 0.36062251221547925
Energy: 0.33921076128193717
Energy: 0.3617292765584651
Energy: 0.40418706045731173
Energy: 0.36379718508013936
Energy: 0.36214942661396066
Energy: 0.36639308899977296
Energy: 0.3625330332477945
Energy: 0.36224817758032224
Energy: 0.3996911309152554
Energy: 0.3705039028449608
Energy: 0.3705405331836655
Energy: 0.4004641916879918
Energy: 0.36476497131753866
Energy: 0.3711353988713617
Energy: 0.39949426320935155
Energy: 0.35415904012194455
Energy: 0.3702894342280013
Energy: 0.40028141151991525
Energy: 0.3533388815828608
Energy: 0.37075871367806584
Energy: 0.4508066222407474
Energy: 0.3702766924608269
Energy: 0.37157068570484825
Energy: 0.3406806517432842
Energy: 0.37041828910890473
Energy: 0.3707759118559537

minimum gb energy = 0.3386141365219358 eV
minimum distance =  2.70737813709876 Angstroms
sigma value = 3


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

Energy: 0.7741990761690429
Energy: 0.676529373936348
Energy: 0.46281890251607727
Energy: 0.42611401274709226
Energy: 0.6753314863232472
Energy: 0.46471978646873807
Energy: 0.3963197123214194
Energy: 0.458787954544778
Energy: 0.39877304334976194
Energy: 0.39957009071568356
Energy: 0.48446254709767383
Energy: 0.3974310164049149
Energy: 0.40220261334170276
Energy: 0.39433189944847874
Energy: 0.3944485504297517
Energy: 0.39689487684219077
Energy: 0.3955270120938425
Energy: 0.3968097976109977
Energy: 0.3978731887994025
Energy: 0.3958423941696601
Energy: 0.39614788869054673
Energy: 0.39881314172262355
Energy: 0.3937462407731165
Energy: 0.3958460413574739
Energy: 0.4070651748351839
Energy: 0.39750303932310077
Energy: 0.39774657501068317
Energy: 0.4077364049370266
Energy: 0.39740159807146014
Energy: 0.3996676389680348
Energy: 0.4364590193612641
Energy: 0.3973245632453551
Energy: 0.39770478223880384
Energy: 0.4566220483411882
Energy: 0.42183348405951715
Energy: 0.3979753171921755
Energy: 0.39759095719068643
Energy: 0.46092073462049804
Energy: 0.4299902654333763
Energy: 0.4029568379588369
Energy: 0.47390583162594735
Energy: 0.42885349971429726
Energy: 0.5451578606140706
Energy: 0.44890337945194964
Energy: 0.49476235060154056
Energy: 0.39754359762545405
Energy: 0.42213276171049563
Energy: 0.448014550226954
Energy: 0.44717690186126485
Energy: 0.4609667336029882
Energy: 0.42868322280139876
Energy: 0.44657969791779545
Energy: 0.47408232926692023
Energy: 0.4045709188081041
Energy: 0.5306783018201835
Energy: 0.41071999373465595
Energy: 0.4106027276723503
Energy: 0.49493941265898517
Energy: 0.3965048863810833
Energy: 0.3932103039323728
Energy: 0.4668634387368941
Energy: 0.42196512876938325
Energy: 0.41955500224566833
Energy: 0.46574910099557315
Energy: 0.45635030451438136
Energy: 0.46149798783693513
Energy: 0.48913746287989157
Energy: 0.4239980024880162
Energy: 0.40049254480786034
Energy: 0.4398137457997339
Energy: 0.44368224885838137
Energy: 0.4003762327408585
Energy: 0.4652049268683206
Energy: 0.4013679696485451
Energy: 0.40026071120340617
Energy: 0.4023555804546792
Energy: 0.401359464916507
Energy: 0.3988467623510105
Energy: 0.5119656228572821
Energy: 0.40299392848308396
Energy: 0.3983398313888151
Energy: 0.4257703573429243
Energy: 0.399586077578491
Energy: 0.3981076616111197
Energy: 0.48866653674724336
Energy: 0.3986282297360764
Energy: 0.39978706898952615
Energy: 0.3962859255789654
Energy: 0.39847538577504593
Energy: 0.46232823642011567
Energy: 0.5373893751284691
Energy: 0.4019344530856413
Energy: 0.4002846005595816
Energy: 0.46836572044148445
Energy: 0.4136083454431331
Energy: 0.3982932661467649
Energy: 0.5247949430929298
Energy: 0.43264003182418553
Energy: 0.4314727688065593
Energy: 0.5000820855295568
Energy: 0.39421534523481616
Energy: 0.46215965184893126
Energy: 0.5074475962621045
Energy: 0.4305480990266801
Energy: 0.4222053409845925
Energy: 0.5054667970509588
Energy: 0.4340646787948246
Energy: 0.43198784517486954
Energy: 0.5586695912642442
Energy: 0.4171484663769416
Energy: 0.4218362861096072
Energy: 0.3967117311405305
Energy: 0.4741203444927509
Energy: 0.3968785407857149
Energy: 0.5109441762708647
Energy: 0.4216974152932197
Energy: 0.4215448946982229
Energy: 0.39691763076124714
Energy: 0.42503457256288246
Energy: 0.40921160658817196
Energy: 0.44254956500509357
Energy: 0.42584714185036804
Energy: 0.42607943822224326
Energy: 0.45580351435799266
Energy: 0.4239762282024807
Energy: 0.424215007094458
Energy: 0.43597246462369266
Energy: 0.45807395078495816
Energy: 0.4471029461180845
Energy: 0.4406193855215168
Energy: 0.44630724096751057
Energy: 0.4480191414906877
Energy: 0.42864906227453337
Energy: 0.42265163583364423
Energy: 0.44504184349956644
Energy: 0.4306325649680928
Energy: 0.4236752664404963
Energy: 0.4429929861890175
Energy: 0.42915319962244974
Energy: 0.397900227230095
Energy: 0.39807676899065886
Energy: 0.4293020154496318
Energy: 0.3976780239343706
Energy: 0.42873986112094203
Energy: 0.3959167663332199
Energy: 0.3914935061629364
Energy: 0.39094158370982096
Energy: 0.4419661306921082
Energy: 0.47622368784088204
Energy: 0.390886390898985
Energy: 0.6720926357458121
Energy: 0.4045241788402523
Energy: 0.4813874800728043
Energy: 0.3899405115220189
Energy: 0.48018359056009147
Energy: 0.40418216760335357
Energy: 0.5758153336995435
Energy: 0.40067861646957603
Energy: 0.4798149338946941
Energy: 0.38993179940605366
Energy: 0.5005125018318676
Energy: 0.4283635620411293
Energy: 0.4030603468417866
Energy: 0.3913009207763908
Energy: 0.3910659391255236
Energy: 0.4215818628675324
Energy: 0.3928148708461609
Energy: 0.39095955901846496
Energy: 0.4083950093892694
Energy: 0.3962351547701952
Energy: 0.3960598732012281
Energy: 0.40857494577176645
Energy: 0.3960101927771884
Energy: 0.4058519738410197
Energy: 0.40377881300277835
Energy: 0.4187571073911817
Energy: 0.41579887951577105
Energy: 0.4052319663184345
Energy: 0.43711594184515196
Energy: 0.4100706609196668
Energy: 0.40957839780098404
Energy: 0.41995304980449466
Energy: 0.41163143565335314
Energy: 0.4192646865063263
Energy: 0.4201505578589111
Energy: 0.4201543204474325
Energy: 0.4091820505070998
Energy: 0.4226087823832511
Energy: 0.4200254298633288
Energy: 0.418256434146349
Energy: 0.46801643801171594
Energy: 0.41588267305796894
Energy: 0.534063352500904
Energy: 0.4599212857741734
Energy: 0.39820014871774856
Energy: 0.39641849249412453
Energy: 0.45689179572752536
Energy: 0.43184765444990986
Energy: 0.5592009303357712
Energy: 0.4174139669882446
Energy: 0.403931325906589
Energy: 0.3938605093013097
Energy: 0.4903704601284432
Energy: 0.43477742269930897
Energy: 0.43377624009103133
Energy: 0.4220331779435467
Energy: 0.41598252651592355
Energy: 0.43032314851779513
Energy: 0.4251779272705401
Energy: 0.4240510428296642
Energy: 0.4739764077969905
Energy: 0.4096814462057583
Energy: 0.4100031187422622
Energy: 0.47003348327314365
Energy: 0.3973529444693085
Energy: 0.4308002471166339
Energy: 0.4844164931598432
Energy: 0.4039724953860974
Energy: 0.4014091208138393
Energy: 0.46094843083342196
Energy: 0.4373254671267363
Energy: 0.4487245044180991
Energy: 0.46055118237514786
Energy: 0.4482765784059722
Energy: 0.4510413400292157
Energy: 0.40243162836080565
Energy: 0.42591198094605404
Energy: 0.43514316501256145
Energy: 0.44580477596738094
Energy: 0.40266866600778406
Energy: 0.40171663630937193
Energy: 0.43983053877652883
Energy: 0.40054272666120194
Energy: 0.40126868476240113
Energy: 0.5031729352429014
Energy: 0.3987037966119551
Energy: 0.39924389909475333
Energy: 0.39644537700299726
Energy: 0.4056334737048518
Energy: 0.399017433940239
Energy: 0.5230379280252805
Energy: 0.4020038677496313
Energy: 0.397101438123173
Energy: 0.39924253318819786
Energy: 0.41911395271592233
Energy: 0.39702492376773113
Energy: 0.5244304373548075
Energy: 0.44708241743305543
Energy: 0.44692146610780126
Energy: 0.5114439857092237
Energy: 0.3933031025274385
Energy: 0.4160103557052694
Energy: 0.529263050406075
Energy: 0.3934440224930641
Energy: 0.4319906320105434
Energy: 0.5307843201243984
Energy: 0.39357672495054824
Energy: 0.39750335199529885
Energy: 0.563937993481733
Energy: 0.42574551051515175
Energy: 0.4130594579199894
Energy: 0.43586501769195307
Energy: 0.4230553162458033
Energy: 0.40006415703424814
Energy: 0.655516760157945
Energy: 0.4210731985315809
Energy: 0.4256160660452855
Energy: 0.42326040248340313
Energy: 0.42142928204915164
Energy: 0.42551515919393024
Energy: 0.42564453923597634
Energy: 0.4271967043841579
Energy: 0.4292180416199018
Energy: 0.4031495177096683
Energy: 0.42567944504112404
Energy: 0.42775191092081793
Energy: 0.42853394199901335
Energy: 0.45102416215844066
Energy: 0.4513550034896765
Energy: 0.44540342446009995
Energy: 0.4313893455262704
Energy: 0.45121254430480784
Energy: 0.43207754875012805
Energy: 0.4264795820530958
Energy: 0.414032029109244
Energy: 0.4331851128527849
Energy: 0.44193222278614624
Energy: 0.4186144616890588
Energy: 0.42258693316980966
Energy: 0.39565690437240786
Energy: 0.39659742220302324
Energy: 0.42431438870215255
Energy: 0.39575769099688696
Energy: 0.4218745815993288
Energy: 0.4569172920157474
Energy: 0.39611631978322653
Energy: 0.396101280595425
Energy: 0.45523482782842706
Energy: 0.3958875490386466
Energy: 0.39646783675916414
Energy: 0.4664715047022823
Energy: 0.46088217074283927
Energy: 0.4002993215642446
Energy: 0.4227587961503724
Energy: 0.48449697369380224
Energy: 0.42523707886936524

minimum gb energy = 0.38993179940605366 eV
minimum distance =  2.59101026679313 Angstroms
sigma value = 81


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

Energy: 0.8139788869834427
Energy: 0.4608626863040967
Energy: 0.398045221272202
Energy: 0.39795932198021716
Energy: 0.46097887925230485
Energy: 0.46246217206083956
Energy: 0.4637087617052251
Energy: 0.40231826979292945
Energy: 0.41075064252621474
Energy: 0.4020938094090234
Energy: 0.4038154159096548
Energy: 0.388723575076226
Energy: 0.4769472180002481
Energy: 0.4451192318994238
Energy: 0.44795733850120795
Energy: 0.4218863045799102
Energy: 0.43021794746210823
Energy: 0.4447654571821149
Energy: 0.46061133646670854
Energy: 0.4451408193128361
Energy: 0.48289021556045664
Energy: 0.46233843077582487
Energy: 0.44670556395687394
Energy: 0.40042430830673625
Energy: 0.4543736028636224
Energy: 0.451165362536184
Energy: 0.4642201329274362
Energy: 0.4633571148935976
Energy: 0.46336892936426183
Energy: 0.4554291127219004
Energy: 0.48189909662885916
Energy: 0.4521541039397368
Energy: 0.4508625657073942
Energy: 0.49956134014751347
Energy: 0.4570189182440193
Energy: 0.4580476161347249
Energy: 0.4662987758055068
Energy: 0.4539132687490874
Energy: 0.45169977422524726
Energy: 0.4574507761005849
Energy: 0.49007362655505643
Energy: 0.4605364776591551
Energy: 0.6684592666291277
Energy: 0.5050364731166003
Energy: 0.4792875110270538
Energy: 0.42156823259039733
Energy: 0.49199134104090303
Energy: 0.4215926071601513
Energy: 0.4440375622904294
Energy: 0.45886937959938057
Energy: 0.439667701640528
Energy: 0.44297000349145843
Energy: 0.4718418597561153
Energy: 0.4402564101310925
Energy: 0.461496034961573
Energy: 0.4062314454083389
Energy: 0.4063249371728759
Energy: 0.43930381341631963
Energy: 0.3790052831069594
Energy: 0.37887173872754554
Energy: 0.44035964696750785
Energy: 0.40384395825506075
Energy: 0.40461906009296855
Energy: 0.44043290101101895
Energy: 0.37885389201111613
Energy: 0.43167398781280886
Energy: 0.44528561688381424
Energy: 0.4823219534767667
Energy: 0.48328801508906183
Energy: 0.42785521186320324
Energy: 0.4827030826994617
Energy: 0.46927462576364026
Energy: 0.4369610034482097
Energy: 0.4874739070997093
Energy: 0.5126529178628146
Energy: 0.44493919042023145
Energy: 0.47600950237769146
Energy: 0.44778422792331685
Energy: 0.46906439469480765
Energy: 0.4464623455835452
Energy: 0.4475857846878882
Energy: 0.46413687836133144
Energy: 0.4522954910726106
Energy: 0.4529469649739705
Energy: 0.44717342730194815
Energy: 0.45962391081011805
Energy: 0.4465113520962659
Energy: 0.4464434443553789
Energy: 0.4624975837295619
Energy: 0.4463033996350901
Energy: 0.4600670848212882
Energy: 0.4489879098435811
Energy: 0.45020455736456444
Energy: 0.4462567849633023
Energy: 0.4478202273511787
Energy: 0.4461121581693164
Energy: 0.579577569974127
Energy: 0.421337271312592
Energy: 0.4213577566168233
Energy: 0.520029827942641
Energy: 0.4212096866810167
Energy: 0.4339611456592972
Energy: 0.5708558554760327
Energy: 0.4600375618171937
Energy: 0.45927623044296434
Energy: 0.53128111758214
Energy: 0.46037573326385034
Energy: 0.4600712578949233
Energy: 0.5311280497067891
Energy: 0.460496979103991
Energy: 0.37763799365782524
Energy: 0.3771816806632301
Energy: 0.4565397362464022
Energy: 0.37769691446767484
Energy: 0.5374326673228066
Energy: 0.45269198320975984
Energy: 0.37814828355461394
Energy: 0.37741673314533175
Energy: 0.42674389461429846
Energy: 0.3781650803106861
Energy: 0.4372609304200059
Energy: 0.4706495558392121
Energy: 0.47164510714999647
Energy: 0.49333392040446106
Energy: 0.47146430843433446
Energy: 0.4713583130913766
Energy: 0.48080143191491187
Energy: 0.44769115350235456
Energy: 0.4538595614145266
Energy: 0.519857624090635
Energy: 0.44770963311699946
Energy: 0.45272680318457975
Energy: 0.461571436447349
Energy: 0.47328039528987437
Energy: 0.46099275246947524
Energy: 0.4506744774105969
Energy: 0.4603596106365501
Energy: 0.4488553128322517
Energy: 0.45141098013754455
Energy: 0.448439617269021
Energy: 0.44823556811832094
Energy: 0.44853582570464806
Energy: 0.4484210506384664
Energy: 0.4501171156926174
Energy: 0.4710681354709734
Energy: 0.4532266266107008
Energy: 0.4541433383217152
Energy: 0.44751453052201356
Energy: 0.44695499002643285
Energy: 0.4477107351917703
Energy: 0.5208354213970436
Energy: 0.5107149994116829
Energy: 0.5085235147334807
Energy: 0.41987552018081026
Energy: 0.5251471897159449
Energy: 0.43777649495447973
Energy: 0.4422526836126116
Energy: 0.47959698047805743
Energy: 0.44728073820854075
Energy: 0.42682119029059984
Energy: 0.49782711847402866
Energy: 0.4413111709156484
Energy: 0.4533007127398844
Energy: 0.38171148988717224
Energy: 0.43122315140034495
Energy: 0.4391608031210923
Energy: 0.42231453913900674
Energy: 0.4312709683637755
Energy: 0.43576519369113437
Energy: 0.37918020961709775
Energy: 0.3792858563253502
Energy: 0.4210820291533536
Energy: 0.40673618076262114
Energy: 0.4061582881350361
Energy: 0.4424127044611005
Energy: 0.48010298396873613
Energy: 0.45055764930765346
Energy: 0.44192879452380124
Energy: 0.46413270306305826
Energy: 0.43200534264609586
Energy: 0.4324929229456843
Energy: 0.4817403697299581
Energy: 0.463303472676938
Energy: 0.44570900380434436
Energy: 0.47550167898535317
Energy: 0.4485702528859175
Energy: 0.47548207627482664
Energy: 0.47233763672992635
Energy: 0.4713711989508962
Energy: 0.46411614810048707
Energy: 0.45932008888653053
Energy: 0.46566591844723476
Energy: 0.4843952978975685
Energy: 0.4607016471894856
Energy: 0.46090332623436775
Energy: 0.4537780154157934
Energy: 0.45469102469108746
Energy: 0.45514062978533965
Energy: 0.5405213043529481
Energy: 0.452801162359326
Energy: 0.4639461445650555
Energy: 0.46541813800049353
Energy: 0.4634865769645684
Energy: 0.45231268152284565
Energy: 0.535192883207875
Energy: 0.4187396559146731
Energy: 0.4641542625962038
Energy: 0.4732562409532231
Energy: 0.41894409836199004
Energy: 0.4547257655120059
Energy: 0.5626183636732733
Energy: 0.42047876871120354
Energy: 0.4203954876271637
Energy: 0.42574157756189335
Energy: 0.4204355979668631
Energy: 0.5301824412195004
Energy: 0.5578731104472312
Energy: 0.4022906997705248
Energy: 0.4057790014504455
Energy: 0.4106536901314526
Energy: 0.4033554826463078
Energy: 0.38862517435904087
Energy: 0.4314875657716201
Energy: 0.4203367201428066
Energy: 0.39851941361101495
Energy: 0.3800634386957808
Energy: 0.4198359374897071
Energy: 0.45667008229316036

minimum gb energy = 0.3771816806632301 eV
minimum distance =  2.66604663808661 Angstroms
sigma value = 43


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

Energy: 0.7971137409445681
Energy: 0.5215157173714479
Energy: 0.4653345475905002
Energy: 0.4229412891327886
Energy: 0.5216631540482707
Energy: 0.42303913548593347
Energy: 0.3922174296057112
Energy: 0.4419091877981211
Energy: 0.44092089048287053
Energy: 0.392533260924447
Energy: 0.4200834424534887
Energy: 0.3961393530474672
Energy: 0.39177634534492206
Energy: 0.37906480090823935
Energy: 0.3790776370254079
Energy: 0.4085375918156484
Energy: 0.378695874224314
Energy: 0.39324317986345925
Energy: 0.3919755850373671
Energy: 0.3782230322416466
Energy: 0.3920431947459627
Energy: 0.3920693331641125
Energy: 0.38352504230293194
Energy: 0.3919334258376631
Energy: 0.4010524858918652
Energy: 0.45529585876041756
Energy: 0.4310047396685435
Energy: 0.4009862811536413
Energy: 0.45511102313268953
Energy: 0.4320845932741902
Energy: 0.39891137485059597
Energy: 0.43232091850810334
Energy: 0.4553854061657189
Energy: 0.4551037087594341
Energy: 0.40538617503551694
Energy: 0.4551762241972173
Energy: 0.4123317048925918
Energy: 0.39870623107818043
Energy: 0.3994675919302984
Energy: 0.42981142712244624
Energy: 0.39586625465977393
Energy: 0.39914470164894583
Energy: 0.49290913631829475
Energy: 0.39233504068660835
Energy: 0.39311858091373747
Energy: 0.3797851377173035
Energy: 0.3974411041469887
Energy: 0.4168193762132116
Energy: 0.41559899605741624
Energy: 0.3921119263281126
Energy: 0.3921659623245124
Energy: 0.4135463129236928
Energy: 0.39227042998489164
Energy: 0.39200391531954737
Energy: 0.5360463757094533
Energy: 0.39205719746378354
Energy: 0.39105625520143944
Energy: 0.4942037084568606
Energy: 0.3914822902557993
Energy: 0.4293757234518022
Energy: 0.4530173491701265
Energy: 0.4140536792744863
Energy: 0.3973067279618018
Energy: 0.38803619963958585
Energy: 0.4304503365122286
Energy: 0.4307147362336511
Energy: 0.49550090545679987
Energy: 0.39237461073138513
Energy: 0.3922312713542394
Energy: 0.41201015773600663
Energy: 0.39242912527233653
Energy: 0.3921505591793953
Energy: 0.5298656603580228
Energy: 0.39312593369794935
Energy: 0.4058209774807727
Energy: 0.37801251868934155
Energy: 0.42748830629279516
Energy: 0.4059305395363671
Energy: 0.3820072044378635
Energy: 0.40239665087486165
Energy: 0.41662732842116396
Energy: 0.389427739970858
Energy: 0.4251804161805447
Energy: 0.4192517382976556
Energy: 0.38636644353959587
Energy: 0.45417313032548484
Energy: 0.4554788839089799
Energy: 0.38551485545885256
Energy: 0.4542899003958415
Energy: 0.45550350760877567
Energy: 0.38176922075151615
Energy: 0.4213795642057052
Energy: 0.38510883320971495
Energy: 0.38298422400462184
Energy: 0.3947455800981694
Energy: 0.3853951145835602
Energy: 0.37941179268500685
Energy: 0.3797849583901253
Energy: 0.3794519546159843
Energy: 0.37963687961054166
Energy: 0.4250218788722766
Energy: 0.3793815036876598
Energy: 0.37947808120638965
Energy: 0.38326436912384765
Energy: 0.3794195009331431
Energy: 0.38018800943766135
Energy: 0.43080169988907957
Energy: 0.3794329456196954
Energy: 0.4824705738220088
Energy: 0.3797797837260893
Energy: 0.37959339033886036
Energy: 0.42839573442603585
Energy: 0.4355473286848097
Energy: 0.3916225413750193
Energy: 0.5527382491663965
Energy: 0.3796747378952211
Energy: 0.3794513635761486
Energy: 0.39081199082355406
Energy: 0.4230432365515766
Energy: 0.3918784568816085
Energy: 0.3794432515387902
Energy: 0.41480577185064027
Energy: 0.3795442260486138
Energy: 0.412790354859717
Energy: 0.43455989461282946
Energy: 0.4147419580548049
Energy: 0.4925610849445984
Energy: 0.40610667129407263
Energy: 0.42432453669145537
Energy: 0.47770350709929205
Energy: 0.377013078331451
Energy: 0.44909536678377304
Energy: 0.449649196557902
Energy: 0.37982033973131923
Energy: 0.4147165990808168
Energy: 0.44284879490871515
Energy: 0.3797399478094447
Energy: 0.4164648307461381
Energy: 0.4573370412505624
Energy: 0.37950812884803575
Energy: 0.37951633374668703
Energy: 0.3792411999227543
Energy: 0.4527626638230066
Energy: 0.379549410364891
Energy: 0.46359688193931087
Energy: 0.37918992500668613
Energy: 0.3792936715756605
Energy: 0.3827895819170017
Energy: 0.3794062889224395
Energy: 0.3790183881411523
Energy: 0.43602511221492685
Energy: 0.3855979776096525
Energy: 0.385838170315326
Energy: 0.42132686309749773
Energy: 0.38583615348830663
Energy: 0.42344713530300626
Energy: 0.4358871634705373
Energy: 0.42229308165589546
Energy: 0.4238783896219726
Energy: 0.40193117083254704
Energy: 0.42195276633840384
Energy: 0.4231627341351624
Energy: 0.4292147271000504
Energy: 0.44173639637094997
Energy: 0.4345785016060999
Energy: 0.4303074134396306
Energy: 0.3848620484119369
Energy: 0.3964823550769314
Energy: 0.4369349309152754
Energy: 0.39295163161872815
Energy: 0.39291749959795896
Energy: 0.4392564744700291
Energy: 0.3792225887040602
Energy: 0.3930127346207192
Energy: 0.3918894617267871
Energy: 0.4418520210348036
Energy: 0.4312724825559666
Energy: 0.3924003304672787
Energy: 0.44134087716892595
Energy: 0.39618059420216645
Energy: 0.6740282014045569
Energy: 0.39510181436716996
Energy: 0.4168860407082558
Energy: 0.40605702575310615
Energy: 0.44363849735849825
Energy: 0.4532805725832723

minimum gb energy = 0.377013078331451 eV
minimum distance =  2.59765652357904 Angstroms
sigma value = 57


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

Energy: 0.6041955840152343
Energy: 0.44488080062956753
Energy: 0.4334276944036493
Energy: 0.45707284022653677
Energy: 0.5030649359686179
Energy: 0.4332260348454005
Energy: 0.3835301106423285
Energy: 0.43917100670302117
Energy: 0.3819372279023237
Energy: 0.382678476550018
Energy: 0.3833276806566593
Energy: 0.45387217454402295
Energy: 0.4332823426214398
Energy: 0.3430004939833085
Energy: 0.34274411344525924
Energy: 0.44328336649453665
Energy: 0.3431378614910015
Energy: 0.40302615442156886
Energy: 0.38420095054473696
Energy: 0.34313931694166905
Energy: 0.3423758074275092
Energy: 0.3849463093270504
Energy: 0.34300058041826376
Energy: 0.40571346438798866
Energy: 0.38372611883104824
Energy: 0.4055832083338483
Energy: 0.36047628091133727
Energy: 0.37993851748286095
Energy: 0.35988395801850737
Energy: 0.3605873137556049
Energy: 0.34310022008378294
Energy: 0.3599971761337766
Energy: 0.3605335119151378
Energy: 0.45418086642849176
Energy: 0.40845393823165865
Energy: 0.45539177592307345
Energy: 0.3808650489007712
Energy: 0.3795351796041971
Energy: 0.3797763142538598
Energy: 0.3596906528632384
Energy: 0.3815183605630385
Energy: 0.3800397080813741
Energy: 0.37859043504137296
Energy: 0.3854639629292314
Energy: 0.38425490702475174
Energy: 0.45807940503413985
Energy: 0.38491731924111044
Energy: 0.4440002698099892
Energy: 0.38328379790636896
Energy: 0.38061596677380116
Energy: 0.38106211451781274
Energy: 0.3843732794369768
Energy: 0.4387809668401409
Energy: 0.38124988981838115
Energy: 0.4443752022700683
Energy: 0.38029936758129945
Energy: 0.37957752865408956
Energy: 0.43298678642527566
Energy: 0.38047944708124865
Energy: 0.38007961134720436
Energy: 0.41859523814934924
Energy: 0.3795411824984964
Energy: 0.4491905577650281
Energy: 0.38248291891708475
Energy: 0.37889860132783015
Energy: 0.3801335186243232
Energy: 0.3424618557716286
Energy: 0.4413764117233847
Energy: 0.38049698190256337
Energy: 0.34238517440379107
Energy: 0.3830972792604378
Energy: 0.41703137161626186
Energy: 0.3443795745756089
Energy: 0.44335744767478924
Energy: 0.41803680668768645
Energy: 0.41754358214586057
Energy: 0.4422831024225724
Energy: 0.41813890177562535
Energy: 0.3813165382757475
Energy: 0.40152787472089535
Energy: 0.36072321451788597
Energy: 0.3841414218939416
Energy: 0.38403454293269107
Energy: 0.4058079071183629
Energy: 0.38203561670220365
Energy: 0.45650339700615394
Energy: 0.45967925039260904
Energy: 0.38173643048397043
Energy: 0.4568084266019048
Energy: 0.45736462510521875
Energy: 0.38112092315575635
Energy: 0.3605383687111777
Energy: 0.4079808405770923
Energy: 0.3949776779010685
Energy: 0.40320774468534637
Energy: 0.40613004341565706
Energy: 0.38122991194658457
Energy: 0.4593454390424834
Energy: 0.45836645056473097
Energy: 0.3603641544300794
Energy: 0.4554846025245141
Energy: 0.45838003374163816
Energy: 0.38108374481381185
Energy: 0.4050032878128244
Energy: 0.36065120508770615
Energy: 0.4064858491090555
Energy: 0.3813172334028263
Energy: 0.36074900939351334
Energy: 0.38473611334338037
Energy: 0.3809513357003476
Energy: 0.3811860626873058
Energy: 0.3606826679313759
Energy: 0.3805693657945993
Energy: 0.3814356769391963
Energy: 0.38603780747138516
Energy: 0.441498521754587
Energy: 0.43911118667312343
Energy: 0.3603128248041532
Energy: 0.4417708058416474
Energy: 0.4392241736384336
Energy: 0.3833666615102726
Energy: 0.38230015155110286
Energy: 0.43970448986961735
Energy: 0.3831223757900413
Energy: 0.3831219236591427
Energy: 0.40718203244576284
Energy: 0.44742357022009305
Energy: 0.4431421614226135
Energy: 0.4433105888512179
Energy: 0.4318148894360576
Energy: 0.4433424706407158
Energy: 0.4435874981279065
Energy: 0.38150628874518483
Energy: 0.3827183951623639
Energy: 0.4418314504320557
Energy: 0.3839033713824149
Energy: 0.3837217936992098
Energy: 0.3815724888182708
Energy: 0.3446078153667446
Energy: 0.44332432820618306
Energy: 0.418169735966919
Energy: 0.4180143679128047
Energy: 0.45704078204982335
Energy: 0.4182239579542625

minimum gb energy = 0.3423758074275092 eV
minimum distance =  2.68489590902212 Angstroms
sigma value = 17


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

Energy: 0.7184349608471045
Energy: 0.41018687713294594
Energy: 0.47782767992051456
Energy: 0.4742713967423519
Energy: 0.598308535015036
Energy: 0.3814330283881133
Energy: 0.48943475369783074
Energy: 0.40453823871696076
Energy: 0.3737816513118194
Energy: 0.407415141945143
Energy: 0.4045019078714909
Energy: 0.37304703594422034
Energy: 0.4041729707989848
Energy: 0.3546968439048039
Energy: 0.35477981607643544
Energy: 0.40430977266166146
Energy: 0.35453597634479167
Energy: 0.3547796243157258
Energy: 0.407140650012753
Energy: 0.3541656199429967
Energy: 0.35442684998774643
Energy: 0.40436515178775495
Energy: 0.32518778457076597
Energy: 0.4159963490635232
Energy: 0.34625077145740335
Energy: 0.3414330908359773
Energy: 0.3411613693741286
Energy: 0.34673684593958604
Energy: 0.3413944456675549
Energy: 0.34109672274721986
Energy: 0.3563424004904644
Energy: 0.3411579701162419
Energy: 0.340807029262724
Energy: 0.42503344210526933
Energy: 0.34089256017227404
Energy: 0.3325539781551303
Energy: 0.38955239410799974
Energy: 0.34048666831668867
Energy: 0.34087236284522116
Energy: 0.38793972844438995
Energy: 0.34165542510478186
Energy: 0.37951708232487236
Energy: 0.3418431672377059
Energy: 0.381525104245173
Energy: 0.4329009065348291
Energy: 0.3827221393848312
Energy: 0.3833391558459933
Energy: 0.432895529659572
Energy: 0.34138389734385816
Energy: 0.34508310250955243
Energy: 0.3791793063268617
Energy: 0.3423488527327078
Energy: 0.38943476549717676
Energy: 0.34049043268314405
Energy: 0.340648797827031
Energy: 0.3842250692701002
Energy: 0.3839488645483587
Energy: 0.3407448953573242
Energy: 0.3933255647712216
Energy: 0.34305393627848135
Energy: 0.395567375772908
Energy: 0.3734202744697834
Energy: 0.3413425217645443
Energy: 0.34135479346183245
Energy: 0.3924226672788203
Energy: 0.3408984052092449
Energy: 0.42427375547474916
Energy: 0.40390545415270573
Energy: 0.4043045802466836
Energy: 0.3720743214860929
Energy: 0.40395598388527737
Energy: 0.4041659136722282
Energy: 0.4274591501757186
Energy: 0.40480272590396343
Energy: 0.4045603217291323
Energy: 0.3723620863873009
Energy: 0.4046050260679675
Energy: 0.40454442834974474
Energy: 0.4261376722362178
Energy: 0.4051654495107435
Energy: 0.4051245688110988
Energy: 0.34786352714433016
Energy: 0.4066769036447705
Energy: 0.3729708796837421
Energy: 0.40873254672968373
Energy: 0.4039195241729482
Energy: 0.4034683426902191
Energy: 0.4120632204634577
Energy: 0.40538595667174354
Energy: 0.4294519507790143
Energy: 0.5540912005961384
Energy: 0.4080442511048652
Energy: 0.3946449196608222
Energy: 0.40494403411165236
Energy: 0.4091100014435126
Energy: 0.3718329601634405
Energy: 0.4761595397051615
Energy: 0.40603855736044486
Energy: 0.45324550219058946
Energy: 0.4400993731419584
Energy: 0.4057873908614354
Energy: 0.45326619836908666

minimum gb energy = 0.32518778457076597 eV
minimum distance =  2.65704063271221 Angstroms
sigma value = 17


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

Energy: 0.7707054885195067
Energy: 0.5680560383978577
Energy: 0.39437564590042884
Energy: 0.45639111185475345
Energy: 0.5761325573661821
Energy: 0.45661987162675577
Energy: 0.4521077976108859
Energy: 0.4335994208709081
Energy: 0.38490188484015075
Energy: 0.39887104935489415
Energy: 0.39933257805417127
Energy: 0.39801675459168806
Energy: 0.41594559983356877
Energy: 0.3256959177216656
Energy: 0.3698103020112787
Energy: 0.41586710467977817
Energy: 0.32644091847217227
Energy: 0.369920966231096
Energy: 0.35555074296447264
Energy: 0.3703497536560961
Energy: 0.36977194308958805
Energy: 0.35586350679916434
Energy: 0.44761461019489307
Energy: 0.3696823523858567
Energy: 0.4137056121207492
Energy: 0.34911350893459303
Energy: 0.34945448220297615
Energy: 0.3559620198126007
Energy: 0.3504762525779718
Energy: 0.349963457545671
Energy: 0.43295409313416333
Energy: 0.34808270452378903
Energy: 0.32580982909939227
Energy: 0.32550711531582927
Energy: 0.3482138232373442
Energy: 0.32683909726455374
Energy: 0.3663173450344757
Energy: 0.3527350949279967
Energy: 0.3480769302553043
Energy: 0.36526894194333653
Energy: 0.350407351088238
Energy: 0.3625514511422838
Energy: 0.319622481474714
Energy: 0.3126437835295383
Energy: 0.31996972168380433
Energy: 0.3743140740074585
Energy: 0.311983316837428
Energy: 0.32406420533583846
Energy: 0.3215556330156529
Energy: 0.3272109479596721
Energy: 0.31911030686830033
Energy: 0.32059793845808304
Energy: 0.3974181523476061
Energy: 0.3193634516519774
Energy: 0.31911518514346626
Energy: 0.32776328165293045
Energy: 0.32809385252806733
Energy: 0.3191510821629061
Energy: 0.36353467141406703
Energy: 0.32223748797453633
Energy: 0.3540356929782944
Energy: 0.3191717243386078
Energy: 0.31917153528705816
Energy: 0.36691541806703976
Energy: 0.31977908809893346
Energy: 0.3205045797496494
Energy: 0.4109388656480529
Energy: 0.3198080151806163
Energy: 0.3195711494546962
Energy: 0.4111363174768955
Energy: 0.3225454639446836
Energy: 0.31933457636845486
Energy: 0.4125852871975327
Energy: 0.32138018760985676
Energy: 0.32188732882543214
Energy: 0.35778078242138917
Energy: 0.3204170384702338
Energy: 0.3201998813284103
Energy: 0.34875336886508523
Energy: 0.3279070431596537
Energy: 0.3404354553563674
Energy: 0.34948083395157936
Energy: 0.367162047852389
Energy: 0.3480773302867355
Energy: 0.34854458809128697
Energy: 0.4197908771366659
Energy: 0.4235911020098448
Energy: 0.34825976469443914
Energy: 0.32771913612366094
Energy: 0.3485515462329643
Energy: 0.42826781531818786
Energy: 0.35582799064229614
Energy: 0.3710428394107948
Energy: 0.3499075609014635
Energy: 0.4283305421774068
Energy: 0.34930523770370775
Energy: 0.43712804802908845
Energy: 0.41558316596148054
Energy: 0.4152795418815886
Energy: 0.43814370036676387
Energy: 0.4156465418737679
Energy: 0.34817590727172604
Energy: 0.4371322629021728
Energy: 0.41541339000814387
Energy: 0.415230563454085
Energy: 0.41724842837095605
Energy: 0.4221063069689487
Energy: 0.3483176614214851
Energy: 0.4095609818291882
Energy: 0.4162656074616005
Energy: 0.38335887343842806
Energy: 0.35588575060305117
Energy: 0.41339839022599745
Energy: 0.384896829066114
Energy: 0.523472763286272
Energy: 0.3484590530823021
Energy: 0.34817312270242995
Energy: 0.42797521077847833
Energy: 0.34818846757793204
Energy: 0.42472420806929817
Energy: 0.5333890889873323
Energy: 0.4154952534794866
Energy: 0.4002497192609751
Energy: 0.41615534591094194
Energy: 0.4192235528340201
Energy: 0.3991963098238215
Energy: 0.44490417829211276
Energy: 0.4171220213068945
Energy: 0.4607989230932063
Energy: 0.39329551726095896
Energy: 0.4205277909881751
Energy: 0.3697515166135057
Energy: 0.44650737044857947
Energy: 0.41580744047172624
Energy: 0.4151343984959949
Energy: 0.44771786239155575
Energy: 0.4193480989336862
Energy: 0.43177767012448315
Energy: 0.5264625702863538
Energy: 0.36386439685590954
Energy: 0.38689393365247254
Energy: 0.4170266004404634
Energy: 0.4494568738670974
Energy: 0.415216511875588
Energy: 0.4150163621939938
Energy: 0.32564932830800775
Energy: 0.3707531452430406
Energy: 0.41523895160907837
Energy: 0.3253818725685175
Energy: 0.370666978713532
Energy: 0.3562868738423134
Energy: 0.34988583267707646
Energy: 0.3506588124661352
Energy: 0.356137655253522
Energy: 0.34903398702762145
Energy: 0.3840658838784244
Energy: 0.43139132541887426
Energy: 0.3492841932132492
Energy: 0.348848036074838
Energy: 0.325953179246827
Energy: 0.37184314821001235
Energy: 0.32626681217039727
Energy: 0.4294595890071185
Energy: 0.3485624459626108
Energy: 0.34857299820396925
Energy: 0.39970266699240237
Energy: 0.3501440763636556
Energy: 0.34836236320608727
Energy: 0.3737058323496738
Energy: 0.34247023173863655
Energy: 0.34917988612379747
Energy: 0.3208984695989153
Energy: 0.36887906442726026
Energy: 0.3207948587907763
Energy: 0.3197458256480362
Energy: 0.3124099605849874
Energy: 0.3192492459294606
Energy: 0.31952415291747593
Energy: 0.3119978191496638
Energy: 0.31897371191622365
Energy: 0.32199752185690966
Energy: 0.3301827407924373
Energy: 0.32119545314582515
Energy: 0.3225371336141351
Energy: 0.342398604333205
Energy: 0.3202926414801969
Energy: 0.3197793885267552
Energy: 0.32874441145217753
Energy: 0.32739778167089656
Energy: 0.32113849015566487
Energy: 0.3194145643159325
Energy: 0.3566541017475138
Energy: 0.39586961115977876
Energy: 0.32251376005964755
Energy: 0.31970725642327325
Energy: 0.3969112061900095
Energy: 0.3204453818105461
Energy: 0.3194682440274864
Energy: 0.3807776098965229
Energy: 0.32040276469888684
Energy: 0.42000322248326233
Energy: 0.3403467612408786
Energy: 0.31899557730140043
Energy: 0.421594547303267
Energy: 0.35114730705413105
Energy: 0.3202596492635798
Energy: 0.3668783516777533
Energy: 0.3520430617096907
Energy: 0.32924260188977
Energy: 0.37594417679089703
Energy: 0.34882467351760893
Energy: 0.31907635027624276
Energy: 0.34835824959892625
Energy: 0.34858920132768
Energy: 0.3200762084434756
Energy: 0.3484932092431034
Energy: 0.34824346256590094
Energy: 0.3710981661973014
Energy: 0.34826176294976835
Energy: 0.35331948381360645
Energy: 0.424645979163606
Energy: 0.3490684111045929
Energy: 0.4397010318500936
Energy: 0.41872454188810565
Energy: 0.38626643172168923
Energy: 0.42129800315152444
Energy: 0.41829087387947544
Energy: 0.4091132981219096
Energy: 0.45997278370609757
Energy: 0.4260304122172392
Energy: 0.35061634232279537
Energy: 0.3481889115478233
Energy: 0.43731335800964477
Energy: 0.3492786904703657
Energy: 0.4099447296565171
Energy: 0.41589116162557527
Energy: 0.4153268634018867
Energy: 0.35484264172898555
Energy: 0.4167516315368457
Energy: 0.38361916735143853
Energy: 0.4414373361855448
Energy: 0.3478090780068831
Energy: 0.4284609487625385
Energy: 0.41527032588894414
Energy: 0.3491586770349778
Energy: 0.42493827790450095
Energy: 0.526748543305292
Energy: 0.3879910317522638
Energy: 0.3865247379367801
Energy: 0.4186604112402934
Energy: 0.420083347698613
Energy: 0.41501521793218216
Energy: 0.4473563634144437
Energy: 0.41580632147593305
Energy: 0.4154691810135832
Energy: 0.44787516322193355
Energy: 0.41892502589131336
Energy: 0.4313472505481664

minimum gb energy = 0.311983316837428 eV
minimum distance =  2.6392913506917 Angstroms
sigma value = 57


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

Energy: 0.3941307829852881
Energy: 0.5339157750714888
Energy: 0.3945343438200217
Energy: 0.41297910709519964
Energy: 0.4973885661694122
Energy: 0.4765940715927907
Energy: 0.4471834764481541
Energy: 0.3539623670935593
Energy: 0.38668965489390067
Energy: 0.40066480600943577
Energy: 0.4032790876327856
Energy: 0.39552750049643487
Energy: 0.5053019608262364
Energy: 0.3306210126196844
Energy: 0.3302811132973629
Energy: 0.4223026650302615
Energy: 0.35054337329001145
Energy: 0.3743016215942385
Energy: 0.36056946730301065
Energy: 0.3307097545282977
Energy: 0.37428487946488176
Energy: 0.3562281852259841
Energy: 0.42724536665533225
Energy: 0.3743368143709837
Energy: 0.39722851363771106
Energy: 0.35786720977119535
Energy: 0.35925942387610593
Energy: 0.3982052691996918
Energy: 0.3553877668871743
Energy: 0.3536324747830974
Energy: 0.3603297414519395
Energy: 0.3527006504552488
Energy: 0.3321905717039939
Energy: 0.30916159314471764
Energy: 0.3526684036554496
Energy: 0.33110412984335424
Energy: 0.4156114453082918
Energy: 0.35649192142379826
Energy: 0.355443039609598
Energy: 0.36030149550183155
Energy: 0.35486175943815496
Energy: 0.3587386288804211
Energy: 0.31885631666394687
Energy: 0.30754204994825957
Energy: 0.30817197657262935
Energy: 0.32858087327825314
Energy: 0.3082507818305411
Energy: 0.31950433667859446
Energy: 0.3218051688224246
Energy: 0.3210332519666326
Energy: 0.3194015059326972
Energy: 0.322695351630265
Energy: 0.36797781825311054
Energy: 0.3193821789899669
Energy: 0.3439367760702439
Energy: 0.31052589762076566
Energy: 0.3891739166453122
Energy: 0.3443592917401756
Energy: 0.3100368741538374
Energy: 0.3308791747958682
Energy: 0.37422480670680647
Energy: 0.304041561033063
Energy: 0.30407052901446946
Energy: 0.3429147470287512
Energy: 0.30428765843566963
Energy: 0.3042867792232755
Energy: 0.3678844233311208
Energy: 0.3091353202864247
Energy: 0.3124753305973314
Energy: 0.3684258602531382
Energy: 0.30913964971185126
Energy: 0.3043297948471261
Energy: 0.30464323888571476
Energy: 0.32905904352668075
Energy: 0.3051356010845335
Energy: 0.3042788712054254
Energy: 0.3282020374772948
Energy: 0.32761936470709685
Energy: 0.3044062788000226
Energy: 0.3619208758353137
Energy: 0.30413998106953405
Energy: 0.30552800968713234
Energy: 0.3670152413650986
Energy: 0.3043235927628776
Energy: 0.3045546632065538
Energy: 0.3585643208647437
Energy: 0.3934380699904711
Energy: 0.3042917058370455
Energy: 0.35906188844740783
Energy: 0.3335443289842098
Energy: 0.38736736054869486
Energy: 0.31916710730637027
Energy: 0.31969007692611584
Energy: 0.3655101186549771
Energy: 0.32495313600409986
Energy: 0.3806198870433732
Energy: 0.3655274699799357
Energy: 0.3263270857375146
Energy: 0.31929150391927363
Energy: 0.35614983688250906
Energy: 0.3244048322405126
Energy: 0.3192390286522807
Energy: 0.3828898585542239
Energy: 0.32700098410546297
Energy: 0.3197791597685155
Energy: 0.3834793038854209
Energy: 0.3252527440339003
Energy: 0.3204385361442482
Energy: 0.3530762344118129
Energy: 0.32916386143272
Energy: 0.34349726596432323
Energy: 0.35390133948777125
Energy: 0.41070210871895513
Energy: 0.35276134352299016
Energy: 0.3529099191633348
Energy: 0.34993519354211183
Energy: 0.3390693388479801
Energy: 0.3522105119009636
Energy: 0.31946477206432017
Energy: 0.3536123194475436
Energy: 0.46602219998519573
Energy: 0.3559903200967896
Energy: 0.4055398700050323
Energy: 0.3540445857409655
Energy: 0.4150250658930542
Energy: 0.35428170057965513
Energy: 0.39040818994563303
Energy: 0.41614610255197915
Energy: 0.35260822894160665
Energy: 0.3197890030861578
Energy: 0.4233139915269785
Energy: 0.352751944459653
Energy: 0.4129823730883338
Energy: 0.42097879639930336
Energy: 0.41560313451338854
Energy: 0.41383091248186765
Energy: 0.41895396154177994
Energy: 0.41958958466304336
Energy: 0.46596446034116423
Energy: 0.35280446555214845
Energy: 0.3884305114878099
Energy: 0.3612375437085373
Energy: 0.4125922648016306
Energy: 0.35400015996023093
Energy: 0.5025212283423827
Energy: 0.35303750535611506
Energy: 0.3536440258510295
Energy: 0.4192419142355696
Energy: 0.35300004937440205
Energy: 0.4202054572673513
Energy: 0.49687202996273583
Energy: 0.4197967308689542
Energy: 0.3991004936052459
Energy: 0.39853450228475956
Energy: 0.41781779626941606
Energy: 0.39347728677258925
Energy: 0.4091120999647839
Energy: 0.4185494034158197
Energy: 0.3749411302668457
Energy: 0.3310728699837719
Energy: 0.417895425163075
Energy: 0.3746973447060262

minimum gb energy = 0.304041561033063 eV
minimum distance =  2.63677952943962 Angstroms
sigma value = 43


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

Energy: 0.35978011776789076
Energy: 0.48703266299579834
Energy: 0.3763355280168128
Energy: 0.36815850472593015
Energy: 0.46945452340196364
Energy: 0.38825520717974477
Energy: 0.39494836991316523
Energy: 0.3376125153886964
Energy: 0.3481095402711091
Energy: 0.37811411159243324
Energy: 0.338359022412378
Energy: 0.37075782680267705
Energy: 0.4525829450402941
Energy: 0.2926462357946346
Energy: 0.31573432619580283
Energy: 0.3774738860427042
Energy: 0.3218285437153335
Energy: 0.31566120173568174
Energy: 0.37830747548019844
Energy: 0.3154349421471207
Energy: 0.31564221891571753
Energy: 0.33663690933975704
Energy: 0.3379831376080393
Energy: 0.3529059106361759
Energy: 0.3549073992522678
Energy: 0.33442995494317274
Energy: 0.3355234374947257
Energy: 0.35495993978734375
Energy: 0.3365625374274522
Energy: 0.34155395234610114
Energy: 0.35099256317376437
Energy: 0.3456970173172092
Energy: 0.3164319539352123
Energy: 0.3238040040807745
Energy: 0.3387944424290613
Energy: 0.2928755001147207
Energy: 0.3681667811918911
Energy: 0.3455089377477314
Energy: 0.33409957493028364
Energy: 0.34465448882474164
Energy: 0.34616831476870935
Energy: 0.35520571093639025
Energy: 0.30450230474106443
Energy: 0.27813484460367005
Energy: 0.29247011317059046
Energy: 0.30471184865341205
Energy: 0.27795043269063235
Energy: 0.2928304952111945
Energy: 0.30617702807670294
Energy: 0.2924691312434648
Energy: 0.3040602958078128
Energy: 0.30709511700456676
Energy: 0.3400742654071372
Energy: 0.3039381388829538
Energy: 0.31378837704540613
Energy: 0.28608480213667575
Energy: 0.28702189260681854
Energy: 0.3213616210137167
Energy: 0.2879169036054113
Energy: 0.30456966351416337
Energy: 0.33034116064265695
Energy: 0.2851778629356034
Energy: 0.2853085751596716
Energy: 0.2717437024346989
Energy: 0.2849710421593139
Energy: 0.27841442941761746
Energy: 0.33807441956893974
Energy: 0.2852352479917818
Energy: 0.2853472385048798
Energy: 0.3273217910084548
Energy: 0.289140821845408
Energy: 0.3129425991638349
Energy: 0.27423198101159246
Energy: 0.32853055297017586
Energy: 0.33314144156490894
Energy: 0.27435899700770366
Energy: 0.32959343487960596
Energy: 0.3020239729357097
Energy: 0.2745220863545113
Energy: 0.28836030110811034
Energy: 0.2737662510022391
Energy: 0.27550471352735245
Energy: 0.3205137422245251
Energy: 0.27382325363922205
Energy: 0.29899139400178837
Energy: 0.26902720753355974
Energy: 0.26908282990553245
Energy: 0.2747548748146047
Energy: 0.26916008158264537
Energy: 0.3340630811296226
Energy: 0.33201733408765133
Energy: 0.268437273983285
Energy: 0.26850253753523695
Energy: 0.3240482743177177
Energy: 0.2684132940811304
Energy: 0.2697526694746983
Energy: 0.32776841508204246
Energy: 0.26853293054365207
Energy: 0.2685055748432319
Energy: 0.31826589410113726
Energy: 0.26868893732365284
Energy: 0.2696098241801473
Energy: 0.268690712589034
Energy: 0.2705373750380602
Energy: 0.280810496837046
Energy: 0.2687667707216625
Energy: 0.27021663812887986
Energy: 0.27066774179053915
Energy: 0.26857648020682073
Energy: 0.27007966600767774
Energy: 0.26858107553967203
Energy: 0.2696538023976195
Energy: 0.3166605255589472
Energy: 0.26867442699132665
Energy: 0.2687868663253856
Energy: 0.2913682810582914
Energy: 0.3270059757075099
Energy: 0.2686664220251258
Energy: 0.27432190984648375
Energy: 0.3290109445591555
Energy: 0.3262704745876143
Energy: 0.2738746643425618
Energy: 0.27391215440526
Energy: 0.32153819950183377
Energy: 0.2740567671941855
Energy: 0.28841518709553754
Energy: 0.33157231361429607
Energy: 0.27379592923493323
Energy: 0.27381116970574004
Energy: 0.3332047551205674
Energy: 0.27382455207889955
Energy: 0.27449412803004725
Energy: 0.3187597470975887
Energy: 0.2757301113271325
Energy: 0.27543421027583537
Energy: 0.2856743179963531
Energy: 0.27583943191073657
Energy: 0.2742062029476053
Energy: 0.2857654659023618
Energy: 0.2750995036846075
Energy: 0.2850992545902924
Energy: 0.28659827278879507
Energy: 0.329852748867493
Energy: 0.28516469244848963
Energy: 0.28552147540046335
Energy: 0.3322238944720321
Energy: 0.31318186997240954
Energy: 0.3083610220142232
Energy: 0.33353803260248427
Energy: 0.3154969426066179
Energy: 0.31234152225356826
Energy: 0.3041537978868263
Energy: 0.3043916117667627
Energy: 0.33860794684007056
Energy: 0.30792410382909985
Energy: 0.35522205141623153
Energy: 0.3501298563811825
Energy: 0.30421262165952
Energy: 0.3090182014627431
Energy: 0.27599490510455565
Energy: 0.304070901746593
Energy: 0.2852894380117853
Energy: 0.33362024433770543
Energy: 0.3042169161437648
Energy: 0.3042501380270609
Energy: 0.34334374499966686
Energy: 0.30663044318303045
Energy: 0.3243489495991337
Energy: 0.3369663492827987
Energy: 0.3038046118429759
Energy: 0.3348971469444925
Energy: 0.3376391792381559
Energy: 0.34757178373099484
Energy: 0.33444687606338863
Energy: 0.4206606869305365
Energy: 0.2853039910445971
Energy: 0.31522611717780014
Energy: 0.33474945244915827
Energy: 0.2851446871956898
Energy: 0.30424029801610186
Energy: 0.4011502295510682
Energy: 0.34606080943089956
Energy: 0.33762821939557247
Energy: 0.3352023461853879
Energy: 0.345369938531871
Energy: 0.3496928164111575
Energy: 0.35422834043919266
Energy: 0.38573316232125027
Energy: 0.33441832768767626
Energy: 0.3279961033317273
Energy: 0.38448754486765047
Energy: 0.3040443855823159
Energy: 0.36757313280827675
Energy: 0.37254242301348
Energy: 0.3669993859026137
Energy: 0.36765349769394307
Energy: 0.38606600260634055
Energy: 0.3807797551599388
Energy: 0.4312764717759122
Energy: 0.3382620839376896
Energy: 0.33838460545872595
Energy: 0.33704464267961803
Energy: 0.3287378110720545
Energy: 0.38078887120535093
Energy: 0.4522757968329252
Energy: 0.30441815363326474
Energy: 0.3388604120106239
Energy: 0.3776132506828091
Energy: 0.3231530946365737
Energy: 0.33845993871563096
Energy: 0.42017332709750627
Energy: 0.37254956969062575
Energy: 0.3670075840711709
Energy: 0.37744057623205435
Energy: 0.3859361794688513
Energy: 0.3699999744115956

minimum gb energy = 0.2684132940811304 eV
minimum distance =  2.64159738870326 Angstroms
sigma value = 81


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

Energy: 0.06911856627808574
Energy: 0.13027819395123452
Energy: 0.06961694676812084
Energy: 0.07031171125212025
Energy: 0.10351739694820003
Energy: 0.06949118779566381
Energy: 0.09579934347965198
Energy: 0.07233614941786681
Energy: 0.0724688724517752
Energy: 0.09604400632458393
Energy: 0.07326867159612264
Energy: 0.07278780792237766
Energy: 0.07253675632240113
Energy: 0.06927921065507482
Energy: 0.10061014907422078
Energy: 0.11643825023445126
Energy: 0.06936609304110225
Energy: 0.1002671792113789
Energy: 0.07417402358103703
Energy: 0.06935264813914949
Energy: 0.07058728229385978
Energy: 0.07374364085540742
Energy: 0.06955447073716481
Energy: 0.0904133296175954
Energy: 0.10027897621515977
Energy: 0.09472927848194225
Energy: 0.0954016555718988
Energy: 0.07002130281892112
Energy: 0.07245532494547477
Energy: 0.09475644227162139
Energy: 0.06951301025794367
Energy: 0.07277465514291695
Energy: 0.06976618246327748
Energy: 0.07084314219717312
Energy: 0.07280429708615754
Energy: 0.0693567715918005
Energy: 0.09604571199302607
Energy: 0.07252667016557905
Energy: 0.07266494069506735
Energy: 0.09584572032816716
Energy: 0.0730612311835746
Energy: 0.07273262295458663
Energy: 0.10377585292661297
Energy: 0.06939038345395696
Energy: 0.06940939276860925
Energy: 0.09512613562864887
Energy: 0.06939496872094374
Energy: 0.0998931223126515
Energy: 0.07362197408047312
Energy: 0.06923327724676767
Energy: 0.07087178002602622
Energy: 0.07415115990008925
Energy: 0.06936291795768679
Energy: 0.09096526837221527
Energy: 0.06953670514231712
Energy: 0.11554799766183513
Energy: 0.11539844564417687
Energy: 0.07041098077382463
Energy: 0.11509300127702438
Energy: 0.11494210279295587

minimum gb energy = 0.06911856627808574 eV
minimum distance =  2.73716918508865 Angstroms
sigma value = 3


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

Energy: 0.3603702050138305
Energy: 0.4262085019637308
Energy: 0.36291585272410454
Energy: 0.3316624272441479
Energy: 0.44587115844001823
Energy: 0.33319806027673093
Energy: 0.4194668779892928
Energy: 0.3728203703386204
Energy: 0.3745778335680295
Energy: 0.37468158779374433
Energy: 0.3757766414705057
Energy: 0.3845952978615376
Energy: 0.396984366690077
Energy: 0.3460165545353207
Energy: 0.3461460337758269
Energy: 0.37297536710635787
Energy: 0.3460860505812463
Energy: 0.39958049142281105
Energy: 0.3412340336532731
Energy: 0.34609617835974726
Energy: 0.34608747768454984
Energy: 0.34138561503664044
Energy: 0.3585631650153193
Energy: 0.38449366584500366
Energy: 0.3064093748586271
Energy: 0.38826274941229255
Energy: 0.3874164954112101
Energy: 0.3064439330702629
Energy: 0.3959734453036298
Energy: 0.38741839318267285
Energy: 0.2819896359318704
Energy: 0.3719743226221706
Energy: 0.32924057306253035
Energy: 0.3205237521820879
Energy: 0.34135566522219546
Energy: 0.3345997681749295
Energy: 0.34060070088894034
Energy: 0.30789479697964606
Energy: 0.3084125053010084
Energy: 0.3536532416584902
Energy: 0.3080965297134874
Energy: 0.3547117556068286
Energy: 0.3396760906603464
Energy: 0.31903620816131134
Energy: 0.3190443037988742
Energy: 0.3397850792985983
Energy: 0.30231179992242496
Energy: 0.33156789759926486
Energy: 0.3821921417371486
Energy: 0.33082663983907307
Energy: 0.3752458947154501
Energy: 0.38051471277397025
Energy: 0.2828375131942625
Energy: 0.3694451623303571
Energy: 0.28328623112039103
Energy: 0.3080200875894471
Energy: 0.3079526526098082
Energy: 0.28333589057766845
Energy: 0.3109040524414651
Energy: 0.35843986078757634
Energy: 0.2667473232697645
Energy: 0.3086229305061611
Energy: 0.2833583828150246
Energy: 0.3034359555716457
Energy: 0.3439232598724507
Energy: 0.3023534932879038
Energy: 0.2832167731610247
Energy: 0.341095268224432
Energy: 0.2837850196467347
Energy: 0.28326339272932394
Energy: 0.3428546589368796
Energy: 0.284105607765503
Energy: 0.28344799980628077
Energy: 0.29489636681341314
Energy: 0.30304753657769257
Energy: 0.2835050823309695
Energy: 0.2950101535929266
Energy: 0.28394098588354344
Energy: 0.3516987564874855
Energy: 0.2675196911612463
Energy: 0.26760728430654496
Energy: 0.3196232564956096
Energy: 0.26717176800628284
Energy: 0.3179197312193117
Energy: 0.2591725166161676
Energy: 0.2670864570272642
Energy: 0.2670372140890484
Energy: 0.2596337489266674
Energy: 0.2691299831470601
Energy: 0.2670337273590455
Energy: 0.25935664372839035
Energy: 0.3022775052918286
Energy: 0.3030937696773133
Energy: 0.2969960769764304
Energy: 0.3130639221810652
Energy: 0.2954268541954106
Energy: 0.2628168333974867
Energy: 0.3020814021640853
Energy: 0.25964096957449695
Energy: 0.2592596762340204
Energy: 0.30208659454965503
Energy: 0.2592751183091454
Energy: 0.2590917012564089
Energy: 0.2948704239391807
Energy: 0.25962042048303224
Energy: 0.25919913687137086
Energy: 0.2973145954470398
Energy: 0.2595698697836481
Energy: 0.260021706119057
Energy: 0.25966110148670685
Energy: 0.25953748062236737
Energy: 0.29647532855581366
Energy: 0.25936723158573133
Energy: 0.27990705127662985
Energy: 0.3417746610415335
Energy: 0.25924645377978217
Energy: 0.2592331873047569
Energy: 0.3420835281197908
Energy: 0.26184663954863313
Energy: 0.25910881144540504
Energy: 0.2675866521678501
Energy: 0.2951065686463204
Energy: 0.29545447036895134
Energy: 0.3152864562533017
Energy: 0.30587951158530197
Energy: 0.28681883171833067
Energy: 0.2693556250153382
Energy: 0.29517253761241324
Energy: 0.29655446800092666
Energy: 0.26985284906708173
Energy: 0.295142864616068
Energy: 0.2670981029388365
Energy: 0.2669874147064991
Energy: 0.34286617653747686
Energy: 0.34040051597845333
Energy: 0.26709517060528304
Energy: 0.3190395818681291
Energy: 0.26762856714417527
Energy: 0.260807563884019
Energy: 0.2839924777600532
Energy: 0.28417698350270465
Energy: 0.29851114069307977
Energy: 0.2838263435834712
Energy: 0.2870418654847378
Energy: 0.2686123903108927
Energy: 0.2832671343232074
Energy: 0.2832412970553336
Energy: 0.2677852707674454
Energy: 0.2833603920857077
Energy: 0.28385162522132584
Energy: 0.30671789397059435
Energy: 0.30886409468591147
Energy: 0.3088145728851188
Energy: 0.3258544307081439
Energy: 0.29644210384271646
Energy: 0.2838875110302182
Energy: 0.3102099678798099
Energy: 0.3088604894310494
Energy: 0.30871310633295224
Energy: 0.3109207625672741
Energy: 0.3198680345376263
Energy: 0.3360128481046594
Energy: 0.29282135248369195
Energy: 0.3697327711656082
Energy: 0.3804286433384064
Energy: 0.2928115928850714
Energy: 0.37004279793717976
Energy: 0.38277904104204835
Energy: 0.27235201893821637
Energy: 0.34006031349347077
Energy: 0.34920354650817165
Energy: 0.31009179783400154
Energy: 0.33979600004843213
Energy: 0.31972147533477274
Energy: 0.3080343660061888
Energy: 0.3539681022771145
Energy: 0.3537525373022528
Energy: 0.3080131555306904
Energy: 0.35474924967696453
Energy: 0.35527813888437243
Energy: 0.30803296500519484
Energy: 0.329490395923689
Energy: 0.32954682156409476
Energy: 0.34290212539829895
Energy: 0.3077272713479837
Energy: 0.3452448434077788
Energy: 0.3938347249188559
Energy: 0.36696116382385713
Energy: 0.38219808391719484
Energy: 0.37589997936329866
Energy: 0.29260295512150414
Energy: 0.3871309529192421
Energy: 0.31986727375697127
Energy: 0.3387736927427625
Energy: 0.33860247137017235
Energy: 0.3199308799733448
Energy: 0.34177083545287074
Energy: 0.35533855700111633

minimum gb energy = 0.2590917012564089 eV
minimum distance =  2.66175146316299 Angstroms
sigma value = 67


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

Energy: 0.3728218054007811
Energy: 0.49628838666908254
Energy: 0.41515925673730164
Energy: 0.36449589358704365
Energy: 0.50012282961044
Energy: 0.4148764960214296
Energy: 0.4827307101838018
Energy: 0.42896242345749475
Energy: 0.45094098442967523
Energy: 0.430122076958197
Energy: 0.427147000133779
Energy: 0.38587380743315697
Energy: 0.4388148617158105
Energy: 0.3883534356290541
Energy: 0.4328702111296299
Energy: 0.43139762966304324
Energy: 0.38588558861137356
Energy: 0.43761794635389134
Energy: 0.3781476215378026
Energy: 0.4344003213121431
Energy: 0.4332210726919606
Energy: 0.3792200499792948
Energy: 0.39952024944656
Energy: 0.43816380023951434
Energy: 0.37525812747696113
Energy: 0.4486210686669453
Energy: 0.45133726088656456
Energy: 0.37554220120170223
Energy: 0.4264619233666893
Energy: 0.41626895728332114
Energy: 0.30987611264944265
Energy: 0.4156565065367929
Energy: 0.3731826638316708
Energy: 0.3830127420446892
Energy: 0.4654797325690433
Energy: 0.38208915153966616
Energy: 0.37475861623818846
Energy: 0.3964656561115493
Energy: 0.3654410281312405
Energy: 0.3754327218701095
Energy: 0.3942891937660847
Energy: 0.3651783994845222
Energy: 0.383165758176644
Energy: 0.36263841469788394
Energy: 0.3525506017906517
Energy: 0.3839215439050233
Energy: 0.36010917450111773
Energy: 0.3606359613421709
Energy: 0.4090462007820996
Energy: 0.3759956340679512
Energy: 0.3916186828958202
Energy: 0.41763842740358287
Energy: 0.3318272809533588
Energy: 0.3443577275779149
Energy: 0.3104790604028917
Energy: 0.33555710952359025
Energy: 0.33234309237655363
Energy: 0.3104426892563263
Energy: 0.33457811127401677
Energy: 0.33204407369724115
Energy: 0.310113283001676
Energy: 0.3973158855325914
Energy: 0.34260927033448196
Energy: 0.3595161890365011
Energy: 0.3341140166537232
Energy: 0.35798948969033845
Energy: 0.3143392226310343
Energy: 0.3539082700277393
Energy: 0.30968943812313054
Energy: 0.3150073663853505
Energy: 0.3774456223988673
Energy: 0.3100378063092723
Energy: 0.31486615786150524
Energy: 0.36050924430327613
Energy: 0.31026978856388476
Energy: 0.31554114933345784
Energy: 0.3580758971572028
Energy: 0.3104460746700943
Energy: 0.31292198526916215
Energy: 0.3498987139460873
Energy: 0.3682278863742647
Energy: 0.3577983059671611
Energy: 0.31039455393322046
Energy: 0.3688403913491815
Energy: 0.3626974409744055
Energy: 0.313388913011436
Energy: 0.31065292812029094
Energy: 0.3359683557705575
Energy: 0.3128103969536035
Energy: 0.3102966411854673
Energy: 0.33468186188203636
Energy: 0.37905902227443006
Energy: 0.35723412347211
Energy: 0.37868212087126685
Energy: 0.35146065687027095
Energy: 0.32771934945995346
Energy: 0.3366556133672182
Energy: 0.35675412528086475
Energy: 0.3460331703523745
Energy: 0.33735096432760175
Energy: 0.3548657044476244
Energy: 0.3289290734326964
Energy: 0.3328772384526528
Energy: 0.4217935570399166
Energy: 0.33213354888360463
Energy: 0.3331800790350536
Energy: 0.4135938054734736
Energy: 0.33206273445627393
Energy: 0.30454239317240794
Energy: 0.3876143027952967
Energy: 0.3644980962120688
Energy: 0.3649453753403669
Energy: 0.414285290657617
Energy: 0.36369928806950724
Energy: 0.33289130160123337
Energy: 0.399963902598234
Energy: 0.4016984661568631
Energy: 0.3322311595121581
Energy: 0.3772116783068763
Energy: 0.3698702183933189
Energy: 0.40169488930240443
Energy: 0.4006013119633406
Energy: 0.39963489753210973
Energy: 0.4000735151614862
Energy: 0.3825500881348809
Energy: 0.40003934561837584
Energy: 0.4369745237064653
Energy: 0.3702388600608334
Energy: 0.3995543266718418
Energy: 0.4292772150990616
Energy: 0.3683891997594019
Energy: 0.39954993612075607
Energy: 0.3998084396837607
Energy: 0.3792680747027201
Energy: 0.40071576189037894
Energy: 0.4234135704283049
Energy: 0.3776122867582358
Energy: 0.4445986141769167

minimum gb energy = 0.30454239317240794 eV
minimum distance =  2.61380784733991 Angstroms
sigma value = 33


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

Energy: 0.4263025054604567
Energy: 0.4700841169057058
Energy: 0.4891496264926344
Energy: 0.4170294348376911
Energy: 0.5370996264876684
Energy: 0.4244440699325432
Energy: 0.4503449826109348
Energy: 0.44672286353631063
Energy: 0.4298196284148821
Energy: 0.44716644843393905
Energy: 0.44833503941504904
Energy: 0.3966071312286661
Energy: 0.4566520869208874
Energy: 0.4519235484289761
Energy: 0.45227406676114956
Energy: 0.3938000713695484
Energy: 0.452552086557511
Energy: 0.4720157431076623
Energy: 0.44925289429139487
Energy: 0.4529655993208933
Energy: 0.45157409996428133
Energy: 0.45012351828269465
Energy: 0.4717053405960741
Energy: 0.4626192972955829
Energy: 0.3865425768138235
Energy: 0.4293978819638969
Energy: 0.4305973732745977
Energy: 0.3859184953926354
Energy: 0.4481602303560675
Energy: 0.4530160826115319
Energy: 0.34232149666349837
Energy: 0.3669395163347044
Energy: 0.4523350360813191
Energy: 0.4038207320790099
Energy: 0.42133208181750204
Energy: 0.40300861121429304
Energy: 0.3859815957681983
Energy: 0.4313363059390381
Energy: 0.36826465947176906
Energy: 0.3858832449472414
Energy: 0.4665601880150868
Energy: 0.36712556178548766
Energy: 0.38748674928463905
Energy: 0.41032059840466517
Energy: 0.4024858931459616
Energy: 0.38816801706996223
Energy: 0.4056228831902798
Energy: 0.40075048481230263
Energy: 0.42116757218141715
Energy: 0.3901353915665511
Energy: 0.38502652426946404
Energy: 0.4360193900447201
Energy: 0.34241724010460023
Energy: 0.4018959677313197
Energy: 0.366182586570829
Energy: 0.3432707930248069
Energy: 0.3427714258454533
Energy: 0.39936919292758316
Energy: 0.34359368069073065
Energy: 0.34228326870236897
Energy: 0.34285797923581024
Energy: 0.3423720258448298
Energy: 0.39808788766821784
Energy: 0.4002944686908245
Energy: 0.3423148901163714
Energy: 0.3635890976112278
Energy: 0.34616206327376875
Energy: 0.37692671116261295
Energy: 0.3470636722038723
Energy: 0.34252992838244806
Energy: 0.4094075990241929
Energy: 0.34249707729667606
Energy: 0.34221297769828457
Energy: 0.34273574933567785
Energy: 0.342253820215466
Energy: 0.3422856099514383
Energy: 0.43492757229079304
Energy: 0.3423651006232662
Energy: 0.3313904132741675
Energy: 0.3732722068937114
Energy: 0.4030686380479632
Energy: 0.39170144946768715
Energy: 0.3875581293766211
Energy: 0.3638888096757433
Energy: 0.398290781709544
Energy: 0.3672082452479739
Energy: 0.3695428142666567
Energy: 0.37404749353030925
Energy: 0.3880731002573931
Energy: 0.40063679607787117
Energy: 0.4758509482161109
Energy: 0.43580351363703634
Energy: 0.415712418355719
Energy: 0.4704749441376598
Energy: 0.35285462756658986
Energy: 0.46465211285685587
Energy: 0.4559418417987902
Energy: 0.41534374347375486
Energy: 0.41549006214778594
Energy: 0.45615290126804076
Energy: 0.4183792049486648
Energy: 0.4166400209591194
Energy: 0.45023594263028555
Energy: 0.44646713762156887
Energy: 0.382175321794519
Energy: 0.44694295090377434
Energy: 0.44901830579532415
Energy: 0.382261947568455
Energy: 0.35260632673196834
Energy: 0.38885155848262737
Energy: 0.4884173171658569
Energy: 0.41626527035801186
Energy: 0.4215946093693541
Energy: 0.430908995898138
Energy: 0.41700365404533846
Energy: 0.4469749276553623
Energy: 0.4287773526902893
Energy: 0.4169871670064723
Energy: 0.4484075783204602
Energy: 0.39719057079795633
Energy: 0.4568193420112731
Energy: 0.4627413865863675
Energy: 0.4516932154485801
Energy: 0.3953907771537106
Energy: 0.47220240400250113
Energy: 0.4296339029098882
Energy: 0.3954897187057308
Energy: 0.4516473549401516
Energy: 0.4518395366767251
Energy: 0.39448225040881985
Energy: 0.46560482485622123
Energy: 0.45239084903116783
Energy: 0.386656984830446
Energy: 0.4292398123412969
Energy: 0.43113979351246373
Energy: 0.3862690638521896
Energy: 0.4480983964389888
Energy: 0.43412700150957717
Energy: 0.3421438949932444
Energy: 0.38933447261019394
Energy: 0.38686561085644555
Energy: 0.404378319275809
Energy: 0.4550057622957868
Energy: 0.39159886534498034
Energy: 0.3859023443321123
Energy: 0.42943604459841783
Energy: 0.43091377926767765
Energy: 0.3856962861173945
Energy: 0.4657242723464191
Energy: 0.386426523989645
Energy: 0.3874456826508059
Energy: 0.4118731896035345
Energy: 0.4017810063490189
Energy: 0.3875070520658145
Energy: 0.4068003325217733
Energy: 0.4005987623857175
Energy: 0.38663014027195336
Energy: 0.4044841134479724
Energy: 0.37563712376198444
Energy: 0.437918701671727
Energy: 0.41437255453098387
Energy: 0.4020317454830883
Energy: 0.4161316360633284
Energy: 0.34299600109006967
Energy: 0.3426788322193298
Energy: 0.37289301572779854
Energy: 0.34416675511777156
Energy: 0.3422592065941596
Energy: 0.34319262966541547
Energy: 0.3425228658947782
Energy: 0.3423633374063595
Energy: 0.3998477294452306
Energy: 0.3423512218465033
Energy: 0.362792455005789
Energy: 0.3424535354951781
Energy: 0.37695819301916944
Energy: 0.3424337157592769
Energy: 0.3424403126209559
Energy: 0.40970320950541017
Energy: 0.3423862038563691
Energy: 0.3458490421189723
Energy: 0.3723658458533903
Energy: 0.3422866356223815
Energy: 0.34285274877645006
Energy: 0.4347812644961197
Energy: 0.3423354023840875
Energy: 0.33149240117708745
Energy: 0.3728242595368541
Energy: 0.37163617711509245
Energy: 0.3926003944288071
Energy: 0.37130867177777593
Energy: 0.3322947648140033
Energy: 0.3316924826087228
Energy: 0.36725159234960797
Energy: 0.3692623551185257
Energy: 0.40672233714350453
Energy: 0.3883774551968126
Energy: 0.400758777191508
Energy: 0.4076709497522617
Energy: 0.35328369989679537
Energy: 0.376985708573187
Energy: 0.40814665505202924
Energy: 0.35289448242998706
Energy: 0.3763496403213581
Energy: 0.4560711955815257
Energy: 0.42029306075645667
Energy: 0.4156831149895942
Energy: 0.4564905547392626
Energy: 0.3914605088199151
Energy: 0.3858301680472871
Energy: 0.45004582863674975
Energy: 0.3863179187133972
Energy: 0.3824017675408984
Energy: 0.3910578528562907
Energy: 0.38645339506181065
Energy: 0.38383969828482584
Energy: 0.3525745559597649
Energy: 0.3892164537879132
Energy: 0.48772449019336933
Energy: 0.41648088724723953
Energy: 0.3947492858746671
Energy: 0.43093887551453686

minimum gb energy = 0.3313904132741675 eV
minimum distance =  2.60943540688605 Angstroms
sigma value = 41


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

Energy: 0.6177265450774526
Energy: 0.6307561936093778
Energy: 0.5209226093625507
Energy: 0.45866216263293963
Energy: 0.6303633519004767
Energy: 0.519962644166351
Energy: 0.4935835125122864
Energy: 0.4708378397063591
Energy: 0.39436347335601213
Energy: 0.4146636565122344
Energy: 0.47111930885766184
Energy: 0.3948463755302737
Energy: 0.46853171068146254
Energy: 0.4498364042512279
Energy: 0.4481352939483614
Energy: 0.4000384503236686
Energy: 0.4890799447538547
Energy: 0.483528494404905
Energy: 0.41303021938901296
Energy: 0.48892849106734093
Energy: 0.4493655375293506
Energy: 0.4444807226829141
Energy: 0.3989393438988958
Energy: 0.4890662799666755
Energy: 0.39926666577979486
Energy: 0.4704321388972018
Energy: 0.4720938924359531
Energy: 0.4004403057903651
Energy: 0.47002445899408724
Energy: 0.41608594347962624
Energy: 0.4527224603060593
Energy: 0.4372286490503466
Energy: 0.4488086990622614
Energy: 0.46875472922510303
Energy: 0.5040731833842799
Energy: 0.4488735554995706
Energy: 0.3987634975113659
Energy: 0.38776985331552993
Energy: 0.38881256635918915
Energy: 0.39910363791353354
Energy: 0.4526460065645475
Energy: 0.40205046227795693
Energy: 0.39858185104524907
Energy: 0.38765747041819587
Energy: 0.38796444510783884
Energy: 0.3995713831230286
Energy: 0.44370470623697655
Energy: 0.39865229336106905
Energy: 0.5102218826686739
Energy: 0.4098538966454265
Energy: 0.4088831085322414
Energy: 0.3742777408673833
Energy: 0.40952240392378025
Energy: 0.3877030494789555
Energy: 0.4461657875109208
Energy: 0.4176740130981036
Energy: 0.40315429029244343
Energy: 0.42685557790567485
Energy: 0.4011023748623103
Energy: 0.40433184558494806
Energy: 0.5057900164729318
Energy: 0.40428148401291764
Energy: 0.4160775443476319
Energy: 0.47304264524559975
Energy: 0.373924918970735
Energy: 0.3996053414642177
Energy: 0.4689532811455973
Energy: 0.46034542864312433
Energy: 0.37396366688072796
Energy: 0.40419470991430145
Energy: 0.46005258872114413
Energy: 0.41196807196457486
Energy: 0.493738713051386
Energy: 0.4145977270990882
Energy: 0.3944897700427513
Energy: 0.41400233764409416
Energy: 0.4719394431491056
Energy: 0.4355975894548457
Energy: 0.3745289384363099
Energy: 0.43557249165596906
Energy: 0.5191336484112951
Energy: 0.4561566718867132
Energy: 0.5017259676727721
Energy: 0.5186950600894908

minimum gb energy = 0.373924918970735 eV
minimum distance =  2.60996668901089 Angstroms
sigma value = 11


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

Energy: 0.7296792099321762
Energy: 0.4752442305630122
Energy: 0.5143882397931921
Energy: 0.5117759317233561
Energy: 0.5478516550934593
Energy: 0.4841620477889074
Energy: 0.5658680852894296
Energy: 0.4638241565980177
Energy: 0.45920181526732096
Energy: 0.4639600697827252
Energy: 0.45995219039777563
Energy: 0.464439850693238
Energy: 0.5730365837213984
Energy: 0.528707681726086
Energy: 0.4705180315438274
Energy: 0.5192803569088135
Energy: 0.5300585902030448
Energy: 0.46234392541411057
Energy: 0.5013058553826317
Energy: 0.47068133607970597
Energy: 0.459863993600674
Energy: 0.47343033293922315
Energy: 0.44633020960105435
Energy: 0.45921115438595245
Energy: 0.511701302645585
Energy: 0.4549128575897642
Energy: 0.4601564162271809
Energy: 0.4728930099090704
Energy: 0.4513326530813813
Energy: 0.4601526168633361
Energy: 0.5711833014320792
Energy: 0.4556120644492567
Energy: 0.4550578216233421
Energy: 0.45938227774125023
Energy: 0.45569237724357753
Energy: 0.45484516945185693
Energy: 0.4530824565685287
Energy: 0.4593653138982481
Energy: 0.45528052175722095
Energy: 0.4529866472472485
Energy: 0.4546318586787943
Energy: 0.4553092725768858
Energy: 0.4611487499322085
Energy: 0.4644827045963304
Energy: 0.4614673811499583
Energy: 0.4514581680967443
Energy: 0.47273692323887445
Energy: 0.4627237842439125
Energy: 0.43743294400548943
Energy: 0.46303924748184483
Energy: 0.4611739860161268
Energy: 0.5023498798690486
Energy: 0.46426343494664135
Energy: 0.4536765897542679
Energy: 0.45086862890096674
Energy: 0.4607108722823417
Energy: 0.4592750499408399
Energy: 0.5021219549164416
Energy: 0.4883332367424892
Energy: 0.45419814297945454
Energy: 0.45090664080334364
Energy: 0.47336458136274623
Energy: 0.4613514402670567
Energy: 0.4498955623568213
Energy: 0.4741149173217144
Energy: 0.4625844828044248
Energy: 0.6288418282888066
Energy: 0.473637079835577
Energy: 0.5024837832782456
Energy: 0.4970342237074321
Energy: 0.5280822306118302
Energy: 0.4998866319037285
Energy: 0.4539607761092236
Energy: 0.4656568101541683
Energy: 0.4772177705617877
Energy: 0.45582859374982215
Energy: 0.46349223084446284
Energy: 0.46384638660814403
Energy: 0.4384546169475436
Energy: 0.5163879108143249
Energy: 0.47261631055284253
Energy: 0.48456662895744684
Energy: 0.5143028681595451
Energy: 0.47111467711676813
Energy: 0.44331048607429036
Energy: 0.4490898333595246
Energy: 0.46561963129222256
Energy: 0.44757829396870263
Energy: 0.4726314464517274
Energy: 0.4718864631700501
Energy: 0.4489755433226442
Energy: 0.4466370165170478
Energy: 0.4481595655540273
Energy: 0.44916402915107384
Energy: 0.4569377284638115
Energy: 0.4457010635695762
Energy: 0.4441605341027317
Energy: 0.4467978859396242
Energy: 0.4694568544928294
Energy: 0.4428099676037875
Energy: 0.4465446850905795
Energy: 0.4640185401086387
Energy: 0.5966768264798965
Energy: 0.48844856930383657
Energy: 0.46343472578957884
Energy: 0.47122093428285783
Energy: 0.48522522551734465
Energy: 0.4538835383049479
Energy: 0.4794303330286017
Energy: 0.4639713358050055
Energy: 0.4540571307469489
Energy: 0.4753752133726898
Energy: 0.46485048048649497
Energy: 0.4745172247548305
Energy: 0.4917738791775185
Energy: 0.5554595142000754
Energy: 0.45302221313353813
Energy: 0.4570299255587641
Energy: 0.5556470787931521
Energy: 0.45122416231660833
Energy: 0.48826090029123115
Energy: 0.4519207523723718
Energy: 0.5016444498141686
Energy: 0.46732447986045106
Energy: 0.4502049260858111
Energy: 0.46531334678848124
Energy: 0.4739349099482238
Energy: 0.4608590434511058
Energy: 0.4641095600264311
Energy: 0.4547182776807624
Energy: 0.46149016773568674
Energy: 0.4615612466970808
Energy: 0.43933755304591654
Energy: 0.4592458055335989
Energy: 0.4779905053248057
Energy: 0.5295668545562239
Energy: 0.4908073976703589
Energy: 0.46338053472890245
Energy: 0.511009099265081
Energy: 0.4727461379491461
Energy: 0.474266234175761
Energy: 0.4648559610887711
Energy: 0.47543913572260593
Energy: 0.4729522154542546
Energy: 0.48803890048644716
Energy: 0.46385705969567476
Energy: 0.4598573311305642
Energy: 0.48384787604553103
Energy: 0.4588828577615952
Energy: 0.45802926631155705
Energy: 0.5267461107783692
Energy: 0.44802829153391693
Energy: 0.46324070294117736
Energy: 0.4811488927727573
Energy: 0.442442684045912
Energy: 0.47161693171444696
Energy: 0.5503118753829443
Energy: 0.4437712430525628
Energy: 0.4444776312293761
Energy: 0.4468268103569195
Energy: 0.44419655964051036
Energy: 0.4473699318656378
Energy: 0.5169955848829175
Energy: 0.4471548990985327
Energy: 0.4466082957127495
Energy: 0.46568070184905
Energy: 0.4471693950226258
Energy: 0.47704208324765573
Energy: 0.5524277131694108
Energy: 0.46128589290603644
Energy: 0.4629666547802569
Energy: 0.5325611694978584
Energy: 0.4645329211258246
Energy: 0.4634057813730221
Energy: 0.5668424470026379
Energy: 0.45794035238822045
Energy: 0.46374052443492825
Energy: 0.46061802081245234
Energy: 0.45794508344264506
Energy: 0.4769187518761596
Energy: 0.43799625333526565
Energy: 0.4760025415626833
Energy: 0.5198781563978877
Energy: 0.5548035638912313
Energy: 0.457325519262676
Energy: 0.4694594319998245

minimum gb energy = 0.43743294400548943 eV
minimum distance =  2.6379931946277 Angstroms
sigma value = 57


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

Energy: 0.639976774059083
Energy: 0.6865952043919294
Energy: 0.5393212624242498
Energy: 0.5395305177373059
Energy: 0.6837434035575765
Energy: 0.5407299167363794
Energy: 0.5408564056587083
Energy: 0.45827381455488386
Energy: 0.46201232337729614
Energy: 0.4584248163387791
Energy: 0.46013181595971453
Energy: 0.461358615728728
Energy: 0.4914331512129878
Energy: 0.45292557718636894
Energy: 0.45158701690336944
Energy: 0.49461075166697466
Energy: 0.4523936832859059
Energy: 0.46179715736407195
Energy: 0.49347369260075585
Energy: 0.4585974316629265
Energy: 0.4628640193755078
Energy: 0.46194720531140776
Energy: 0.451734792110903
Energy: 0.4622154766383026
Energy: 0.473254102576326
Energy: 0.4596563995497449
Energy: 0.4623690191119711
Energy: 0.4754862845370599
Energy: 0.46085853594904913
Energy: 0.4628458717347142
Energy: 0.494362982642068
Energy: 0.4965547445564914
Energy: 0.49859056213105923
Energy: 0.45776648126538744
Energy: 0.4929393901007389
Energy: 0.5032428051963274
Energy: 0.49652975573757047
Energy: 0.5007879478037333
Energy: 0.44461923621752597
Energy: 0.4938726491539911
Energy: 0.4956762416120879
Energy: 0.5016237333033615
Energy: 0.5412380102044342
Energy: 0.47722213479880227
Energy: 0.4622690828702108
Energy: 0.46037703616045456
Energy: 0.47390855786477953
Energy: 0.4629007393796809
Energy: 0.4377243786051631
Energy: 0.4603617473733832
Energy: 0.43840829961355166
Energy: 0.4377289093123138
Energy: 0.49697410996174046
Energy: 0.4385180638687118
Energy: 0.4370648959675236
Energy: 0.5014167998954354
Energy: 0.43852266102665927
Energy: 0.43777594670312875
Energy: 0.4960728242837192
Energy: 0.43824748825972465
Energy: 0.5407744662621109
Energy: 0.47826625603888323
Energy: 0.4612119170316118
Energy: 0.4607644555312708
Energy: 0.47465381364185344
Energy: 0.4626880056489962
Energy: 0.6598049220422598
Energy: 0.5203562020902388
Energy: 0.4928417768359693
Energy: 0.6633744913174188
Energy: 0.5204965826238157
Energy: 0.5018213004913564
Energy: 0.4748490706758626
Energy: 0.457961134257791
Energy: 0.45896447728570333
Energy: 0.4602643687472069
Energy: 0.4589139678599499
Energy: 0.4614893171573609
Energy: 0.49440055653186205
Energy: 0.4991150695757631
Energy: 0.5016593070120905
Energy: 0.4950059834824937
Energy: 0.49533678176451806
Energy: 0.504851840103458
Energy: 0.4923287124436063
Energy: 0.43788076257231845
Energy: 0.4627665870910095
Energy: 0.4744516343501168
Energy: 0.4376661465358879
Energy: 0.46251002721000073
Energy: 0.49172244215045563
Energy: 0.4372248295071957
Energy: 0.4378298523369026
Energy: 0.4954280980498171
Energy: 0.4371972234521732
Energy: 0.4627772063957999
Energy: 0.43712382802906996
Energy: 0.4576467382603339
Energy: 0.46074005590673545
Energy: 0.4383540439631209
Energy: 0.4597910312869278
Energy: 0.45827048893179917

minimum gb energy = 0.4370648959675236 eV
minimum distance =  2.69256249913634 Angstroms
sigma value = 9


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

Energy: 0.7884650412584993
Energy: 0.5181966100091365
Energy: 0.5403628498588586
Energy: 0.624627572079643
Energy: 0.7204309285211054
Energy: 0.5410314262926122
Energy: 0.5659875339183433
Energy: 0.4981460825433158
Energy: 0.4961388439480458
Energy: 0.4895755940063928
Energy: 0.49540738082386115
Energy: 0.49379991325647477
Energy: 0.5483082916192203
Energy: 0.5007787336963735
Energy: 0.537006218378137
Energy: 0.5283181247268182
Energy: 0.49887960339199927
Energy: 0.5311480108655005
Energy: 0.5213935694115204
Energy: 0.49798529996108126
Energy: 0.5020591067006452
Energy: 0.5151398171148218
Energy: 0.509305225441658
Energy: 0.5027919329904573
Energy: 0.5034160376171073
Energy: 0.49756846614152817
Energy: 0.49607516482458675
Energy: 0.48251067359145206
Energy: 0.4996346137363701
Energy: 0.48749890078623487
Energy: 0.501781784946199
Energy: 0.48961234422941924
Energy: 0.48782959225182193
Energy: 0.49132253831340905
Energy: 0.49170488873866797
Energy: 0.4879255116042681
Energy: 0.5487880574296634
Energy: 0.5090666244627522
Energy: 0.539260180524202
Energy: 0.6228427395646847
Energy: 0.5067309918462338
Energy: 0.5573208132874957
Energy: 0.5135868843670752
Energy: 0.4902181553953664
Energy: 0.48787982886117065
Energy: 0.5093927905375037
Energy: 0.5024856065290059
Energy: 0.4888610846264367
Energy: 0.5739186708180484
Energy: 0.5147013241370937
Energy: 0.5194965507779709
Energy: 0.49881296105979095
Energy: 0.5235879897087852
Energy: 0.5117994491691483
Energy: 0.5746064476883965
Energy: 0.49531564366464254
Energy: 0.4987479501653382
Energy: 0.4870617696250766
Energy: 0.5005869209929946
Energy: 0.48319452318023703
Energy: 0.5134402707856206
Energy: 0.48143784383652455
Energy: 0.48179232154821555
Energy: 0.4996435294520109
Energy: 0.48056283419102913
Energy: 0.4822731088888188
Energy: 0.5141142349909383
Energy: 0.49283604545390886
Energy: 0.49296100677100635
Energy: 0.5167776009859077
Energy: 0.4842949775296199
Energy: 0.49669066718618177
Energy: 0.5827444860659647
Energy: 0.518029975820414
Energy: 0.5043994603647732
Energy: 0.5090996328161775
Energy: 0.514421202457437
Energy: 0.49082286416615506
Energy: 0.5674829781335822
Energy: 0.5080023168896526
Energy: 0.49565747322976855
Energy: 0.48630397989707913
Energy: 0.506935017150268
Energy: 0.49543536323930387
Energy: 0.5231977926267578
Energy: 0.48117469124446943
Energy: 0.4807014048033788
Energy: 0.5188453905112227
Energy: 0.48470019816376114
Energy: 0.4850583122037232
Energy: 0.5146716809824937
Energy: 0.5245890071981344
Energy: 0.533561541524103
Energy: 0.5174032065516307
Energy: 0.5331106379223466
Energy: 0.5239500562789899
Energy: 0.5171873517457286
Energy: 0.4976610650409461
Energy: 0.4980484499805007
Energy: 0.49512619662918533
Energy: 0.500243969528396
Energy: 0.5020326638729371
Energy: 0.5432344826517492
Energy: 0.5134423990141286
Energy: 0.5132798423612255
Energy: 0.5000943832178558
Energy: 0.5139293266239316
Energy: 0.5126105581663939
Energy: 0.5463381992606992
Energy: 0.49031400434195926
Energy: 0.4923001418263284
Energy: 0.5256078574629135
Energy: 0.48986741882898355
Energy: 0.5051897710207243
Energy: 0.5509979852093504
Energy: 0.49052193210455525
Energy: 0.49258567910773976
Energy: 0.508790963750103
Energy: 0.48951600360469155
Energy: 0.4945970492709921
Energy: 0.5392138279171044
Energy: 0.5039805932124038
Energy: 0.5022925626591053
Energy: 0.4964974656305601
Energy: 0.5030360541498547
Energy: 0.4875384402098571

minimum gb energy = 0.48056283419102913 eV
minimum distance =  2.62162669450445 Angstroms
sigma value = 27


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

Energy: 0.6805839082574233
Energy: 0.6150660117050927
Energy: 0.48020522453396663
Energy: 0.4752886572634589
Energy: 0.611744373759017
Energy: 0.5118342710854865
Energy: 0.6201640301959304
Energy: 0.48315394751398705
Energy: 0.5182471013245825
Energy: 0.5107321381663317
Energy: 0.5152767326062734
Energy: 0.518035594276513
Energy: 0.6200219138483903
Energy: 0.5436962593973906
Energy: 0.4862425460373878
Energy: 0.5403010290850563
Energy: 0.4671167876142276
Energy: 0.5579781153555606
Energy: 0.5899254496534433
Energy: 0.5538414057541272
Energy: 0.4940671531409009
Energy: 0.5483309500760293
Energy: 0.5278632290714474
Energy: 0.5241194228122877
Energy: 0.47909619238613044
Energy: 0.4865010113861347
Energy: 0.4575773240303107
Energy: 0.4700503097418128
Energy: 0.5560379609415804
Energy: 0.4856729672551463
Energy: 0.5331797694860049
Energy: 0.5324795623597057
Energy: 0.5318331547081587
Energy: 0.5212356400761435
Energy: 0.5254242936543986
Energy: 0.5323307322352918
Energy: 0.5753457067693539
Energy: 0.5055258594201829
Energy: 0.5057289913863984
Energy: 0.5452385074565589
Energy: 0.5057396517977455
Energy: 0.4984121377700067
Energy: 0.558855009859204
Energy: 0.49638874659821963
Energy: 0.533467078258963
Energy: 0.542761452001815
Energy: 0.4954470486895816
Energy: 0.54415348602736
Energy: 0.5954551370032841
Energy: 0.5211579508156976
Energy: 0.531838186133593
Energy: 0.5051028984980908
Energy: 0.571576777526609
Energy: 0.503638129376272
Energy: 0.5940199989815621
Energy: 0.4972552939161523
Energy: 0.4983592734150519
Energy: 0.5054385917021124
Energy: 0.5216653878160227
Energy: 0.5052468632941467
Energy: 0.6020676898537443
Energy: 0.5412149307463713
Energy: 0.5260402580068487
Energy: 0.5756079940248733
Energy: 0.4682606754154334
Energy: 0.5224212721902008
Energy: 0.547518335592119
Energy: 0.4874490958010549
Energy: 0.4865380184488331
Energy: 0.5264082981039339
Energy: 0.48693371968417926
Energy: 0.48672263601343907
Energy: 0.5388393274102392
Energy: 0.5058496038775347
Energy: 0.5053362848852156
Energy: 0.5058355303931488
Energy: 0.509815352019473
Energy: 0.5059198714198689
Energy: 0.5616847828478265
Energy: 0.5085190160168496
Energy: 0.506748687931408
Energy: 0.5041435479106365
Energy: 0.5078698212639416
Energy: 0.5063961996090772
Energy: 0.5473763529948454
Energy: 0.4906190319472733
Energy: 0.48593911757602276
Energy: 0.5396499105016793
Energy: 0.4877647552579439
Energy: 0.4873192139076248
Energy: 0.5644629894413239
Energy: 0.5079149380773045
Energy: 0.5109467554088516
Energy: 0.5296427420525452
Energy: 0.49095014907753587
Energy: 0.5280866066729807
Energy: 0.4782340792617423
Energy: 0.5176316520181451
Energy: 0.5136444653215329
Energy: 0.4709260780709571
Energy: 0.516117156227852
Energy: 0.5023360759300662
Energy: 0.5147096607538391
Energy: 0.5081181358173131
Energy: 0.5047659598275906
Energy: 0.5062988973121809
Energy: 0.5070243558457201
Energy: 0.5048461432467348
Energy: 0.5565324474928195
Energy: 0.5066192651651843
Energy: 0.5066099892039686
Energy: 0.5398905957659013
Energy: 0.5048789210807588
Energy: 0.506524804583225
Energy: 0.5860695719912684
Energy: 0.5053392210829674
Energy: 0.5069208654523968
Energy: 0.4904158018270665
Energy: 0.5048668828905765
Energy: 0.5062921050213518
Energy: 0.6407335842802925
Energy: 0.5077588244711906
Energy: 0.5140126319843742
Energy: 0.5268314358827105
Energy: 0.5595806934177412
Energy: 0.5311388561740888
Energy: 0.47526875813923936
Energy: 0.5397703125124418
Energy: 0.5454651640321504
Energy: 0.4700958836466951
Energy: 0.5711060513302063
Energy: 0.550313025970219
Energy: 0.6211327048785487
Energy: 0.5218932592742084
Energy: 0.4887008088774176
Energy: 0.5191442974167152
Energy: 0.4781398507268473
Energy: 0.5254887810914396
Energy: 0.6223744789188713
Energy: 0.48109116427842813
Energy: 0.47529782635588663
Energy: 0.5426194184722175
Energy: 0.4934898618265149
Energy: 0.5346031788380248
Energy: 0.5424269692814788
Energy: 0.5043854760176139
Energy: 0.4868069531585946
Energy: 0.46020672143481595
Energy: 0.4810312391486841
Energy: 0.5113140380665063

minimum gb energy = 0.4575773240303107 eV
minimum distance =  2.57210379832391 Angstroms
sigma value = 19


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

Energy: 0.5301974031845796
Energy: 0.5825819083113424
Energy: 0.44749392123945164
Energy: 0.6194024937377417
Energy: 0.6324537968388083
Energy: 0.4436648780036045
Energy: 0.5858414823826344
Energy: 0.4969970805715625
Energy: 0.4726691816679086
Energy: 0.480597831601326
Energy: 0.4547374729364618
Energy: 0.4520192877121555
Energy: 0.5411113707972038
Energy: 0.4565050033698515
Energy: 0.4555307820442762
Energy: 0.5161708885985722
Energy: 0.4553837660641848
Energy: 0.4555766129133937
Energy: 0.542327859266671
Energy: 0.45220660351269815
Energy: 0.4524766401898015
Energy: 0.4730826284996238
Energy: 0.4515498741730453
Energy: 0.45229707064034363
Energy: 0.4590287180782981
Energy: 0.5058099786183903
Energy: 0.45602669354370484
Energy: 0.457705315291488
Energy: 0.5058797793568862
Energy: 0.4555887391872671
Energy: 0.4688697103723225
Energy: 0.4807499089540291
Energy: 0.48523383782352925
Energy: 0.4606541722279566
Energy: 0.48689968052263194
Energy: 0.45408658085924153
Energy: 0.5753784145583389
Energy: 0.4483186397463315
Energy: 0.47280907575924586
Energy: 0.5187341575802787
Energy: 0.4487609954731928
Energy: 0.4737036284429161
Energy: 0.49058990823454757
Energy: 0.45169508810768577
Energy: 0.45310834806822525
Energy: 0.46046003264210333
Energy: 0.45334651140952825
Energy: 0.45312480784696174
Energy: 0.4517908682774153
Energy: 0.455983243591909
Energy: 0.4557615745071499
Energy: 0.45366192967833796
Energy: 0.45475298368474426
Energy: 0.454497275377234
Energy: 0.45201997197125265
Energy: 0.461104760342929
Energy: 0.4554833481938256
Energy: 0.451343113595301
Energy: 0.4806086619131426
Energy: 0.4551529777059154
Energy: 0.5456106462427907
Energy: 0.4490728420607978
Energy: 0.5477375612896476
Energy: 0.5345336890309065
Energy: 0.4508219957595357
Energy: 0.49624510217218404
Energy: 0.5425389230712786
Energy: 0.4474417313306407
Energy: 0.44770938112351155
Energy: 0.4666484307897208
Energy: 0.45193998405527464
Energy: 0.44802677467411867
Energy: 0.46902762271736015
Energy: 0.4854565257875711
Energy: 0.4590017456495998
Energy: 0.4487354950410834
Energy: 0.4863610123237911
Energy: 0.4610002262569618
Energy: 0.4949753599419783
Energy: 0.45289416882662253
Energy: 0.4566523986618677
Energy: 0.44337124571278913
Energy: 0.4949050795524467
Energy: 0.45454918296885366
Energy: 0.516395399388364
Energy: 0.4467746629863843
Energy: 0.44697190562408934
Energy: 0.44674152653521343
Energy: 0.44676138084137057
Energy: 0.44719033228619354
Energy: 0.5278031993988382
Energy: 0.44829665324007534
Energy: 0.448382891683192
Energy: 0.4483505851347424
Energy: 0.4514038729642156
Energy: 0.44841279524408684
Energy: 0.4587310190326745
Energy: 0.47038260749856464
Energy: 0.45883258324961407
Energy: 0.44514242748721145
Energy: 0.48628950992472614
Energy: 0.4573788353190043
Energy: 0.4814228374591359
Energy: 0.44816614458608633
Energy: 0.44793514525470435
Energy: 0.44373867966462543
Energy: 0.48388020640170654
Energy: 0.44810305038353787
Energy: 0.5065171460986195
Energy: 0.44971489227249434
Energy: 0.4501993144825218
Energy: 0.5146382403008734
Energy: 0.44963968404115123
Energy: 0.4854346223013393
Energy: 0.5361020390255696
Energy: 0.4690356925168949
Energy: 0.4700723779334731
Energy: 0.48459971242280525
Energy: 0.44452637562281067
Energy: 0.4796006357171545
Energy: 0.44893163530282215
Energy: 0.44789385038500734
Energy: 0.44788495783471993
Energy: 0.44809328125403514
Energy: 0.4476937772774104
Energy: 0.4479353838775592
Energy: 0.4607842872640868
Energy: 0.4460931017436659
Energy: 0.4469342937373073
Energy: 0.4592480680060511
Energy: 0.4465528174740781
Energy: 0.4470167762393487
Energy: 0.5358071009117117
Energy: 0.4530145818121814
Energy: 0.458289156640668
Energy: 0.5227336981983903
Energy: 0.4529866703272112
Energy: 0.471452512976837
Energy: 0.5296100499563796
Energy: 0.44199570317584086
Energy: 0.44858860877905354
Energy: 0.50782535742096
Energy: 0.44196133750506106
Energy: 0.44878261430770533
Energy: 0.4814985037637816
Energy: 0.4515693894270257
Energy: 0.44783879207851096
Energy: 0.4465985576346173
Energy: 0.508350081429826
Energy: 0.44741215419336905
Energy: 0.45934258709555076
Energy: 0.4547354368205987
Energy: 0.455076682146685
Energy: 0.45176103726296246
Energy: 0.5087485493675595
Energy: 0.4532622520600157
Energy: 0.5382423478436088
Energy: 0.45485244427404936
Energy: 0.45501105657941726
Energy: 0.45493925878754554
Energy: 0.4556148576756505
Energy: 0.45507273761689365
Energy: 0.5311745831075447
Energy: 0.4520240500966736
Energy: 0.4524054083313875
Energy: 0.4529485883937016
Energy: 0.4518027319501009
Energy: 0.452071677054182
Energy: 0.4793190459559037
Energy: 0.4837111086318848
Energy: 0.5235156241852011
Energy: 0.4649323474699215
Energy: 0.4896667957540641
Energy: 0.4696158561999343

minimum gb energy = 0.44196133750506106 eV
minimum distance =  2.64663837571211 Angstroms
sigma value = 101


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

Energy: 0.6759476940837528
Energy: 0.43187812454770574
Energy: 0.4377093568475954
Energy: 0.588616842216029
Energy: 0.5907088440215664
Energy: 0.589406772144484
Energy: 0.5758168298446633
Energy: 0.43667070480550246
Energy: 0.43652791154482823
Energy: 0.4603288066919651
Energy: 0.4390629638504417
Energy: 0.43192575196272315
Energy: 0.5434228250675037
Energy: 0.43520014796011375
Energy: 0.43492620999043463
Energy: 0.5044893438883691
Energy: 0.43478529114888353
Energy: 0.4349012879928226
Energy: 0.443988043215881
Energy: 0.43708559493767957
Energy: 0.43600403489628775
Energy: 0.43578146756238795
Energy: 0.436936522855645
Energy: 0.43274669306516567
Energy: 0.4392617115838658
Energy: 0.5027935786984
Energy: 0.4634144845729759
Energy: 0.43767382492230006
Energy: 0.5041309244049194
Energy: 0.43952371458104644
Energy: 0.461337551770867
Energy: 0.47459414816582884
Energy: 0.46222600632269634
Energy: 0.4456475390738248
Energy: 0.4737840032955675
Energy: 0.4320018597755363
Energy: 0.4695367151335756
Energy: 0.4303144281944797
Energy: 0.43030148059758105
Energy: 0.47114602900910924
Energy: 0.43115697206636083
Energy: 0.4303813059910139
Energy: 0.43114091853855335
Energy: 0.4605600941114973
Energy: 0.43206744543217984
Energy: 0.43966841597501416
Energy: 0.42900845777262364
Energy: 0.46068026220114927
Energy: 0.4318044697178514
Energy: 0.43583911068198555
Energy: 0.4331654078511988
Energy: 0.43547011235433497
Energy: 0.4336497259169777
Energy: 0.4330665443772906
Energy: 0.43082964024921044
Energy: 0.4378688341195506
Energy: 0.4392921760146622
Energy: 0.4374405203567436
Energy: 0.45468816752589714
Energy: 0.438810515820969
Energy: 0.5384949607610772
Energy: 0.42255610769751994
Energy: 0.5387804416832405
Energy: 0.501949326962417
Energy: 0.4222943775703128
Energy: 0.5390273383806522
Energy: 0.47260998738478177
Energy: 0.4390302665419879
Energy: 0.43935213710160576
Energy: 0.4404235820721206
Energy: 0.4346359296112259
Energy: 0.43908506710446865
Energy: 0.5587024448120815
Energy: 0.51730717262829
Energy: 0.481208937961615
Energy: 0.43046064275666696
Energy: 0.5308189652533094
Energy: 0.43381529246054257
Energy: 0.4429042738107165
Energy: 0.45193010773959535
Energy: 0.4505937282025153
Energy: 0.43327790002505373
Energy: 0.45806097208965196
Energy: 0.4412732648205567
Energy: 0.5339987997278539
Energy: 0.43857598809699916
Energy: 0.4360072924193706
Energy: 0.4370558273140952
Energy: 0.4335704832436664
Energy: 0.4358745801087616
Energy: 0.5446830465270567
Energy: 0.43700429608346936
Energy: 0.4371860310417971
Energy: 0.43206730828418577
Energy: 0.4368131647957591
Energy: 0.4319733644441478
Energy: 0.678300525616282
Energy: 0.511142159341985
Energy: 0.4412009262143612
Energy: 0.41881509053307114
Energy: 0.512509237989429
Energy: 0.45118682095077606
Energy: 0.5055939085250909
Energy: 0.4510925365582974
Energy: 0.4335880735759999
Energy: 0.44217129689621637
Energy: 0.43781950114393375
Energy: 0.4400493040532719
Energy: 0.5456013620803128
Energy: 0.4332189750380323
Energy: 0.43432961720399993
Energy: 0.5036621902221888
Energy: 0.43639487310982916
Energy: 0.4346270253496347
Energy: 0.4901620948103321
Energy: 0.43251814777111114
Energy: 0.4324156364815816
Energy: 0.4965864693197627
Energy: 0.43217513667097923
Energy: 0.4369318030531002
Energy: 0.4411272673581708
Energy: 0.5025940520002629
Energy: 0.5080684518404809
Energy: 0.43960061989348787
Energy: 0.5057758671518553
Energy: 0.438010593223074
Energy: 0.4599749130879529
Energy: 0.4324168256680315
Energy: 0.43200012552547096
Energy: 0.4393409466689538
Energy: 0.475122265869665
Energy: 0.4371399706334974
Energy: 0.46945588920541925
Energy: 0.42964025419109164
Energy: 0.42965888327689283
Energy: 0.45833695608735675
Energy: 0.4311203726445177
Energy: 0.4293154047935527
Energy: 0.47007628116269884
Energy: 0.42955853005636074
Energy: 0.4545761758594883
Energy: 0.4416693610784908
Energy: 0.42935470952628096
Energy: 0.43467515463708756
Energy: 0.43602555021418193
Energy: 0.4325928828884271
Energy: 0.43242514844424806
Energy: 0.44209096113590923
Energy: 0.43231602789525225
Energy: 0.432409112369748
Energy: 0.43158585824624157
Energy: 0.4382420320735666
Energy: 0.4370181659046533
Energy: 0.4371247021571536
Energy: 0.440283429464029
Energy: 0.4372358809774003
Energy: 0.5383133884262203
Energy: 0.4220339138583663
Energy: 0.4219126619044064
Energy: 0.4572559232802123
Energy: 0.4246982496453708
Energy: 0.5385892945621383
Energy: 0.5402059086673183
Energy: 0.4223977826948743
Energy: 0.4223915657050631
Energy: 0.5153447986918672
Energy: 0.4220141939037841
Energy: 0.43781397317080456
Energy: 0.44364178173701635
Energy: 0.45966854743961144
Energy: 0.46097024625707667
Energy: 0.42949563763978527
Energy: 0.510794351479427
Energy: 0.45936215124861096
Energy: 0.44395141808963273
Energy: 0.4849006246800497
Energy: 0.43596271747664694
Energy: 0.4306562234434194
Energy: 0.45639700947075046
Energy: 0.4334106142359756
Energy: 0.5455766138673209
Energy: 0.43726588782920317
Energy: 0.43745617051541613
Energy: 0.4361613792230797
Energy: 0.4398041014473162
Energy: 0.4376081111532563
Energy: 0.5443555860576578
Energy: 0.43696390944469016
Energy: 0.4318291801178046
Energy: 0.43206137157583335
Energy: 0.4369676268400101
Energy: 0.43206119650843
Energy: 0.44435953070602
Energy: 0.5507072129687149
Energy: 0.4726616354169715
Energy: 0.41920523956610356
Energy: 0.47995147507723257
Energy: 0.472402879418172

minimum gb energy = 0.41881509053307114 eV
minimum distance =  2.65023709014501 Angstroms
sigma value = 33


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

Energy: 0.011785207118774428
Energy: 0.37968680393200177
Energy: 0.012120776211236306
Energy: 0.013202153807680977
Energy: 0.38202617377293524
Energy: 0.01216829138023045
Energy: 0.3583618943845036
Energy: 0.06872315104949747
Energy: 0.06817845088767571
Energy: 0.06766725293274642
Energy: 0.06885875513617613
Energy: 0.06823374328568166
Energy: 0.6694531685513154
Energy: 0.379770127415764
Energy: 0.3782851749020985
Energy: 0.3776883448273686
Energy: 0.37890926959668986
Energy: 0.3785955360475526
Energy: 0.3583618943848403
Energy: 0.06872315104949747
Energy: 0.06817845088767571
Energy: 0.06766725293274642
Energy: 0.06885875513617613
Energy: 0.06823374328534496

minimum gb energy = 0.011785207118774428 eV
minimum distance =  2.81545237841944 Angstroms
sigma value = 1