Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Au__MO_468407568810_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080054295063022
cohesive_energy=3.930314242832764
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.068807226011498e-19, 1.72237192508268e-19, 2.2702682686116596e-19, 2.75048867112048e-19, 3.18829945812732e-19, 3.59113472921394e-19, 3.9571359594849e-19, 4.2852617341281e-19, 4.57767499159944e-19, 4.83778836812934e-19, 5.06887030405116e-19, 5.2737246084744e-19, 5.45470648105104e-19, 5.61388272963894e-19, 5.75298370500282e-19, 5.87361158377668e-19, 5.97711219433308e-19, 6.064639103848499e-19, 6.137201683602359e-19, 6.195520913079959e-19, 6.24025368470124e-19, 6.27176849909202e-19, 6.29041783511178e-19, 6.296570193386339e-19, 6.2899051385889e-19, 6.26832381932892e-19, 6.229262752991999e-19, 6.16959769514184e-19, 6.08452211587644e-19, 5.96900518056504e-19, 5.81715087919452e-19, 5.62184554750992e-19, 5.374341301089599e-19, 5.06387151295308e-19, 4.67686574701038e-19, 4.1960204956142994e-19, 3.59906550355224e-19, 2.85714556964586e-19, 1.9324813688654397e-19, 7.75266036189822e-20, -6.80838551911764e-20, -2.52636018179022e-19, -4.88748788731602e-19, -7.943880143166119e-19, -1.195294264735896e-18, -1.72852428335724e-18, -2.44934355099384e-18]
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: -5.96046447753906e-08 eV

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

Energy: 0.011899070986744066
Energy: 0.25514127642073803
Energy: 0.012817910675039805
Energy: 0.013799104130393041
Energy: 0.25507327069655805
Energy: 0.012315229681685087
Energy: 0.25514127642051915
Energy: 0.06442690288713963
Energy: 0.064407482196114
Energy: 0.06441797480458243
Energy: 0.06442199049626371
Energy: 0.06448738444753323
Energy: 0.012817910674793615
Energy: 0.06440748220525043
Energy: 0.06442316859715734
Energy: 0.01241046403508257
Energy: 0.06444606256652245
Energy: 0.06546874987923544
Energy: 0.013799104130393041
Energy: 0.06441797481421123
Energy: 0.01241046403437135
Energy: 0.012237372452270192
Energy: 0.06453169239645133
Energy: 0.012337522688324882
Energy: 0.25507327069655805
Energy: 0.06442199049724848
Energy: 0.06444606257303283
Energy: 0.06453169239598631
Energy: 0.0645007397466156
Energy: 0.06431770774481073
Energy: 0.012315229677116875
Energy: 0.06448738444753323
Energy: 0.06546874988093142
Energy: 0.012337522686410064
Energy: 0.06431770774240353
Energy: 0.012589471392717596

minimum gb energy = 0.011899070986744066 eV
minimum distance =  2.8782516427057 Angstroms
sigma value = 1


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

Energy: 0.7958110556718064
Energy: 0.5227976008515202
Energy: 0.5163354888589169
Energy: 0.4983339594822707
Energy: 0.7430751454436552
Energy: 0.5162573616138729
Energy: 0.7081148686269392
Energy: 0.48099089602122524
Energy: 0.4844241022016904
Energy: 0.4672421464150734
Energy: 0.4895846924211364
Energy: 0.47841181695814133
Energy: 0.7208389936970735
Energy: 0.48054768554426175
Energy: 0.48226594838970493
Energy: 0.4789239357513445
Energy: 0.4780123304754245
Energy: 0.4832361123756569
Energy: 0.7766428032607473
Energy: 0.48019740283889645
Energy: 0.4980236851060262
Energy: 0.4717997639488631
Energy: 0.48040358651380244
Energy: 0.47979166263565576
Energy: 0.7086840755148947
Energy: 0.4865501174494566
Energy: 0.48510970022011346
Energy: 0.4759703678217319
Energy: 0.4876505976039709
Energy: 0.4825447072754238
Energy: 0.7050649181873754
Energy: 0.49753221290303185
Energy: 0.48572676246335983
Energy: 0.4792243701667466
Energy: 0.497608159303142
Energy: 0.4848234951709071
Energy: 0.7062831061053727
Energy: 0.4832416826797337
Energy: 0.48821888269359975
Energy: 0.4786264712979934
Energy: 0.45792023597932074
Energy: 0.47976396386910547
Energy: 0.6959809492864036
Energy: 0.481042048966118
Energy: 0.4972653609264897
Energy: 0.45780166107113723
Energy: 0.4802047895556597
Energy: 0.48262432183705734
Energy: 0.5849510586325057
Energy: 0.47892654486273245
Energy: 0.4787548613575946
Energy: 0.4949973184966903
Energy: 0.4831879799403414
Energy: 0.4835875125166757
Energy: 0.5911701503570633
Energy: 0.47648656409544227
Energy: 0.4832188298155637
Energy: 0.4818488619918929
Energy: 0.4767622240442029
Energy: 0.48579895974206605
Energy: 0.5835297467150571
Energy: 0.477555174311292
Energy: 0.4779084342235496
Energy: 0.5168908306969876
Energy: 0.4777454765902413
Energy: 0.48159779742447223
Energy: 0.5336169456142084
Energy: 0.4832804734314991
Energy: 0.48274601947319357
Energy: 0.48713042128289585
Energy: 0.47711664259436726
Energy: 0.48248729567839926
Energy: 0.5297766644988525
Energy: 0.47801116049783643
Energy: 0.478211796569847
Energy: 0.48567593686835236
Energy: 0.4777907166161376
Energy: 0.4786366119012146
Energy: 0.5722549856365522
Energy: 0.47566571429288834
Energy: 0.49878222461101707
Energy: 0.4901469268048314
Energy: 0.4865054426269848
Energy: 0.4806275359637332
Energy: 0.5529304317605198
Energy: 0.47608082663125345
Energy: 0.4828159151767979
Energy: 0.4916676266887678
Energy: 0.47633592718530915
Energy: 0.4853160754664908
Energy: 0.5482884352283642
Energy: 0.48192448515085723
Energy: 0.47966029389307396
Energy: 0.4857325073900478
Energy: 0.483247684051918
Energy: 0.478892563508728
Energy: 0.6644063555515194
Energy: 0.4787380776362127
Energy: 0.48153352227007745
Energy: 0.4770347565534236
Energy: 0.47796368703917136
Energy: 0.47519148143468537
Energy: 0.6429408224976674
Energy: 0.4814157255903075
Energy: 0.4902753507870422
Energy: 0.4852003610606973
Energy: 0.45364369116495856
Energy: 0.4918274668931506
Energy: 0.6442653114572512
Energy: 0.49399353976489024
Energy: 0.4921030640109424
Energy: 0.4818075421344074
Energy: 0.485386152958353
Energy: 0.4915156576088457
Energy: 0.6838544181432451
Energy: 0.48556745893277503
Energy: 0.49259973492049663
Energy: 0.480824578738819
Energy: 0.485806065470853
Energy: 0.49179873199077107
Energy: 0.7325573310074452
Energy: 0.48059777356440414
Energy: 0.4823533829712177
Energy: 0.4768570333193547
Energy: 0.4730400122898995
Energy: 0.48141173487027317
Energy: 0.73944922228913
Energy: 0.48152446535822246
Energy: 0.483668135388535
Energy: 0.4758458097438674
Energy: 0.4750284793912621
Energy: 0.47951760972012497
Energy: 0.7328459445690431
Energy: 0.48180123255192203
Energy: 0.48439972419893546
Energy: 0.4771937801058425
Energy: 0.4931606231792562
Energy: 0.4777796571219436

minimum gb energy = 0.45364369116495856 eV
minimum distance =  2.69172304302275 Angstroms
sigma value = 33


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

Energy: 0.915137891561333
Energy: 0.5074176808954757
Energy: 0.52889928540082
Energy: 0.5301738077954566
Energy: 0.5180175255560839
Energy: 0.5523015919221741
Energy: 0.6940997634098272
Energy: 0.48398652357391364
Energy: 0.4864606835641974
Energy: 0.5041885969346438
Energy: 0.5111984253814607
Energy: 0.489597778403534
Energy: 0.6885007961674622
Energy: 0.4893076658687075
Energy: 0.4883243434795486
Energy: 0.523299916226338
Energy: 0.5154991042369221
Energy: 0.4964329016691877
Energy: 0.7248171657705785
Energy: 0.5483591245783496
Energy: 0.4958358580925773
Energy: 0.5066836134130347
Energy: 0.5183672445270664
Energy: 0.51345240750094
Energy: 0.6909631766132427
Energy: 0.4855915161951541
Energy: 0.4928538306842332
Energy: 0.4803148635787445
Energy: 0.5139682700894793
Energy: 0.511852715703952
Energy: 0.7364840169934218
Energy: 0.5005179663709323
Energy: 0.5048042090352921
Energy: 0.48661156731033156
Energy: 0.5120809791305012
Energy: 0.5422295114105803
Energy: 0.7354524692372332
Energy: 0.5317464489117004
Energy: 0.5320065384992662
Energy: 0.5373380619830466
Energy: 0.5329380468360987
Energy: 0.5411832787105729
Energy: 0.6911591958912614
Energy: 0.5271634865752272
Energy: 0.5302147742356769
Energy: 0.48941118936050476
Energy: 0.5280276980536469
Energy: 0.5016630974895409
Energy: 0.6140843953555237
Energy: 0.508371308960654
Energy: 0.5373248618779016
Energy: 0.5549616579514851
Energy: 0.5060887959969327
Energy: 0.5411442935910695
Energy: 0.6104859618035436
Energy: 0.5489699693172813
Energy: 0.5485600799572886
Energy: 0.5446213509803892
Energy: 0.515812002086363
Energy: 0.5488982320246972
Energy: 0.6201299346297939
Energy: 0.4979963025255867
Energy: 0.4981326761048635
Energy: 0.5167633590798889
Energy: 0.47026623657454675
Energy: 0.49827697590229963
Energy: 0.5703002867899744
Energy: 0.47181866590764504
Energy: 0.5333122734711283
Energy: 0.5568832584397849
Energy: 0.5038561173813738
Energy: 0.5358429010042691
Energy: 0.5697447053629273
Energy: 0.5309981122422502
Energy: 0.5306260481385365
Energy: 0.5635487025928249
Energy: 0.537167341230805
Energy: 0.5391501721604312
Energy: 0.5768368677119526
Energy: 0.5164215451900105
Energy: 0.5144596257193785
Energy: 0.5717460043709394
Energy: 0.5023100837991362
Energy: 0.5161621702737716
Energy: 0.6151077520354292
Energy: 0.5348125289259075
Energy: 0.5480074675000066
Energy: 0.5593164151833172
Energy: 0.5354499853459773
Energy: 0.5329102070797567
Energy: 0.6089039919672885
Energy: 0.5379960790313455
Energy: 0.5468893329181319
Energy: 0.5470571792676332
Energy: 0.5386389238732885
Energy: 0.5409641785841365
Energy: 0.6916521016213918
Energy: 0.5410928331239359
Energy: 0.5359471079525464
Energy: 0.5451906387743489
Energy: 0.5398143086737491
Energy: 0.5369294906163676
Energy: 0.6466317647265781
Energy: 0.5152007641515761
Energy: 0.5150405927214018
Energy: 0.500975504355046
Energy: 0.5149983340168109
Energy: 0.5282358067172648
Energy: 0.6479486757191403
Energy: 0.5518286923352876
Energy: 0.5468456237194297
Energy: 0.5075830517183044
Energy: 0.5542669578363743
Energy: 0.551616569790714
Energy: 0.7062319669300722
Energy: 0.5323541878445123
Energy: 0.5482601113724831
Energy: 0.5347322881624136
Energy: 0.5374448964530352
Energy: 0.5489803349686496
Energy: 0.7814777229434771
Energy: 0.5460825313254516
Energy: 0.4980712695874253
Energy: 0.4982814478696703
Energy: 0.5466002905615844
Energy: 0.4979700727104912
Energy: 0.6119767177025904
Energy: 0.5441770822214503
Energy: 0.5353394165454817
Energy: 0.4703152550667687
Energy: 0.555247708392312
Energy: 0.5336668583826022
Energy: 0.7111381241038476
Energy: 0.5259066791451069
Energy: 0.5265089447972245
Energy: 0.5424732108557256
Energy: 0.5618157476991735
Energy: 0.5446049695380715
Energy: 0.7248195023116413
Energy: 0.5597612030678365
Energy: 0.5600173046772898
Energy: 0.5144784548050535
Energy: 0.5682077636465651
Energy: 0.5233111113918546
Energy: 0.6952792569419631
Energy: 0.5314612893934998
Energy: 0.5375977786425251
Energy: 0.5382025712716019
Energy: 0.5437803045265995
Energy: 0.549881654868303
Energy: 0.7421016309502195
Energy: 0.5532937637565465
Energy: 0.5363315391374734
Energy: 0.5481976825081178
Energy: 0.5542231596464585
Energy: 0.537107339855899
Energy: 0.7354775918455694
Energy: 0.5448434860035656
Energy: 0.537777295730761
Energy: 0.5494760033607435
Energy: 0.5382952825734244
Energy: 0.550853785933564
Energy: 0.6925811650001639
Energy: 0.5060505207320389
Energy: 0.5284876311870617
Energy: 0.522157773391155
Energy: 0.5045770570773013
Energy: 0.5375404746441849
Energy: 0.6119349911837546
Energy: 0.5016430483646649
Energy: 0.5287334510915961
Energy: 0.531896222214231
Energy: 0.5055042280671834
Energy: 0.5473634167646959
Energy: 0.6156201127547064
Energy: 0.5353531846392245
Energy: 0.5481186929781103
Energy: 0.5250865364420993
Energy: 0.5314859253491601
Energy: 0.5440861757336952
Energy: 0.6672117108301329
Energy: 0.4758241553681504
Energy: 0.4853895238363497
Energy: 0.5550358048411007
Energy: 0.48667438838007104
Energy: 0.49824792260437734
Energy: 0.5736783558189877
Energy: 0.47350039614247574
Energy: 0.470960587995645
Energy: 0.5575700669073234
Energy: 0.4733098133764335
Energy: 0.5341515835616627
Energy: 0.5709971255261029
Energy: 0.5312501450504833
Energy: 0.5356634466708518
Energy: 0.5715228912776039
Energy: 0.5310283720153938
Energy: 0.5227106662128618
Energy: 0.5732721433157069
Energy: 0.5130145204202964
Energy: 0.5124177503280931
Energy: 0.572673273685901
Energy: 0.5160729633226079
Energy: 0.5125303720158295
Energy: 0.6074319371336493
Energy: 0.5320412014199621
Energy: 0.5338315210182724
Energy: 0.5111416978315785
Energy: 0.5438045263040364
Energy: 0.5325316192077033
Energy: 0.6074102310700691
Energy: 0.49214658765706576
Energy: 0.5354710109958583
Energy: 0.5539614548633134
Energy: 0.5461573505745311
Energy: 0.5395161579919597
Energy: 0.6076060536524543
Energy: 0.4960516137039543
Energy: 0.5011588356848625
Energy: 0.5029241982243252
Energy: 0.5012465645382193
Energy: 0.5034914767949785
Energy: 0.6395595868907837
Energy: 0.49002841607794334
Energy: 0.506175934771172
Energy: 0.5065336433242891
Energy: 0.48861878299616157
Energy: 0.505582235523341
Energy: 0.6452400408059602
Energy: 0.4894677137286239
Energy: 0.49706301680570775
Energy: 0.5008923213467575
Energy: 0.5011405738091105
Energy: 0.5287986729388782
Energy: 0.6908254773055353
Energy: 0.5024659365467522
Energy: 0.5029720194033448
Energy: 0.47271043945374863
Energy: 0.5164262125511986
Energy: 0.4932406483338946
Energy: 0.8131753634480879
Energy: 0.5119791773719319
Energy: 0.4854363748525114
Energy: 0.4702900553077931
Energy: 0.4986333627372961
Energy: 0.5023464099466801

minimum gb energy = 0.47026623657454675 eV
minimum distance =  2.60568627487731 Angstroms
sigma value = 51


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

Energy: 0.8270110414931685
Energy: 0.5184386986386791
Energy: 0.48926211965866495
Energy: 0.4924539235574771
Energy: 0.5183865383681281
Energy: 0.5531180614287261
Energy: 0.628331489843964
Energy: 0.49106359507196273
Energy: 0.49066183149017245
Energy: 0.4749525012434509
Energy: 0.5158157233048707
Energy: 0.49065811552369987
Energy: 0.7216033746362398
Energy: 0.5063976189596161
Energy: 0.4980208309685387
Energy: 0.491098700677473
Energy: 0.5187925175260044
Energy: 0.506695287644729
Energy: 0.719915385878179
Energy: 0.5072788481798706
Energy: 0.5117388653682329
Energy: 0.46675463517497096
Energy: 0.5045445248100116
Energy: 0.5005665064891335
Energy: 0.6284621492936795
Energy: 0.47443851672757753
Energy: 0.4740754723750558
Energy: 0.47469649437047967
Energy: 0.5208673868083697
Energy: 0.5193683973546322
Energy: 0.6281530300213723
Energy: 0.5173547971020181
Energy: 0.5169009113876691
Energy: 0.5192371601410513
Energy: 0.4742653439029125
Energy: 0.5163345076987225
Energy: 0.6308568612891832
Energy: 0.47459023292097946
Energy: 0.47433267406288376
Energy: 0.5196718180003939
Energy: 0.47463130957099403
Energy: 0.4745986097507653
Energy: 0.6201301174446958
Energy: 0.4825954254315369
Energy: 0.4837570123376564
Energy: 0.5041890636972436
Energy: 0.4694495169308427
Energy: 0.48595228009349667
Energy: 0.5413698248746747
Energy: 0.5079336287102257
Energy: 0.5080966967469156
Energy: 0.5181782605640299
Energy: 0.4940996888803665
Energy: 0.5176460443343536
Energy: 0.5415197765058833
Energy: 0.47496916940365247
Energy: 0.4908158261468111
Energy: 0.5164550878307932
Energy: 0.4743762639213993
Energy: 0.5040612210673368
Energy: 0.5413593825256484
Energy: 0.4840727052988319
Energy: 0.4841550454987413
Energy: 0.5419040481777075
Energy: 0.48447405109815683
Energy: 0.48383882908241926
Energy: 0.5655422218365591
Energy: 0.4750422397044205
Energy: 0.47451208828753544
Energy: 0.5062565953057188
Energy: 0.5003952415247513
Energy: 0.5040067322234809
Energy: 0.5645711505253214
Energy: 0.5079845153969865
Energy: 0.5076572610041244
Energy: 0.5221068720747686
Energy: 0.492874571530361
Energy: 0.5139462948652207
Energy: 0.5657473958796451
Energy: 0.4851267068364164
Energy: 0.4861043596450571
Energy: 0.5066228847423022
Energy: 0.4698996128988781
Energy: 0.4861509263664449
Energy: 0.6697203173034407
Energy: 0.4927777545424053
Energy: 0.5082191119165426
Energy: 0.5129848735491211
Energy: 0.49192693516451946
Energy: 0.5082283736359617
Energy: 0.6681201973176419
Energy: 0.506980876187933
Energy: 0.5018190660128752
Energy: 0.4826363147398388
Energy: 0.5195780529615497
Energy: 0.48532763464281486
Energy: 0.6726114243823212
Energy: 0.50535531557679
Energy: 0.49015615733776724
Energy: 0.5076900812313618
Energy: 0.5264446565518781
Energy: 0.49086096507079274
Energy: 0.7729919194133898
Energy: 0.5097446292108266
Energy: 0.4947080350204932
Energy: 0.506257946147458
Energy: 0.49129773057809556
Energy: 0.5043295568405205

minimum gb energy = 0.46675463517497096 eV
minimum distance =  2.64379486747454 Angstroms
sigma value = 19


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

Energy: 0.6858497219073086
Energy: 0.5060745957177015
Energy: 0.5470810083753471
Energy: 0.5481736035001702
Energy: 0.5063025692899435
Energy: 0.5072960841855455
Energy: 0.597316825267507
Energy: 0.5048345973145217
Energy: 0.5044711185487187
Energy: 0.5212571241459273
Energy: 0.5050134901606469
Energy: 0.5048919200957883
Energy: 0.5966380899593242
Energy: 0.5048049844773633
Energy: 0.5045871327693253
Energy: 0.5216670264519737
Energy: 0.5049191336091708
Energy: 0.50481597996223
Energy: 0.5910039826383306
Energy: 0.5042876309626779
Energy: 0.504415581613195
Energy: 0.501182901636871
Energy: 0.5044396246892966
Energy: 0.5054492682660218
Energy: 0.5971429415775622
Energy: 0.504978821746899
Energy: 0.5215608399165796
Energy: 0.5224679173652249
Energy: 0.5055980905593377
Energy: 0.5208761356388972
Energy: 0.5966395945524386
Energy: 0.4869532367761673
Energy: 0.5213115301511144
Energy: 0.5216841310177448
Energy: 0.4868419096467909
Energy: 0.5217434769043817
Energy: 0.5971889025733439
Energy: 0.5221244336658368
Energy: 0.5215030358147025
Energy: 0.5214195766362558
Energy: 0.4961593225918992
Energy: 0.5216301231434438
Energy: 0.5666793176767344
Energy: 0.4792807606177951
Energy: 0.47936446447404224
Energy: 0.5060247936015541
Energy: 0.4801241534298434
Energy: 0.47956544880320395
Energy: 0.5048279264312616
Energy: 0.4792862678124653
Energy: 0.4796277334464378
Energy: 0.5049770440801803
Energy: 0.47997741727826776
Energy: 0.47945044771220835
Energy: 0.505048364251412
Energy: 0.5037369843580839
Energy: 0.5053685499701965
Energy: 0.5050040912035012
Energy: 0.5227778290225495
Energy: 0.5045618049768815
Energy: 0.5038659149627245
Energy: 0.5017911956150501
Energy: 0.5026794533165628
Energy: 0.5040884020747547
Energy: 0.502090559708958
Energy: 0.5063120061272744
Energy: 0.5970953851227929
Energy: 0.5218321184939141
Energy: 0.5212540899613821
Energy: 0.5047887309330666
Energy: 0.5185663505033795
Energy: 0.5048943442484094
Energy: 0.49070075416491366
Energy: 0.5215180332982056
Energy: 0.5214747009429216
Energy: 0.4873440264188684
Energy: 0.5215413950468445
Energy: 0.5212677895521639
Energy: 0.5975167524814061
Energy: 0.5226405644855343
Energy: 0.522534357526891
Energy: 0.5044551383632719
Energy: 0.5221484308985274
Energy: 0.5219502240337637
Energy: 0.6956835264050499
Energy: 0.5051639706423222
Energy: 0.5057208963158797
Energy: 0.48014414736685784
Energy: 0.5048126872960325
Energy: 0.47974698062903914
Energy: 0.6901500297577702
Energy: 0.5199849211292917
Energy: 0.4795822508655782
Energy: 0.47935459264156144
Energy: 0.5051694421725454
Energy: 0.4795905214295266
Energy: 0.5970103309507515
Energy: 0.5050286621813127
Energy: 0.504682562666798
Energy: 0.5218951169371974
Energy: 0.5047150368067989
Energy: 0.5046331147908336
Energy: 0.5945343370309615
Energy: 0.5053836288078591
Energy: 0.5047983842825742
Energy: 0.5010354223369672
Energy: 0.5051415984961632
Energy: 0.5051496404000061
Energy: 0.5921009397814476
Energy: 0.504785592474278
Energy: 0.5048156743864323
Energy: 0.5012161745512724
Energy: 0.5046196520387184
Energy: 0.5046514243478623
Energy: 0.597368094875018
Energy: 0.4867970630273784
Energy: 0.5174096734376029
Energy: 0.5214204065023735
Energy: 0.48685742577681296
Energy: 0.5199547743799053
Energy: 0.5911651745273326
Energy: 0.5211699690341248
Energy: 0.5218335671655606
Energy: 0.5222560826113344
Energy: 0.504879993294777
Energy: 0.5224801364693585
Energy: 0.5971127540376485
Energy: 0.4969893990793629
Energy: 0.521519315987738
Energy: 0.5212216533079588
Energy: 0.496174668569487
Energy: 0.5214019010189817
Energy: 0.566619423560045
Energy: 0.4814095713043379
Energy: 0.4812518856933283
Energy: 0.5667171938091772
Energy: 0.48156391656971026
Energy: 0.48403701938157784
Energy: 0.5049866079641413
Energy: 0.5213564743692973
Energy: 0.5058650451351423
Energy: 0.5049212915604647
Energy: 0.5063868341366939
Energy: 0.504632068677422
Energy: 0.5048407105138815
Energy: 0.5052753429348881
Energy: 0.506031381834542
Energy: 0.5049111955711395
Energy: 0.5219110658308804
Energy: 0.5045343167807612
Energy: 0.567612740263155
Energy: 0.5013192468190587
Energy: 0.5039142128088014
Energy: 0.5662279432434689
Energy: 0.5011829077122252
Energy: 0.5044989065898051
Energy: 0.5974956777912774
Energy: 0.5228067550672019
Energy: 0.5212905159010235
Energy: 0.5059080828687842
Energy: 0.51869635346168
Energy: 0.5212357534880318
Energy: 0.4908165087541047
Energy: 0.522661269265024
Energy: 0.5166005393383696
Energy: 0.48695072507827925
Energy: 0.522236770333797
Energy: 0.5213907782355731
Energy: 0.5662609029424799
Energy: 0.5223032992863471
Energy: 0.5173664103279058
Energy: 0.49660474421600376
Energy: 0.5217815001228455
Energy: 0.5214803287138493
Energy: 0.6911941121323779
Energy: 0.5066049040448602
Energy: 0.4789499017013352
Energy: 0.47979681355862813
Energy: 0.5058726058660932
Energy: 0.47961745466174965

minimum gb energy = 0.4789499017013352 eV
minimum distance =  2.71477631458558 Angstroms
sigma value = 27


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

Energy: 0.5891049520493981
Energy: 0.5017660073455971
Energy: 0.579619691408496
Energy: 0.4789515140794146
Energy: 0.5019404142675339
Energy: 0.5793169983445613
Energy: 0.5835391145346319
Energy: 0.49282223616099924
Energy: 0.4569151108333591
Energy: 0.44839056244342906
Energy: 0.4972524393967989
Energy: 0.4190606412623237
Energy: 0.5357484819378756
Energy: 0.49104765517678267
Energy: 0.448682670445649
Energy: 0.41975478305278136
Energy: 0.49551544783028906
Energy: 0.4192585756705103
Energy: 0.5365672215628464
Energy: 0.41939621502997554
Energy: 0.41858093273370256
Energy: 0.4519537588228119
Energy: 0.45909817677458015
Energy: 0.4184489213538525
Energy: 0.5840349326780797
Energy: 0.4229078775202106
Energy: 0.4195531712714247
Energy: 0.4612804648676657
Energy: 0.42750089929619733
Energy: 0.41945413581540486
Energy: 0.498513672374295
Energy: 0.39941583723111357
Energy: 0.4237452925116107
Energy: 0.49014220704962064
Energy: 0.42441338950177443
Energy: 0.3971135816968057
Energy: 0.5013485416705101
Energy: 0.4462259799220876
Energy: 0.44183417322180146
Energy: 0.4980930531767514
Energy: 0.4466128239078232
Energy: 0.4474440324247379
Energy: 0.5007277635478453
Energy: 0.4449358110002009
Energy: 0.44339040974290683
Energy: 0.5001112881030356
Energy: 0.44601827407366795
Energy: 0.44513166002672355
Energy: 0.5343826542576052
Energy: 0.41854740532728973
Energy: 0.4448429919867024
Energy: 0.4989070074694913
Energy: 0.44431313089346136
Energy: 0.41979038406369684
Energy: 0.5367158330178462
Energy: 0.4487884413049421
Energy: 0.44658735498114327
Energy: 0.4844461885890866
Energy: 0.45268794529871276
Energy: 0.4465713329346817
Energy: 0.5353871806228557
Energy: 0.48509007401993176
Energy: 0.4843085318255203
Energy: 0.4476399634254908
Energy: 0.4858067479629269
Energy: 0.4477733263833384
Energy: 0.5350201729734273
Energy: 0.44772833427628456
Energy: 0.45693411139934637
Energy: 0.44934069596993775
Energy: 0.44770625695011973
Energy: 0.41897888840742453

minimum gb energy = 0.3971135816968057 eV
minimum distance =  2.7354937521894 Angstroms
sigma value = 9


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

Energy: 0.9702286318577035
Energy: 0.3963074541334068
Energy: 0.4369776317609382
Energy: 0.4090502136669102
Energy: 0.41028194602689383
Energy: 0.43678454976885484
Energy: 0.4779943393474104
Energy: 0.395942628968566
Energy: 0.3830716652666361
Energy: 0.4039883222647496
Energy: 0.424597595010241
Energy: 0.40383455160358567
Energy: 0.4539326341399207
Energy: 0.41778533838696913
Energy: 0.4158643929927925
Energy: 0.41810992010314924
Energy: 0.4305887751590866
Energy: 0.41388958011667737
Energy: 0.45599089823014527
Energy: 0.3852892353983345
Energy: 0.3850934647986175
Energy: 0.41763497210104006
Energy: 0.39972143764932766
Energy: 0.3852845838953931
Energy: 0.47286029800446344
Energy: 0.39973954785709215
Energy: 0.3757707729682838
Energy: 0.4228831600148241
Energy: 0.39913508010470755
Energy: 0.40832494633755834
Energy: 0.42906704786848404
Energy: 0.38213317248116935
Energy: 0.4047916287546678
Energy: 0.42872654980359537
Energy: 0.41082874346644666
Energy: 0.41007187955326696
Energy: 0.4291185272290301
Energy: 0.39046742290959163
Energy: 0.38502600066672793
Energy: 0.4298551831117574
Energy: 0.38734731432137975
Energy: 0.4086120404453719
Energy: 0.42973159462390653
Energy: 0.40476768811378827
Energy: 0.39870367665526435
Energy: 0.429866205927831
Energy: 0.4168705419840441
Energy: 0.40720060044950435
Energy: 0.4314345859902218
Energy: 0.40626224384208826
Energy: 0.40275478970619505
Energy: 0.42439195578289957
Energy: 0.419578079281356
Energy: 0.4072209655433148
Energy: 0.4257459231374121
Energy: 0.38840724518736286
Energy: 0.3853437793496143
Energy: 0.4098286990966195
Energy: 0.39735413991339474
Energy: 0.38107954572884645
Energy: 0.4205001609531883
Energy: 0.42618904779534894
Energy: 0.423708918146309
Energy: 0.41208404610506694
Energy: 0.42881740818441816
Energy: 0.40804284439266825
Energy: 0.43214911098191466
Energy: 0.41349017812769573
Energy: 0.3974306309414029
Energy: 0.39795451038587965
Energy: 0.4294015589558577
Energy: 0.3848030704482215
Energy: 0.5949810801975653
Energy: 0.4131695288907303
Energy: 0.38512534815650173
Energy: 0.3986515842819973
Energy: 0.41192380019385794
Energy: 0.40779195412766833
Energy: 0.4873186880156058
Energy: 0.41046268759212134
Energy: 0.4083719712862034
Energy: 0.39754938175168075
Energy: 0.4078650717036335
Energy: 0.3854679370107535
Energy: 0.43297608295390727
Energy: 0.41185374321374524
Energy: 0.41201265195368
Energy: 0.42506200632845254
Energy: 0.41365624665518524
Energy: 0.40771991075554154
Energy: 0.42997546213899884
Energy: 0.4075854760390902
Energy: 0.41843106495327476
Energy: 0.43033196262484796
Energy: 0.41730215869900983
Energy: 0.4114059667051848
Energy: 0.4295167509061878
Energy: 0.38528752583944914
Energy: 0.3829591135024937
Energy: 0.4285620612087859
Energy: 0.39441509844046424
Energy: 0.40664606854662855
Energy: 0.4723849141820647
Energy: 0.39726913069490116
Energy: 0.4070033628097854
Energy: 0.4140076789943234
Energy: 0.4029113630621092
Energy: 0.38667749807152674
Energy: 0.45342634303620344
Energy: 0.4025678574752625
Energy: 0.40399142556571244
Energy: 0.42464025973172437
Energy: 0.4019943777586356
Energy: 0.4093608156724532
Energy: 0.4535562291511738
Energy: 0.4037327162631712
Energy: 0.4071861725408314
Energy: 0.41901340865009434
Energy: 0.41986713070692466
Energy: 0.40979903163049325
Energy: 0.4537974355978434
Energy: 0.40687857788759374
Energy: 0.40433987703433283
Energy: 0.41257032433965635
Energy: 0.4170689570929759
Energy: 0.4110455300581972
Energy: 0.47338403583293165
Energy: 0.3984524898731651
Energy: 0.39969640454070143
Energy: 0.3999056794403024
Energy: 0.41704266664803363
Energy: 0.3964599253645375
Energy: 0.4711881275787504
Energy: 0.3952436590804669
Energy: 0.4063665416836778
Energy: 0.3996255169873473
Energy: 0.42503264865937757
Energy: 0.38735422357669436
Energy: 0.45411503314825785
Energy: 0.39034037496779395
Energy: 0.40780108202237225
Energy: 0.401221477967644
Energy: 0.431361509238202
Energy: 0.41276896401883933
Energy: 0.6025232232613256
Energy: 0.3908717115048982
Energy: 0.5026091844691529
Energy: 0.40768283420573986
Energy: 0.40045283907332063
Energy: 0.4087113630475947
Energy: 0.45362312976260327
Energy: 0.38575738351336214
Energy: 0.3823608763355542
Energy: 0.4251393627890215
Energy: 0.398434362550539
Energy: 0.40763452474040934
Energy: 0.4008261565430929
Energy: 0.38251945906668017
Energy: 0.38270360140805953
Energy: 0.401093030847666
Energy: 0.4060816915379941
Energy: 0.41553535488360405
Energy: 0.43400791520429594
Energy: 0.38529046536538214
Energy: 0.3855835491481969
Energy: 0.42889379914952486
Energy: 0.3993238805210186
Energy: 0.383113998041728
Energy: 0.4289383468940822
Energy: 0.3982513898370451
Energy: 0.4065860809528146
Energy: 0.4289837379933098
Energy: 0.4096228058887378
Energy: 0.4084857882377572
Energy: 0.4319421739226314
Energy: 0.40426322214161337
Energy: 0.4056371512688435
Energy: 0.42185218053919116
Energy: 0.4166091064153532
Energy: 0.3854727973746828
Energy: 0.42063821379054345
Energy: 0.38644792716970877
Energy: 0.40624336903263764
Energy: 0.4113346639126158
Energy: 0.4058199017244987
Energy: 0.4057380037401796
Energy: 0.42398744270966093
Energy: 0.40647409540574897
Energy: 0.4054041348813514
Energy: 0.40964199904755455
Energy: 0.42901701069662085
Energy: 0.3812340316667987
Energy: 0.44965534519669825
Energy: 0.413359938216241
Energy: 0.42949542424939036
Energy: 0.40885159872852417
Energy: 0.43070406513103676
Energy: 0.3854739233502377
Energy: 0.44966599513597083
Energy: 0.4288385296966154
Energy: 0.4060378416983191
Energy: 0.4063814305101918
Energy: 0.4283958018236365
Energy: 0.3848097539900062
Energy: 0.44628167062119495
Energy: 0.3991735960023433
Energy: 0.40975316334726103
Energy: 0.4092391516216816
Energy: 0.42322225557204457
Energy: 0.40806816672785073
Energy: 0.44824525862331194
Energy: 0.4121898778845644
Energy: 0.4034667866417096
Energy: 0.4200411865038971
Energy: 0.4137409656650907
Energy: 0.3895002156244677
Energy: 0.4307142309747192
Energy: 0.41824292291057097
Energy: 0.422065213232916
Energy: 0.430746064457385
Energy: 0.4157463206478618
Energy: 0.39092782757118294
Energy: 0.4297437547503798
Energy: 0.40299431561006416
Energy: 0.40319313672418383
Energy: 0.42884869010518056
Energy: 0.4026286105803305
Energy: 0.41076545036812173
Energy: 0.44425484407140536
Energy: 0.3866418932417118
Energy: 0.38565919031000867
Energy: 0.4534481082305157
Energy: 0.4084661282843865
Energy: 0.43189674569161407
Energy: 0.45379308023310166
Energy: 0.4026137164078586
Energy: 0.4031753311211945
Energy: 0.4243782811343143
Energy: 0.40336323343206654
Energy: 0.4035768703321388
Energy: 0.45149545613282666
Energy: 0.4123526437232324
Energy: 0.4073547086100906
Energy: 0.4177644864149228
Energy: 0.4040235885140379
Energy: 0.40622553990195637
Energy: 0.45348390558660395
Energy: 0.4207254972085019
Energy: 0.4083715684265031
Energy: 0.40882868389070365
Energy: 0.42062722563344085
Energy: 0.40512394011572206
Energy: 0.4712164888534611
Energy: 0.3952155485862869
Energy: 0.4086364402133338
Energy: 0.4048764189419988
Energy: 0.42590582506880315
Energy: 0.3872830373869013

minimum gb energy = 0.3757707729682838 eV
minimum distance =  2.69109722303292 Angstroms
sigma value = 57


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

Energy: 0.1962413516522093
Energy: 0.22382370732951992
Energy: 0.22007880395390075
Energy: 0.1975246412187863
Energy: 0.22437905783641
Energy: 0.19777969852046992
Energy: 0.2444213818952167
Energy: 0.21018871231843794
Energy: 0.21468067951628406
Energy: 0.22077838880180414
Energy: 0.2247880915089161
Energy: 0.21484750699906255
Energy: 0.24676694908273872
Energy: 0.2288332276240463
Energy: 0.2118101639373267
Energy: 0.22280872898998658
Energy: 0.2228551946559272
Energy: 0.21508632342364883
Energy: 0.24686577080068206
Energy: 0.22755647698432918
Energy: 0.21128173293287078
Energy: 0.22596648595484847
Energy: 0.22486721671426838
Energy: 0.21277958543509481
Energy: 0.2442379829721552
Energy: 0.19961304507731029
Energy: 0.21060909126548227
Energy: 0.22661787331796931
Energy: 0.19778283506837496
Energy: 0.2217062582228252
Energy: 0.2224837947930199
Energy: 0.198399056388931
Energy: 0.1989296092592368
Energy: 0.2085184936095484
Energy: 0.20128455845847495
Energy: 0.21054904594999216
Energy: 0.21917831876749452
Energy: 0.21025753388039595
Energy: 0.21487927141130042
Energy: 0.22003808472380645
Energy: 0.20749466657901272
Energy: 0.21589755834678423
Energy: 0.22240134841699777
Energy: 0.2122210483043409
Energy: 0.22638734741035843
Energy: 0.22245870523864442
Energy: 0.20956423922784664
Energy: 0.21149147788553396
Energy: 0.24397650351548547
Energy: 0.21059531518037175
Energy: 0.2171137301457543
Energy: 0.22292695020845046
Energy: 0.22256988622700485
Energy: 0.21220508199522245
Energy: 0.20098807181167888
Energy: 0.21815293229422308
Energy: 0.19973838928529253
Energy: 0.201331196327023
Energy: 0.22241171767902443
Energy: 0.21022139631860487
Energy: 0.19694422168049036
Energy: 0.21071464949386157
Energy: 0.217883003465962
Energy: 0.19731747053811913
Energy: 0.20783743563939072
Energy: 0.19934048884752903
Energy: 0.24532463171652458
Energy: 0.22665572696926656
Energy: 0.21566084831076193
Energy: 0.2212911774526925
Energy: 0.22207539246025482
Energy: 0.21569572916721574
Energy: 0.2464782223977927
Energy: 0.24984095460762018
Energy: 0.22834942543381093
Energy: 0.21010431699164336
Energy: 0.24693393631679095
Energy: 0.22731309737118807
Energy: 0.24458134315331623
Energy: 0.22582596245742986
Energy: 0.21765300604373067
Energy: 0.2222404339414019
Energy: 0.22205783477370433
Energy: 0.2212468441306879
Energy: 0.24689553794611768
Energy: 0.20348459048447107
Energy: 0.19805987146106008
Energy: 0.223441204933303
Energy: 0.19921579199636963
Energy: 0.19799231190392158
Energy: 0.22092182047235076
Energy: 0.2124597546030895
Energy: 0.2151301522778964
Energy: 0.2217405958660004
Energy: 0.19744235372710475
Energy: 0.21762088293656306
Energy: 0.22247378065080553
Energy: 0.20513387589585735
Energy: 0.21991289307908846
Energy: 0.22280664623526264
Energy: 0.22432512054766413
Energy: 0.21337406810268894
Energy: 0.24752130407884115
Energy: 0.21157985876091306
Energy: 0.22560666336226415
Energy: 0.24814102565093302
Energy: 0.20993468564473006
Energy: 0.21139047710299544
Energy: 0.19698566240394277
Energy: 0.21092343087864981
Energy: 0.21863516058372162
Energy: 0.19744899612136185
Energy: 0.2104260658053335
Energy: 0.22163232166432825

minimum gb energy = 0.1962413516522093 eV
minimum distance =  2.73919053538818 Angstroms
sigma value = 11


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

Energy: 0.7928488510003262
Energy: 0.33900358079537796
Energy: 0.4013702357603075
Energy: 0.35645325363779934
Energy: 0.32877693766352023
Energy: 0.3981596230016852
Energy: 0.32806502889702077
Energy: 0.32855661471502895
Energy: 0.33036403738708575
Energy: 0.325036889762812
Energy: 0.3259765415438858
Energy: 0.32377917544324825
Energy: 0.3280955066869302
Energy: 0.3336841391648379
Energy: 0.32880501950775126
Energy: 0.327822858439125
Energy: 0.3333777497671516
Energy: 0.32501220055581126
Energy: 0.3287679236240576
Energy: 0.3398168661832984
Energy: 0.32339562965445345
Energy: 0.3286588110402941
Energy: 0.32605677440583264
Energy: 0.3294032473303864
Energy: 0.3264815769459901
Energy: 0.3901993164440443
Energy: 0.3627035228524644
Energy: 0.336600097006947
Energy: 0.33159148743385836
Energy: 0.32985259063547734
Energy: 0.3499019242883846
Energy: 0.3646806343256979
Energy: 0.36816198026278685
Energy: 0.33391675199008963
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Energy: 0.32535635535748614
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Energy: 0.33775772655727393
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Energy: 0.3387778845523582
Energy: 0.3388184551380655
Energy: 0.3534002652980827
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Energy: 0.325434608147736
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Energy: 0.3547386164985826
Energy: 0.3633271846412225
Energy: 0.3311223719820875
Energy: 0.368583074908802
Energy: 0.3675809455580893
Energy: 0.3718258603909943
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Energy: 0.3554487639271195
Energy: 0.3269257938244214
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Energy: 0.3900721135152664
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Energy: 0.31892686932371583
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Energy: 0.39930765073011437
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Energy: 0.3928332389184492
Energy: 0.38786473792141946
Energy: 0.40006804218103614
Energy: 0.33217741114294497
Energy: 0.353568708386029
Energy: 0.37390269794409503
Energy: 0.3234610050427836
Energy: 0.3328570960627372
Energy: 0.5043237791204425
Energy: 0.3897614597356239
Energy: 0.38814910481393644
Energy: 0.35474356762169384
Energy: 0.3941377477702159
Energy: 0.38844441888745
Energy: 0.550719658161685
Energy: 0.3653578041233517
Energy: 0.3262777794196594
Energy: 0.4673464518293131
Energy: 0.37964729678243164
Energy: 0.34433804912097044
Energy: 0.37851116801887724
Energy: 0.3549601554031036
Energy: 0.3893446790962377
Energy: 0.342931115529225
Energy: 0.36293467344739383
Energy: 0.388737446039279
Energy: 0.37639355216739145
Energy: 0.32821591930984306
Energy: 0.368690539007624
Energy: 0.3341545359880014
Energy: 0.33496819843671566
Energy: 0.3671770081902631
Energy: 0.4469517260705515
Energy: 0.41196135402498674
Energy: 0.3347220101528887
Energy: 0.42503091689226535
Energy: 0.33679103809854793
Energy: 0.33208136840136226
Energy: 0.5045131440413069
Energy: 0.364688627118814
Energy: 0.3574868919215051
Energy: 0.3693659548821589
Energy: 0.38991550039734735
Energy: 0.3560465186220937
Energy: 0.46105606137600313
Energy: 0.3372841124362434
Energy: 0.3466529353154281
Energy: 0.5033361648680639
Energy: 0.34076007420424415
Energy: 0.39320267728916325
Energy: 0.3248234972747108
Energy: 0.3655583602394115
Energy: 0.3580783303358167
Energy: 0.32536134497174285
Energy: 0.36340104204880364
Energy: 0.35663013066518773
Energy: 0.3238211125177395
Energy: 0.32859955943629937
Energy: 0.3252782029248547
Energy: 0.32415862892253405
Energy: 0.3291079724213436
Energy: 0.3295481563165559
Energy: 0.39056477597562633
Energy: 0.3283571411820601
Energy: 0.33047383160341215
Energy: 0.3287067047132244
Energy: 0.3272771625346119
Energy: 0.3283880341838872
Energy: 0.37263173113312253
Energy: 0.32581239901355785
Energy: 0.3287266562181465
Energy: 0.3231575575028237
Energy: 0.3245649787980733
Energy: 0.36400718810780114

minimum gb energy = 0.31174889055126265 eV
minimum distance =  2.67565871402474 Angstroms
sigma value = 41


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

Energy: 0.7400053528171944
Energy: 0.3665611035708822
Energy: 0.34643941834692993
Energy: 0.4115971051071098
Energy: 0.3842797152138875
Energy: 0.411535454901329
Energy: 0.3479978371219085
Energy: 0.3544749590560065
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Energy: 0.34646680994336265
Energy: 0.34821189349065623
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Energy: 0.3460770038466125
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Energy: 0.34964742144738675
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Energy: 0.3488596817343043
Energy: 0.34527593463828793
Energy: 0.34739248413203133
Energy: 0.34894916584488167
Energy: 0.34971528314487577
Energy: 0.3489765553943429
Energy: 0.3476599321683045
Energy: 0.34687557858027335
Energy: 0.3460258907483097
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Energy: 0.3471726786216625
Energy: 0.39299856489387325
Energy: 0.3479364445412518
Energy: 0.3474611278985889
Energy: 0.3623094973141771
Energy: 0.3516450839103002
Energy: 0.3533858126961931
Energy: 0.39160200331539813
Energy: 0.3495612220766942
Energy: 0.34841336702802056
Energy: 0.3492806953150398
Energy: 0.36031291199238047
Energy: 0.3482484589993298
Energy: 0.3633156474067931
Energy: 0.37306245648882463
Energy: 0.3719366027756174
Energy: 0.33108768474384676
Energy: 0.37568630804594233
Energy: 0.34795698464870956
Energy: 0.3924811446253428
Energy: 0.3481591610554693
Energy: 0.3470995875839164
Energy: 0.36182183816332847
Energy: 0.34952490062745367
Energy: 0.34666264742127423
Energy: 0.5243196541421855
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Energy: 0.3468298705784711
Energy: 0.4527536040352678
Energy: 0.36411832970952723
Energy: 0.3478511701129766
Energy: 0.3926613725110465
Energy: 0.35243766252410397
Energy: 0.3467184340805856
Energy: 0.3509914326449728
Energy: 0.36092842113139545
Energy: 0.3460352465077285
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Energy: 0.33278550459793954
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Energy: 0.3632381217050528
Energy: 0.3329557863156756
Energy: 0.34687303993008645
Energy: 0.3503407168851729
Energy: 0.3317477085559889
Energy: 0.3315509298331816
Energy: 0.36356108199651027
Energy: 0.3326637363879265
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Energy: 0.35108286364586094
Energy: 0.35178134905545383
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Energy: 0.3504366454702588
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Energy: 0.3759664199857325
Energy: 0.36462331861971115
Energy: 0.3663237933694147
Energy: 0.3762444712762182
Energy: 0.3469895055858866
Energy: 0.3725582742663762
Energy: 0.3486124950372906
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Energy: 0.3477362562857895
Energy: 0.3603835977994831
Energy: 0.34908812774704073
Energy: 0.34795493841517566
Energy: 0.6841022797498976
Energy: 0.34857893443018995
Energy: 0.3323203629498934
Energy: 0.36243289954354474
Energy: 0.349693829474599
Energy: 0.3625040979698969
Energy: 0.36375532996566984
Energy: 0.3506018918507281
Energy: 0.34994014693311415
Energy: 0.3503277676060751
Energy: 0.3601995410525628
Energy: 0.3327299621103258
Energy: 0.3496113223881146
Energy: 0.3506405703587062
Energy: 0.34797130120609254
Energy: 0.34956713765362685
Energy: 0.3496188698106516
Energy: 0.3476796063721352
Energy: 0.34739573088271647
Energy: 0.3458217868410129
Energy: 0.346567491449737
Energy: 0.3490698519842313
Energy: 0.35009120643337505
Energy: 0.3470487974965339
Energy: 0.3482091510156802
Energy: 0.34733099396945205
Energy: 0.3464522684016593
Energy: 0.3489604364651103
Energy: 0.3487509668989811
Energy: 0.3464146252776682
Energy: 0.3675994150220877
Energy: 0.36235516641830107
Energy: 0.3840041637756039
Energy: 0.4154502381085441
Energy: 0.3469552413508143
Energy: 0.3920432119512516
Energy: 0.3921927715189649
Energy: 0.3481020125747237
Energy: 0.3477334173621651
Energy: 0.3604355854531382
Energy: 0.3488524704620629
Energy: 0.3475249996338127
Energy: 0.3632755204533502
Energy: 0.37732499037185646
Energy: 0.35046406400146796
Energy: 0.3585118391912111
Energy: 0.37694451197161716
Energy: 0.3499062657608002
Energy: 0.39190444283667697
Energy: 0.34930302111976147
Energy: 0.3478922306290959
Energy: 0.3607103226090081
Energy: 0.34979907184144465
Energy: 0.34844454713739004
Energy: 0.5249590982145387
Energy: 0.35213889819489325
Energy: 0.3477720976997093
Energy: 0.3510949246163377
Energy: 0.36121774699022696
Energy: 0.3461631309419985
Energy: 0.5249955963686145
Energy: 0.3525020555889681
Energy: 0.3470795469935892
Energy: 0.3505784237988978
Energy: 0.36453458875593764
Energy: 0.3498544603508871
Energy: 0.39295818235039226
Energy: 0.35902835678247313
Energy: 0.35726914612170974
Energy: 0.3607151017007061
Energy: 0.3436672211308492
Energy: 0.3555004052577551
Energy: 0.3508319661487922
Energy: 0.3315001207993317
Energy: 0.33134956123207954
Energy: 0.36595817920470025
Energy: 0.33132254248468995
Energy: 0.36036730111370135
Energy: 0.350298381343723
Energy: 0.3528371115781816
Energy: 0.35136755656578716
Energy: 0.34823729276459275
Energy: 0.35279399967193836
Energy: 0.35173679880611064
Energy: 0.3497550449880271
Energy: 0.34662656524896496
Energy: 0.34526004302982755
Energy: 0.3496909564298934
Energy: 0.34715747385344736
Energy: 0.34779804994814645
Energy: 0.3492508799745927
Energy: 0.3500564945755994
Energy: 0.3461595237646683
Energy: 0.350242375058849
Energy: 0.3500205407392325
Energy: 0.3477571693653358
Energy: 0.6842155438656784
Energy: 0.3498840270965567
Energy: 0.3335811418568142
Energy: 0.33395131563208036
Energy: 0.35322246964150966
Energy: 0.3325100418809048

minimum gb energy = 0.33105943917404174 eV
minimum distance =  2.69757346341262 Angstroms
sigma value = 33


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

Energy: 0.4751876331324885
Energy: 0.451291570078628
Energy: 0.38253832387496
Energy: 0.3775132759520428
Energy: 0.45163643010668886
Energy: 0.3815108130466961
Energy: 0.3858668723535213
Energy: 0.372998731018327
Energy: 0.3722535424949386
Energy: 0.3838580843113285
Energy: 0.38267710922699644
Energy: 0.37349224761687083
Energy: 0.38552191055147395
Energy: 0.37403326034165246
Energy: 0.3741637848696576
Energy: 0.3741504743915561
Energy: 0.3738707531428795
Energy: 0.381044542217142
Energy: 0.3869146580755675
Energy: 0.3759233188563279
Energy: 0.3780068999980874
Energy: 0.3738870575721771
Energy: 0.3775393587641545
Energy: 0.3779001279318508
Energy: 0.3847095976898627
Energy: 0.3777343692519505
Energy: 0.36285323655051765
Energy: 0.38518811212293286
Energy: 0.38934786604778193
Energy: 0.3635911539241699
Energy: 0.40978075549384635
Energy: 0.3770585811870145
Energy: 0.3780564511391978
Energy: 0.3627173351947428
Energy: 0.3772219357471998
Energy: 0.3790025873268868
Energy: 0.41097236975290136
Energy: 0.3861946072879254
Energy: 0.3868408244794411
Energy: 0.38329724024231976
Energy: 0.4018778738437668
Energy: 0.37758564406496986
Energy: 0.4044179202893248
Energy: 0.3946937945105531
Energy: 0.37766350683147504
Energy: 0.36212680164936867
Energy: 0.394234609553011
Energy: 0.37840543664733894
Energy: 0.41031645785806586
Energy: 0.36279190759703756
Energy: 0.3631661404196964
Energy: 0.3983920535439549
Energy: 0.3647415771960072
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Energy: 0.4105871462572956
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Energy: 0.40949362408540807
Energy: 0.3745771308670865
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Energy: 0.3735110227526506
Energy: 0.3650131270162232
Energy: 0.37628988926723483
Energy: 0.42575902017531053
Energy: 0.3622276045554441
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Energy: 0.36194374785753375
Energy: 0.4206130397559026
Energy: 0.36250366181067123
Energy: 0.36259731569503517
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Energy: 0.39063950908076905
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Energy: 0.3755459011587186
Energy: 0.3871719091403505
Energy: 0.38507596893430895
Energy: 0.37583217191806706
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Energy: 0.37453027489130847
Energy: 0.37434968059704105
Energy: 0.37412990033927596
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Energy: 0.37405486069096283
Energy: 0.38667765132787285
Energy: 0.383355815962901
Energy: 0.3737347836989999
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Energy: 0.38452127525067537
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Energy: 0.630114735652641
Energy: 0.37677912319728557
Energy: 0.3747916777967902
Energy: 0.37692144080491335
Energy: 0.40841241033367115
Energy: 0.3804793489715278
Energy: 0.4134892612602947
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Energy: 0.363204283770787
Energy: 0.40266652020826166
Energy: 0.3652160128054778
Energy: 0.36299297090705773
Energy: 0.3859522159528586
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Energy: 0.3630445320145174
Energy: 0.3736726728974593
Energy: 0.364307822308248
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Energy: 0.36633788797424155
Energy: 0.3622749473802354
Energy: 0.3634831378125153
Energy: 0.3638798259523068
Energy: 0.3632114522629408
Energy: 0.3780001494214241
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Energy: 0.3653937920622979
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Energy: 0.36612302077400777
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Energy: 0.3798377162176877
Energy: 0.37910205231624633
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Energy: 0.38006364558069683
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Energy: 0.38436787122857397
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Energy: 0.3735091795069086
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Energy: 0.4091442219891752
Energy: 0.3701786773591109
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Energy: 0.36211777954097185
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Energy: 0.3951688850005743
Energy: 0.37273811459795253
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Energy: 0.38812890982494325
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Energy: 0.38816375723166846
Energy: 0.36236377144388193
Energy: 0.3621807237548203
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Energy: 0.36181115591399643
Energy: 0.36519729641200543
Energy: 0.36318056763702566
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Energy: 0.36574332026655976
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Energy: 0.3802154398836051
Energy: 0.3925383366622026
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Energy: 0.38713416528221817
Energy: 0.3737568219477712
Energy: 0.3755341308094053
Energy: 0.37735947667540926
Energy: 0.38324135561798506
Energy: 0.3761679055360989
Energy: 0.6341480006361866
Energy: 0.36516031075001104
Energy: 0.3623808758389384
Energy: 0.3629569382719734
Energy: 0.37021433452793256
Energy: 0.3619880851532697

minimum gb energy = 0.36181115591399643 eV
minimum distance =  2.70253126722722 Angstroms
sigma value = 67


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

Energy: 0.5623731872983598
Energy: 0.4235505155615516
Energy: 0.40749471641464147
Energy: 0.408079234710362
Energy: 0.4233189649586392
Energy: 0.40909034921001874
Energy: 0.419735746833407
Energy: 0.39474297972747485
Energy: 0.39485893782225356
Energy: 0.3945213844677758
Energy: 0.39560008407203573
Energy: 0.39448621473352674
Energy: 0.4147400340202359
Energy: 0.3827840905660276
Energy: 0.39556150001906726
Energy: 0.3954125131220332
Energy: 0.38106594332458965
Energy: 0.3953779158507359
Energy: 0.41492117225700426
Energy: 0.39530705533337446
Energy: 0.39537956489049036
Energy: 0.39401278317667066
Energy: 0.3954561926939205
Energy: 0.39540594789682787
Energy: 0.4179051992036812
Energy: 0.395344637392981
Energy: 0.3962863520748584
Energy: 0.4180140854638137
Energy: 0.3953191379424152
Energy: 0.3966331347197808
Energy: 0.418860099914064
Energy: 0.3974251556041426
Energy: 0.3974115177779137
Energy: 0.41917307240545565
Energy: 0.39762132885676754
Energy: 0.397692853481905
Energy: 0.4438450655373101
Energy: 0.39552321729445855
Energy: 0.39462157835630024
Energy: 0.3781515838535443
Energy: 0.39518919728820984
Energy: 0.3944185740421627

minimum gb energy = 0.3781515838535443 eV
minimum distance =  2.7443243081717 Angstroms
sigma value = 3


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

Energy: 0.6324262435156307
Energy: 0.5035165971680353
Energy: 0.4560902673642191
Energy: 0.49179779875185464
Energy: 0.5133361966075644
Energy: 0.4714220012019527
Energy: 0.48488518556848437
Energy: 0.464930647082569
Energy: 0.4641785114504781
Energy: 0.46689603239832617
Energy: 0.46774561438574325
Energy: 0.4586627317348916
Energy: 0.49399317162863304
Energy: 0.4746548136874405
Energy: 0.4746285553829376
Energy: 0.45557116981226414
Energy: 0.4744243038030785
Energy: 0.45565763419929967
Energy: 0.48668667123510156
Energy: 0.4557700037642804
Energy: 0.45723123066022625
Energy: 0.4881954947483715
Energy: 0.4759197444910089
Energy: 0.45617598909674306
Energy: 0.49230235130923883
Energy: 0.4616914509569995
Energy: 0.49336000852214035
Energy: 0.4938212098201495
Energy: 0.49002483121522616
Energy: 0.45478814095718517
Energy: 0.48520057044005055
Energy: 0.49111596773228394
Energy: 0.4901600872250275
Energy: 0.4866161731880601
Energy: 0.4876362870999294
Energy: 0.48906719169984564
Energy: 0.48458457328267995
Energy: 0.4624630739261279
Energy: 0.4625528947014026
Energy: 0.4903247794032502
Energy: 0.46478533571658
Energy: 0.49428604753468536
Energy: 0.5822959371814748
Energy: 0.5198971567556938
Energy: 0.47176707618327307
Energy: 0.49530659483394723
Energy: 0.511753461473264
Energy: 0.5050585626637075
Energy: 0.4859622037457398
Energy: 0.4965353928615641
Energy: 0.49668906395317275
Energy: 0.49337228046587056
Energy: 0.4938758670684482
Energy: 0.49803089617303764
Energy: 0.4938166781514597
Energy: 0.46777616946804296
Energy: 0.4672233605851699
Energy: 0.51824424902778
Energy: 0.47874672613841357
Energy: 0.47637339153203545
Energy: 0.5205506070509626
Energy: 0.46607482757128976
Energy: 0.4727164754623395
Energy: 0.5206618982758447
Energy: 0.46206416158675806
Energy: 0.504167459379734
Energy: 0.5385602072973784
Energy: 0.5016318109452451
Energy: 0.5022614190239287
Energy: 0.4910378225382293
Energy: 0.48608444933255224
Energy: 0.5055586855894545
Energy: 0.48029204036523854
Energy: 0.5023677908988061
Energy: 0.4849833203796409
Energy: 0.4599916729721511
Energy: 0.497905857425404
Energy: 0.4853871167416687
Energy: 0.5069428608088199
Energy: 0.4881638197971911
Energy: 0.48752512519127533
Energy: 0.49908441803394676
Energy: 0.4858394415945344
Energy: 0.48816591118029595
Energy: 0.5294119057024602
Energy: 0.5143568997143215
Energy: 0.5205982563251923
Energy: 0.4696088815248656
Energy: 0.5137449319589985
Energy: 0.4927309295411464
Energy: 0.5079093934410803
Energy: 0.491913037104849
Energy: 0.4943711987218043
Energy: 0.49809650448418596
Energy: 0.4880279609096329
Energy: 0.4930387948361478
Energy: 0.5689136246978671
Energy: 0.4737398036565439
Energy: 0.47315458706171915
Energy: 0.51111402325764
Energy: 0.474553277969471
Energy: 0.4784167981707554
Energy: 0.49167689893044436
Energy: 0.47151285699977485
Energy: 0.5016563304531613
Energy: 0.4936239194258194
Energy: 0.4690526592658802
Energy: 0.4940591180842142
Energy: 0.48324020258299377
Energy: 0.488750913709577
Energy: 0.4901925832553224
Energy: 0.4690019257297589
Energy: 0.518671162010569
Energy: 0.475112243964537
Energy: 0.5218067407111839
Energy: 0.4860062599218206
Energy: 0.48852699640734504
Energy: 0.4695328553772711
Energy: 0.48452881449917823
Energy: 0.4665931940021419
Energy: 0.5007795051577453
Energy: 0.4912835182615304
Energy: 0.4945321058166372
Energy: 0.48231711994725357
Energy: 0.4945593680315677
Energy: 0.4951960773192855
Energy: 0.48775357286289234
Energy: 0.4891160725179051
Energy: 0.4857836045930116
Energy: 0.4889638627530851
Energy: 0.48963084621956654
Energy: 0.48430651074902403
Energy: 0.49236206746054917
Energy: 0.48877546690332374
Energy: 0.48782846664556034
Energy: 0.493075895716366
Energy: 0.4914675685462005
Energy: 0.4889150315066785
Energy: 0.4882937944410513
Energy: 0.4705031829118682
Energy: 0.47016335349402394
Energy: 0.4886598933759445
Energy: 0.47115388179262124
Energy: 0.4880064097798027
Energy: 0.4850994497208437
Energy: 0.48642798115373914
Energy: 0.4998528463870829
Energy: 0.5080767137463393
Energy: 0.48616750717686164
Energy: 0.4998859137748604
Energy: 0.6219520088366144
Energy: 0.5315429476284369
Energy: 0.4799102182014696
Energy: 0.4592334160568847
Energy: 0.537355407146784
Energy: 0.4591718556642629
Energy: 0.4422520621407195
Energy: 0.5039423055048602
Energy: 0.46344358806507746
Energy: 0.44242837175736754
Energy: 0.5029467791035467
Energy: 0.4573441296883534
Energy: 0.48586330434609704
Energy: 0.500964250044534
Energy: 0.5051641295518742
Energy: 0.5152105454365947
Energy: 0.5025259337116877
Energy: 0.4998702104919032
Energy: 0.4949852391699485
Energy: 0.4749718066758685
Energy: 0.4745233861569719
Energy: 0.49520861125602134
Energy: 0.4756592692175013
Energy: 0.491066182032189
Energy: 0.486860916342438
Energy: 0.49183921563357935
Energy: 0.4929709031914245
Energy: 0.4876208978760254
Energy: 0.49231773129630063
Energy: 0.4944807908913772
Energy: 0.4870280335407032
Energy: 0.49386390967839006
Energy: 0.4920028382326979
Energy: 0.48759886841782585
Energy: 0.507584632967005
Energy: 0.4912750819327078
Energy: 0.49163538343178875
Energy: 0.4893867723761875
Energy: 0.4991924345908204
Energy: 0.49986902382505305
Energy: 0.4888896390273565
Energy: 0.5004900906916264
Energy: 0.5872180589125057
Energy: 0.5010649529336241
Energy: 0.5047111533590994
Energy: 0.4694214495779547
Energy: 0.5021332659796398
Energy: 0.4729053848840759
Energy: 0.4654771885177252
Energy: 0.4998549416708255
Energy: 0.502133932692078
Energy: 0.4728707221934761
Energy: 0.49266247096089494
Energy: 0.5037204807674498
Energy: 0.49551159864795535
Energy: 0.4759614723895715
Energy: 0.47781529528804395
Energy: 0.492578602905131
Energy: 0.4622177077814185
Energy: 0.4936101538409906
Energy: 0.5166527993542678
Energy: 0.4677772040485896
Energy: 0.4671473662645122
Energy: 0.5155378176209612
Energy: 0.46888463721947493
Energy: 0.4771718140516956
Energy: 0.5124118774152303
Energy: 0.4959093940502204
Energy: 0.4975418941464121
Energy: 0.504554234713947
Energy: 0.4956388828941461
Energy: 0.49927397014766295
Energy: 0.47944125503923457
Energy: 0.4861881544138456
Energy: 0.4895416045013151
Energy: 0.4593261526905255
Energy: 0.4872258496748482
Energy: 0.5513826243689177
Energy: 0.511508259202166
Energy: 0.49165060233365276
Energy: 0.49583236752300225
Energy: 0.4993154739391051
Energy: 0.48886105491030873
Energy: 0.492670725586725
Energy: 0.500888913965886
Energy: 0.4900925998290924
Energy: 0.487628189321846
Energy: 0.469665033756411
Energy: 0.489423346383018
Energy: 0.4876553042013143
Energy: 0.5612602350201311
Energy: 0.48854869522559624
Energy: 0.4892939003342531
Energy: 0.5021855814066342
Energy: 0.5182612698603926
Energy: 0.49165016520367116
Energy: 0.5032163938043438
Energy: 0.4712238789257699
Energy: 0.4743122660776588
Energy: 0.5255678602807473
Energy: 0.4777745063853429
Energy: 0.5131572667266725
Energy: 0.5552282820227844
Energy: 0.4736788363914951
Energy: 0.4705524652100461
Energy: 0.5207100636867152
Energy: 0.4719869524494812
Energy: 0.48669979668911484
Energy: 0.4918498670875337
Energy: 0.4903811633934099
Energy: 0.4937400211125663
Energy: 0.49053331436038494
Energy: 0.4874234482679381
Energy: 0.48795856779846375
Energy: 0.668813004878607
Energy: 0.445227942078984
Energy: 0.49339323091827125
Energy: 0.4889932472602575
Energy: 0.44428010722492084
Energy: 0.49339952979191953
Energy: 0.4913840411906842
Energy: 0.45153123387223526
Energy: 0.4538681812641326
Energy: 0.49367630164436405
Energy: 0.4491703824823407
Energy: 0.48821170689613225
Energy: 0.48666394606255947
Energy: 0.48817127608981276
Energy: 0.4862803825455135
Energy: 0.49111372605684767
Energy: 0.4834956076714023
Energy: 0.48585365923539914
Energy: 0.49768915049039036
Energy: 0.46203740648020136
Energy: 0.4924822365795636
Energy: 0.4974311060357014
Energy: 0.4506207631747012
Energy: 0.46892135749671504
Energy: 0.4857958710747794
Energy: 0.47060412057523576
Energy: 0.4569956147206553
Energy: 0.48714988062658765
Energy: 0.47477016378866965
Energy: 0.45613340845970923
Energy: 0.49409677736081725
Energy: 0.4703773340971148
Energy: 0.4701274075384332
Energy: 0.461597474554003
Energy: 0.47045794787283846
Energy: 0.45545658068152295
Energy: 0.47235509482912436
Energy: 0.4626902053633937
Energy: 0.46178749052720813
Energy: 0.46116487895425184
Energy: 0.4456093811713973
Energy: 0.460778905406437

minimum gb energy = 0.4422520621407195 eV
minimum distance =  2.66112634675624 Angstroms
sigma value = 81


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

Energy: 0.8290368108415833
Energy: 0.46268096501230405
Energy: 0.435331838519254
Energy: 0.4343529228898227
Energy: 0.46274842505121727
Energy: 0.43551722836499257
Energy: 0.44984520288498725
Energy: 0.4523841369470049
Energy: 0.45279537663067304
Energy: 0.45484661590908954
Energy: 0.43842169802073716
Energy: 0.45263637636122217
Energy: 0.4532423823984028
Energy: 0.4379823354920329
Energy: 0.4371311045127612
Energy: 0.47381499274229244
Energy: 0.43680317865330265
Energy: 0.4654123609068417
Energy: 0.45024004487245806
Energy: 0.43785117318935113
Energy: 0.44728190378121097
Energy: 0.45041686641779466
Energy: 0.4382871401082849
Energy: 0.44963507405888953
Energy: 0.4517932508237152
Energy: 0.45262943754713747
Energy: 0.4526953926198421
Energy: 0.45276009663826877
Energy: 0.4527471030457113
Energy: 0.45151972652870126
Energy: 0.4606155595455253
Energy: 0.454209715009469
Energy: 0.45181839050043776
Energy: 0.45867394885024465
Energy: 0.45388739411131734
Energy: 0.45152241932761245
Energy: 0.44928463496238596
Energy: 0.44525737861071346
Energy: 0.44327921407971466
Energy: 0.4454294638849307
Energy: 0.43824582445623145
Energy: 0.45593443148889234
Energy: 0.5365787462267779
Energy: 0.4810031145991608
Energy: 0.4805005722100805
Energy: 0.4388033046481455
Energy: 0.4928100260149799
Energy: 0.45160049995144325
Energy: 0.4452437592536236
Energy: 0.4436254284992224
Energy: 0.4436044614634278
Energy: 0.44581978436784075
Energy: 0.4360741631336757
Energy: 0.4459594075062004
Energy: 0.4632009769328451
Energy: 0.41668607151953296
Energy: 0.4146976152196097
Energy: 0.46384546989686115
Energy: 0.4183805928510324
Energy: 0.41291511082199606
Energy: 0.449877608781243
Energy: 0.42162027222723647
Energy: 0.4203611488672804
Energy: 0.4452525797076395
Energy: 0.4172690883032579
Energy: 0.4452715296697702
Energy: 0.4342174514296176
Energy: 0.44233169439388975
Energy: 0.4425543765873623
Energy: 0.4340951422675604
Energy: 0.44356599566893024
Energy: 0.4422996118803926
Energy: 0.4330193407668208
Energy: 0.453658528125858
Energy: 0.4411454531249706
Energy: 0.4371519518447623
Energy: 0.45803054693666145
Energy: 0.43663546265653436
Energy: 0.4718050513555897
Energy: 0.4579281659952994
Energy: 0.4562457545586394
Energy: 0.4357691393267405
Energy: 0.4360952756057648
Energy: 0.45610527534042755
Energy: 0.5599528409934856
Energy: 0.4787210215218349
Energy: 0.4616603863740099
Energy: 0.4628021838379609
Energy: 0.466117682159886
Energy: 0.4619337023681368
Energy: 0.4642082611753817
Energy: 0.45734089607316275
Energy: 0.4579575811650297
Energy: 0.46364334248995054
Energy: 0.4569773761109185
Energy: 0.45845936070461973
Energy: 0.5050698475573637
Energy: 0.4398199292611911
Energy: 0.44114812721263347
Energy: 0.48247965350261246
Energy: 0.4405167384622456
Energy: 0.44458257451134614
Energy: 0.44166446782871094
Energy: 0.4561069528445278
Energy: 0.45587581420169143
Energy: 0.4352806921204054
Energy: 0.44699769616189966
Energy: 0.43985267968639263
Energy: 0.4138202600613047
Energy: 0.4441840196265861
Energy: 0.4142935409696039
Energy: 0.4194714428923169
Energy: 0.45602804254606344
Energy: 0.4162635487562587
Energy: 0.41293460836030094
Energy: 0.4447700451839772
Energy: 0.4102258344279353
Energy: 0.4194401084387671
Energy: 0.4567800371300669
Energy: 0.4156269351219214
Energy: 0.4416907841599036
Energy: 0.44790490114435616
Energy: 0.4469967662264073
Energy: 0.43529968791777435
Energy: 0.44643539806068605
Energy: 0.44715008481283636
Energy: 0.45755005118846476
Energy: 0.43919233225912324
Energy: 0.44721945001764263
Energy: 0.45938992452879385
Energy: 0.437876642456236
Energy: 0.44618659739890504
Energy: 0.4594667290801452
Energy: 0.455194695818366
Energy: 0.4549224656003894
Energy: 0.459295792077507
Energy: 0.4564116259759511
Energy: 0.45697478462843
Energy: 0.45932022463654926
Energy: 0.4635995206785851
Energy: 0.4602621639653193
Energy: 0.4592347525213335
Energy: 0.4649381640725167
Energy: 0.46001743461653016
Energy: 0.46261776427185103
Energy: 0.4565133683703446
Energy: 0.4581873305014362
Energy: 0.45727480355815037
Energy: 0.4598164478431603
Energy: 0.45710166071420133
Energy: 0.4965076669766389
Energy: 0.4794628351965293
Energy: 0.47902307973264363
Energy: 0.43859005134121437
Energy: 0.47450567967555646
Energy: 0.4485452776372981
Energy: 0.4534973819959933
Energy: 0.44250276456004717
Energy: 0.44218022107091476
Energy: 0.45011361715236026
Energy: 0.44414566490965823
Energy: 0.4442052001733086
Energy: 0.44597777106966113
Energy: 0.42208339353794033
Energy: 0.44659837251942774
Energy: 0.4524557078781547
Energy: 0.4189859132738364
Energy: 0.44544315351785374
Energy: 0.4668324105441075
Energy: 0.41553445851588305
Energy: 0.4137575171870015
Energy: 0.4665253265787769
Energy: 0.4178602765757171
Energy: 0.41269107617305734
Energy: 0.44875668451398154
Energy: 0.44314794324486406
Energy: 0.4441836130710582
Energy: 0.44623116781975863
Energy: 0.4416872142629355
Energy: 0.4493436011509637
Energy: 0.43366709256220676
Energy: 0.4560949923400595
Energy: 0.44177558005529555
Energy: 0.43770248024452746
Energy: 0.4676819919948953
Energy: 0.43769998043004604
Energy: 0.45462304602277454
Energy: 0.4350601516285646
Energy: 0.44423097399603545
Energy: 0.44738314538177276
Energy: 0.43514402368981103
Energy: 0.448731045293518
Energy: 0.45703810458647637
Energy: 0.4502483587817041
Energy: 0.4504740110181208
Energy: 0.4573561754698581
Energy: 0.451159704105965
Energy: 0.45075169456622083
Energy: 0.45536919181275815
Energy: 0.4539416765473394
Energy: 0.45365673298163695
Energy: 0.45579101893049395
Energy: 0.4543783284139728
Energy: 0.4540230271201686
Energy: 0.4562486537235818
Energy: 0.45296147335943726
Energy: 0.4552059956744983
Energy: 0.4566835003623044
Energy: 0.4389757076859033
Energy: 0.4526714182160868
Energy: 0.5112621104556949
Energy: 0.4395776382060241
Energy: 0.4393183885104667
Energy: 0.46828121298366343
Energy: 0.4406828053998436
Energy: 0.49675130559490155
Energy: 0.450349760962216
Energy: 0.45246205256308997
Energy: 0.4533819389404859
Energy: 0.4545816972824441
Energy: 0.4383028027631129
Energy: 0.4544936489399255
Energy: 0.5720727437589644
Energy: 0.4393069642604062
Energy: 0.4355709701877249
Energy: 0.42522139112274
Energy: 0.4384114052258831
Energy: 0.43375884403859827

minimum gb energy = 0.4102258344279353 eV
minimum distance =  2.69256107975476 Angstroms
sigma value = 43


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

Energy: 0.6492649887765692
Energy: 0.47431427204388554
Energy: 0.4398874637526212
Energy: 0.4418361058314073
Energy: 0.526813369164788
Energy: 0.4386035810437221
Energy: 0.43372834700391183
Energy: 0.44170821282179396
Energy: 0.4462656178740619
Energy: 0.4663280462821221
Energy: 0.4418926751135676
Energy: 0.43515873340288197
Energy: 0.48397802466634776
Energy: 0.4277719510342858
Energy: 0.4274348800096993
Energy: 0.4515159017448845
Energy: 0.4277787211114659
Energy: 0.43526277438424427
Energy: 0.4326033018783169
Energy: 0.42544019897014956
Energy: 0.4365200382314427
Energy: 0.43253476200024255
Energy: 0.43177869747619857
Energy: 0.43583122563738946
Energy: 0.4309737652867571
Energy: 0.43768289967774066
Energy: 0.4348702970330856
Energy: 0.4330399423008641
Energy: 0.43341015847625786
Energy: 0.434639834768788
Energy: 0.4322577497825405
Energy: 0.43497291034971036
Energy: 0.43346637936389976
Energy: 0.4353999056894072
Energy: 0.43526885775231644
Energy: 0.433605252848561
Energy: 0.4333610279582101
Energy: 0.43682439211861845
Energy: 0.4328692921330092
Energy: 0.4366130507699726
Energy: 0.4317644940381807
Energy: 0.4348223156249017
Energy: 0.486183642178732
Energy: 0.43026299337123364
Energy: 0.4304135158684601
Energy: 0.4364108822576376
Energy: 0.43011524717156563
Energy: 0.4319611916672579
Energy: 0.4327397624673295
Energy: 0.42992912860602545
Energy: 0.43172481863331275
Energy: 0.4335332387966243
Energy: 0.43081763193389166
Energy: 0.434665997305253
Energy: 0.43190222825826974
Energy: 0.4372470459514604
Energy: 0.43723927101542104
Energy: 0.446034103598571
Energy: 0.43535498693759545
Energy: 0.43681980482078886
Energy: 0.43712915503034644
Energy: 0.4450557123039407
Energy: 0.45219800732231913
Energy: 0.4324914415970906
Energy: 0.43369652416073445
Energy: 0.4467636217195264
Energy: 0.4397942571587253
Energy: 0.4323219710963269
Energy: 0.4358825715662626
Energy: 0.4338309688278964
Energy: 0.4317981403345538
Energy: 0.43480473471792475
Energy: 0.440022922613873
Energy: 0.4316092139664152
Energy: 0.44137208859177235
Energy: 0.42988846109846
Energy: 0.4333632900274181
Energy: 0.4413741591566377
Energy: 0.4369492465499203
Energy: 0.43402026903573226
Energy: 0.4367324235407144
Energy: 0.43554485280996574
Energy: 0.4331916280787233
Energy: 0.44146532342378353
Energy: 0.4370752580934676
Energy: 0.4394973716274091
Energy: 0.43964154191808275
Energy: 0.4413036411752716
Energy: 0.43084825474161514
Energy: 0.43898604352164844
Energy: 0.4372967765103751
Energy: 0.43764856423658716
Energy: 0.4414067343995812
Energy: 0.4372616029955528
Energy: 0.4342809727714317
Energy: 0.442039010659631
Energy: 0.4374468193067818
Energy: 0.4527528873929218
Energy: 0.4527543269135996
Energy: 0.43761537070569984
Energy: 0.4392475143559188
Energy: 0.4372617709273255
Energy: 0.43679451576631456
Energy: 0.44740646180461
Energy: 0.4522982783700445
Energy: 0.4447962508578966
Energy: 0.44489531219505385
Energy: 0.4438500143036618
Energy: 0.43457602981477306
Energy: 0.43686961316635003
Energy: 0.44381435171507705
Energy: 0.4359884175217504
Energy: 0.4368815157991631
Energy: 0.43804272755830087
Energy: 0.4341896588056941
Energy: 0.4369918428039648
Energy: 0.44370485529541537
Energy: 0.43742211295138106
Energy: 0.43715646826498533
Energy: 0.43557650963763545
Energy: 0.43645117785634346
Energy: 0.44858945384212146
Energy: 0.4476710534513686
Energy: 0.4498958712913767
Energy: 0.4411910319452778
Energy: 0.4445977579516157
Energy: 0.4934333714414766
Energy: 0.4422301695657347
Energy: 0.43938788531958844
Energy: 0.47611745557590185
Energy: 0.4268007493649506
Energy: 0.4839110784919863
Energy: 0.4476078754113286
Energy: 0.4483630237872539
Energy: 0.44838613177643
Energy: 0.44535253125899105
Energy: 0.4451228265026549
Energy: 0.4506530643402392
Energy: 0.4734902327142361
Energy: 0.43714146507191676
Energy: 0.4368723643264554
Energy: 0.4557911876914793
Energy: 0.4385272107187556
Energy: 0.4430740065955739
Energy: 0.48732253419561955
Energy: 0.43676167898167995
Energy: 0.43726608642001463
Energy: 0.4416500623143423
Energy: 0.4367420750574764
Energy: 0.4433115778933476
Energy: 0.46982896800935503
Energy: 0.4424136944445154
Energy: 0.4403133836503453
Energy: 0.4446658829630251
Energy: 0.43811190239368275
Energy: 0.4397498968439552
Energy: 0.4695293031676638
Energy: 0.4426194853452573
Energy: 0.4444423130917811
Energy: 0.4356971479830654
Energy: 0.44219822933783565
Energy: 0.44416427861152885
Energy: 0.4706261185023865
Energy: 0.43838271359499303
Energy: 0.43717809937145063
Energy: 0.4313667707954293
Energy: 0.43562111314630264
Energy: 0.43607592643896903
Energy: 0.42866550642397716
Energy: 0.435172290491249
Energy: 0.43412867168407354
Energy: 0.4286150631631662
Energy: 0.4363103394287521
Energy: 0.4330301017523243
Energy: 0.4331820859582385
Energy: 0.4382761882047438
Energy: 0.4372868392783093
Energy: 0.429557652494368
Energy: 0.43301213359732926
Energy: 0.4339868488685676
Energy: 0.4302672690113705
Energy: 0.4675267048290711
Energy: 0.44745079825158696
Energy: 0.44240254688278213
Energy: 0.46370818726070906
Energy: 0.42742389514772766

minimum gb energy = 0.42544019897014956 eV
minimum distance =  2.67807135942067 Angstroms
sigma value = 57


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

Energy: 0.6157891672789799
Energy: 0.49915973924171225
Energy: 0.4461809658415642
Energy: 0.420711468382764
Energy: 0.4990205689163348
Energy: 0.4466454719338875
Energy: 0.4438338820007748
Energy: 0.44007212537649476
Energy: 0.4312741126615949
Energy: 0.4511837721355109
Energy: 0.45102695773746704
Energy: 0.43209728843526257
Energy: 0.4563914915064566
Energy: 0.41454613719601424
Energy: 0.4125664539430043
Energy: 0.4416891887614704
Energy: 0.4137321252189654
Energy: 0.41355939746208853
Energy: 0.4424999525290786
Energy: 0.4117841541440538
Energy: 0.41235961778263613
Energy: 0.44249882082171543
Energy: 0.4120032098872863
Energy: 0.43367518643716313
Energy: 0.44922147974819715
Energy: 0.42817048409558595
Energy: 0.42813897698958686
Energy: 0.435310982819258
Energy: 0.4317020076405689
Energy: 0.4350638485991314
Energy: 0.4129668494163277
Energy: 0.4306639948979031
Energy: 0.42718632900632914
Energy: 0.4341394549191345
Energy: 0.42966519599182285
Energy: 0.4284041063888855
Energy: 0.4514737912928237
Energy: 0.43343672329389027
Energy: 0.4333327984925771
Energy: 0.4352340861485922
Energy: 0.44486101536559286
Energy: 0.4315382646320412
Energy: 0.4542048160397716
Energy: 0.4350307827138686
Energy: 0.42675821052543395
Energy: 0.4311964559048368
Energy: 0.4370893214250213
Energy: 0.43824146933322605
Energy: 0.45101300462035676
Energy: 0.4320176788792321
Energy: 0.4287865266260449
Energy: 0.45199205863466546
Energy: 0.4504849875888745
Energy: 0.43239951369611423
Energy: 0.4335222513275709
Energy: 0.4325880371756918
Energy: 0.4355915197049264
Energy: 0.4328829954327859
Energy: 0.4357932359660398
Energy: 0.442212069147382
Energy: 0.4553978377962981
Energy: 0.42995229854308326
Energy: 0.43421372295252125
Energy: 0.4387822124816765
Energy: 0.43127601079994976
Energy: 0.4303460217876385
Energy: 0.4188718964557387
Energy: 0.4505003567714127
Energy: 0.4324027287924668
Energy: 0.4192248252925469
Energy: 0.45218099928891897
Energy: 0.43066885388408405
Energy: 0.420600303087669
Energy: 0.443035340826109
Energy: 0.4606217017771988
Energy: 0.41643647386106775
Energy: 0.45919358662830356
Energy: 0.41244553231243053
Energy: 0.4529719521399213
Energy: 0.4338329829326181
Energy: 0.4320461806161352
Energy: 0.4520911803379299
Energy: 0.428481318162576
Energy: 0.43339520803161813
Energy: 0.43109858583326416
Energy: 0.41901719643912744
Energy: 0.42022451738642635
Energy: 0.430051630294128
Energy: 0.4117211625099236
Energy: 0.4207649350472073
Energy: 0.44499362015549326
Energy: 0.4326424351095648
Energy: 0.43137152892322495
Energy: 0.44480068044911936
Energy: 0.4312245785571335
Energy: 0.43158117892761305
Energy: 0.4518712478537352
Energy: 0.4311551876322294
Energy: 0.4311478054673092
Energy: 0.4288067922076681
Energy: 0.4307803041787689
Energy: 0.428949966402602
Energy: 0.45183559067515217
Energy: 0.4327852296501784
Energy: 0.43312198842737415
Energy: 0.42721582263240676
Energy: 0.43436409033986556
Energy: 0.4344407901172005
Energy: 0.4527233403814046
Energy: 0.4437618518087906
Energy: 0.43387230798061077
Energy: 0.43054965723496363
Energy: 0.4425643398181917
Energy: 0.4303231624523743
Energy: 0.45305843407394863
Energy: 0.4429038460089693
Energy: 0.43483151343437115
Energy: 0.43097987575066554
Energy: 0.44255089418173615
Energy: 0.43044333945117835
Energy: 0.43800725119758627
Energy: 0.43011658524422747
Energy: 0.43231560544316217
Energy: 0.4396907141628087
Energy: 0.45270667742284354
Energy: 0.4318940690502013
Energy: 0.47085424522059843
Energy: 0.4349983574214761
Energy: 0.42826573888259306
Energy: 0.42915025835765924
Energy: 0.43923885634748033
Energy: 0.43521982616839544
Energy: 0.4529043619832396
Energy: 0.43648152836404946
Energy: 0.43033335320098903
Energy: 0.4290978487932566
Energy: 0.45289723858902203
Energy: 0.4324225589068722
Energy: 0.42085283314997435
Energy: 0.44254339710842605
Energy: 0.46038993306311476
Energy: 0.417190477152796
Energy: 0.4265764088071095
Energy: 0.4122491260522921

minimum gb energy = 0.4117211625099236 eV
minimum distance =  2.6982244625899 Angstroms
sigma value = 17


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

Energy: 0.7270974590217695
Energy: 0.46298797407802555
Energy: 0.4745828523542965
Energy: 0.42362548708235326
Energy: 0.46302852957298485
Energy: 0.4319011954561066
Energy: 0.5332874959706375
Energy: 0.47770356820646254
Energy: 0.43382623621249355
Energy: 0.4844490997287748
Energy: 0.4782808248338694
Energy: 0.44014364557598495
Energy: 0.416815546228271
Energy: 0.41326796403127325
Energy: 0.41293607992615067
Energy: 0.46664152492556954
Energy: 0.41313929456042203
Energy: 0.4233734355838493
Energy: 0.46756444443757356
Energy: 0.42223867746622984
Energy: 0.42215195388867294
Energy: 0.46785116404612465
Energy: 0.38932232017756324
Energy: 0.43828809943766023
Energy: 0.42094234532680636
Energy: 0.40974983430280565
Energy: 0.40686954368197886
Energy: 0.4215173615690291
Energy: 0.4134889488034913
Energy: 0.40761689908583804
Energy: 0.4238332566704867
Energy: 0.4146712185450675
Energy: 0.4062261097878814
Energy: 0.39241383909980837
Energy: 0.4200864280626123
Energy: 0.39120854038484637
Energy: 0.41957494284007796
Energy: 0.415280121391053
Energy: 0.4158251612798805
Energy: 0.41493757905459516
Energy: 0.4179205833276534
Energy: 0.4026541603428555
Energy: 0.41169747106007787
Energy: 0.391065769361535
Energy: 0.3912025285596841
Energy: 0.3910870187812328
Energy: 0.39081668727457064
Energy: 0.39092013926415947
Energy: 0.41665016628713947
Energy: 0.3892498827804346
Energy: 0.3892660212449907
Energy: 0.4176309217601445
Energy: 0.3901824774405741
Energy: 0.40373865636701334
Energy: 0.4198914481701351
Energy: 0.40599649206636007
Energy: 0.4062532931294103
Energy: 0.4200742929872639
Energy: 0.40551052264662685
Energy: 0.4059426534666262
Energy: 0.4114475097707797
Energy: 0.40706167405612775
Energy: 0.40769077295806366
Energy: 0.41347035476431726
Energy: 0.421820747054459
Energy: 0.4070928594828422
Energy: 0.42189791884577715
Energy: 0.4691625084163799
Energy: 0.4676772530529754
Energy: 0.4044300778738223
Energy: 0.4694361966231856
Energy: 0.44284207999902836
Energy: 0.4142786895123409
Energy: 0.4667836614861971
Energy: 0.46283804357553965
Energy: 0.4037194292255104
Energy: 0.46656956889864204
Energy: 0.4629533190556003
Energy: 0.420216922706271
Energy: 0.48094342202869284
Energy: 0.43249751437910816
Energy: 0.4219970475176568
Energy: 0.485400050536412
Energy: 0.4381651409223615
Energy: 0.449766891767644
Energy: 0.46616135445360873
Energy: 0.46653005907810563
Energy: 0.4642554222747183
Energy: 0.4664082696141761
Energy: 0.4550671901742654
Energy: 0.4183280965083113
Energy: 0.48088157674298043
Energy: 0.43308247142743866
Energy: 0.47825238537386916
Energy: 0.48684150814201893
Energy: 0.4322487123193548
Energy: 0.40155972157014264
Energy: 0.46675021416213697
Energy: 0.4961878552083034
Energy: 0.41625338570228126
Energy: 0.4664685783267757
Energy: 0.4695128177136429

minimum gb energy = 0.3892498827804346 eV
minimum distance =  2.65093278804017 Angstroms
sigma value = 17


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

Energy: 0.7720200123048891
Energy: 0.5380045018150725
Energy: 0.43014988984850866
Energy: 0.4068037291060422
Energy: 0.6362475224922944
Energy: 0.43101135441543914
Energy: 0.5137158380130303
Energy: 0.3945910663377842
Energy: 0.3891707331226749
Energy: 0.48216538058313596
Energy: 0.4887661369931952
Energy: 0.4289314781843935
Energy: 0.5647908065159348
Energy: 0.3713370448046703
Energy: 0.3988481221350024
Energy: 0.4814938099053967
Energy: 0.3710694655925566
Energy: 0.4026371504779808
Energy: 0.47795694028854924
Energy: 0.42202226655626
Energy: 0.4216242414106977
Energy: 0.4783947129046836
Energy: 0.3717719356265767
Energy: 0.4198898373373825
Energy: 0.41490884791138083
Energy: 0.3926439737845626
Energy: 0.39413806438744386
Energy: 0.4152549062750871
Energy: 0.4034799904241926
Energy: 0.3901209462932705
Energy: 0.41997664315220445
Energy: 0.3899559444764958
Energy: 0.36889608837417454
Energy: 0.3732398047454131
Energy: 0.4093439914556394
Energy: 0.36962195672841514
Energy: 0.38183567166238896
Energy: 0.4142596049212806
Energy: 0.40936779402452067
Energy: 0.3657701050657616
Energy: 0.411271420104667
Energy: 0.36443533539497747
Energy: 0.3992021991833849
Energy: 0.3631423702034209
Energy: 0.36657597975183065
Energy: 0.36636847262279265
Energy: 0.35926933928614024
Energy: 0.3671030579858394
Energy: 0.3822901290335379
Energy: 0.3772351319032569
Energy: 0.3783244846806188
Energy: 0.38318165932268716
Energy: 0.3733363073968063
Energy: 0.38148778516371123
Energy: 0.3814774630053686
Energy: 0.3600725008103589
Energy: 0.3605505932464499
Energy: 0.3815857089150301
Energy: 0.35958160236439785
Energy: 0.36017706177923997
Energy: 0.3923222802076724
Energy: 0.35972808611488155
Energy: 0.3595000462402673
Energy: 0.3603857739953397
Energy: 0.3817224251818373
Energy: 0.360070684081015
Energy: 0.38344434360085733
Energy: 0.3878367772101555
Energy: 0.3816362429592454
Energy: 0.38343345624022357
Energy: 0.38507402244507183
Energy: 0.3783494548383362
Energy: 0.39338570750858
Energy: 0.3672108470222512
Energy: 0.36778530273234217
Energy: 0.3645066158246695
Energy: 0.39245271052197395
Energy: 0.3698932559654697
Energy: 0.4086697172943098
Energy: 0.36458659010515787
Energy: 0.3645356930913299
Energy: 0.40965288822639656
Energy: 0.3643450548586277
Energy: 0.4091721116804532
Energy: 0.40909089545175176
Energy: 0.36932444771830636
Energy: 0.36809000949510223
Energy: 0.4091348340303531
Energy: 0.36910245923522167
Energy: 0.38504632362615415
Energy: 0.47571696423886706
Energy: 0.411022384378368
Energy: 0.3895411175148518
Energy: 0.40396597525560485
Energy: 0.41543289870966327
Energy: 0.3929691476634317
Energy: 0.382213262935157
Energy: 0.48362414660568875
Energy: 0.45897396285664915
Energy: 0.3781730353708836
Energy: 0.48122171756538407
Energy: 0.39553709616666305
Energy: 0.3821520005067729
Energy: 0.47256528091092015
Energy: 0.468412956769952
Energy: 0.378859743689662
Energy: 0.4804212821859235
Energy: 0.40238357782066975
Energy: 0.4767234632469108
Energy: 0.4629691269404506
Energy: 0.42935174764282913
Energy: 0.41442175991123403
Energy: 0.3979962963906763
Energy: 0.3894422682196659
Energy: 0.5638974571629711
Energy: 0.40534570024216765
Energy: 0.4053869930616954
Energy: 0.454884784931663
Energy: 0.40551124814175726
Energy: 0.4531873310094898
Energy: 0.46336519392497993
Energy: 0.45515467443354996
Energy: 0.42820336191221425
Energy: 0.4776130161914927
Energy: 0.4417414753176454
Energy: 0.38929022244264955
Energy: 0.38791262194035986
Energy: 0.45178071172404427
Energy: 0.4869556106513274
Energy: 0.37345796536883547
Energy: 0.46391101443709504
Energy: 0.42388668670680996
Energy: 0.39015875547011397
Energy: 0.472079960096581
Energy: 0.3909499834384352
Energy: 0.386052463053204
Energy: 0.4703956509977618
Energy: 0.45129958422727706
Energy: 0.5633497603252798
Energy: 0.41229582152236005
Energy: 0.3908037712461084
Energy: 0.4775502554686094
Energy: 0.38398850281228614
Energy: 0.46798935851119805
Energy: 0.4848739308630634
Energy: 0.37331672068164984
Energy: 0.39885727081750616
Energy: 0.477521046291708
Energy: 0.37333060657285305
Energy: 0.4028727110226839
Energy: 0.4169449958456578
Energy: 0.40577510527446015
Energy: 0.3922271752797016
Energy: 0.4161528024556136
Energy: 0.40442521258140424
Energy: 0.40452845354381495
Energy: 0.3755340157482827
Energy: 0.3944098548625153
Energy: 0.39507506766385736
Energy: 0.37103486071555114
Energy: 0.39334042157908045
Energy: 0.3793133266122237
Energy: 0.379719459888753
Energy: 0.4133585147444824
Energy: 0.4082533701173488
Energy: 0.3802390766161793
Energy: 0.41065937086917503
Energy: 0.4082943781516956
Energy: 0.3952612264284692
Energy: 0.36557358296801995
Energy: 0.3657700552946884
Energy: 0.36490152857069164
Energy: 0.40967056316813405
Energy: 0.36592505389657526
Energy: 0.3882381992925253
Energy: 0.360194192914285
Energy: 0.364835312539207
Energy: 0.38751977710998164
Energy: 0.35860983711121497
Energy: 0.36719493557196276
Energy: 0.3849999478846259
Energy: 0.3592423623580012
Energy: 0.35863019622208037
Energy: 0.38592092909828235
Energy: 0.3588210447824123
Energy: 0.3582985914583976
Energy: 0.38917621099009186
Energy: 0.3592454587613497
Energy: 0.359625266392225
Energy: 0.35896146803609336
Energy: 0.3584006571541816
Energy: 0.3596050085655109
Energy: 0.3869732818969942
Energy: 0.38587370497841694
Energy: 0.3811571124444075
Energy: 0.38768110938077455
Energy: 0.3826088102252964
Energy: 0.3815283711201276
Energy: 0.3786662349134606
Energy: 0.36768863909862287
Energy: 0.3637004519894646
Energy: 0.365557172012618
Energy: 0.3676500176880698
Energy: 0.3644516196438928
Energy: 0.4137403720992093
Energy: 0.36396373181233355
Energy: 0.36379889632378465
Energy: 0.4146509312009844
Energy: 0.3640653662940155
Energy: 0.36442853373815154
Energy: 0.41406288431397276
Energy: 0.3650230186111571
Energy: 0.38926184646059137
Energy: 0.41475534905634526
Energy: 0.3649739945016779
Energy: 0.4061514755274532
Energy: 0.5320055026203087
Energy: 0.385454692969457
Energy: 0.3877792293428994
Energy: 0.40544987610815403
Energy: 0.41022801289627064
Energy: 0.3903529055243364
Energy: 0.3858743531139942
Energy: 0.40481727910005627
Energy: 0.40399910004897593
Energy: 0.39855673941704817
Energy: 0.4773691921378319
Energy: 0.4046566447451892
Energy: 0.38183736808784463
Energy: 0.44588801174092796
Energy: 0.40372428753561423
Energy: 0.3854688377679974
Energy: 0.449718294649583
Energy: 0.3996567521740019
Energy: 0.40926994022624713
Energy: 0.4542302461197219
Energy: 0.4705534807439312
Energy: 0.41564286585595606
Energy: 0.47884940083960853
Energy: 0.42755934686822
Energy: 0.534899615072581
Energy: 0.3906737854961218
Energy: 0.45004084334587346
Energy: 0.4792749010754629
Energy: 0.39160427205515164
Energy: 0.4545707126013878
Energy: 0.5621858252738705
Energy: 0.4357012297799536
Energy: 0.3905501480199827
Energy: 0.4778732132510821
Energy: 0.40889390000929204
Energy: 0.468469447493188
Energy: 0.39131425049897667
Energy: 0.471297889241455
Energy: 0.468261815040479
Energy: 0.386883277940787
Energy: 0.46981910682170597
Energy: 0.4365589160537726

minimum gb energy = 0.3582985914583976 eV
minimum distance =  2.6740332307957 Angstroms
sigma value = 57


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

Energy: 0.3578572117944054
Energy: 0.5646819580662956
Energy: 0.4101195905573671
Energy: 0.35977658995802037
Energy: 0.5667916695185057
Energy: 0.4111374816258527
Energy: 0.43528480270352304
Energy: 0.37350890847822354
Energy: 0.36962525270785906
Energy: 0.4677656573161913
Energy: 0.37154079144184077
Energy: 0.3706195051702176
Energy: 0.5350450181847779
Energy: 0.3549956283507826
Energy: 0.35590781583211045
Energy: 0.4680540879726509
Energy: 0.35291595406339704
Energy: 0.38665638588792034
Energy: 0.45892226334463737
Energy: 0.35648807834427715
Energy: 0.4087688593792824
Energy: 0.3928622245407242
Energy: 0.35312814794028674
Energy: 0.4118278854003259
Energy: 0.39624273531673126
Energy: 0.37326218426032987
Energy: 0.37519742898428127
Energy: 0.3964600929624887
Energy: 0.3905305748966126
Energy: 0.3713675290510971
Energy: 0.3506552044755102
Energy: 0.3702446406991184
Energy: 0.3520041987721892
Energy: 0.34203601213719265
Energy: 0.4109775537574815
Energy: 0.3531223104709559
Energy: 0.3790855613154691
Energy: 0.4052416465153595
Energy: 0.4082533212400411
Energy: 0.34555903150540274
Energy: 0.40302533299654814
Energy: 0.34463620353153146
Energy: 0.48487546507957013
Energy: 0.34287997317488983
Energy: 0.34262535195792554
Energy: 0.3946123425314232
Energy: 0.33540198498205803
Energy: 0.35172636032258114
Energy: 0.37026564922590033
Energy: 0.3628745407985187
Energy: 0.36090801122851585
Energy: 0.3708309434782089
Energy: 0.3551209658089747
Energy: 0.37723322905879003
Energy: 0.3770728360693249
Energy: 0.3346768284185849
Energy: 0.3345799982947554
Energy: 0.3774059950540741
Energy: 0.3353431013188104
Energy: 0.3342842137380537
Energy: 0.3572154640270715
Energy: 0.36389862963231184
Energy: 0.34076424563782126
Energy: 0.33558413079168503
Energy: 0.3624786151775399
Energy: 0.33958128170928903
Energy: 0.3705700137626541
Energy: 0.35934245498935025
Energy: 0.36158169757093783
Energy: 0.3487994666651403
Energy: 0.3566409980838807
Energy: 0.3323425633343154
Energy: 0.36301307689179124
Energy: 0.3679103377638408
Energy: 0.334316517984872
Energy: 0.3335391255979271
Energy: 0.37143784952535186
Energy: 0.3343342341064745
Energy: 0.35443557279247284
Energy: 0.33237539415031303
Energy: 0.3450236022232412
Energy: 0.3554365966516563
Energy: 0.35289134926119065
Energy: 0.36286925475296805
Energy: 0.36612017071081254
Energy: 0.3348728221533114
Energy: 0.333854552156075
Energy: 0.35419983205703726
Energy: 0.3376186320186991
Energy: 0.33365557566701065
Energy: 0.3786475053332246
Energy: 0.37645263204506024
Energy: 0.3350459016264236
Energy: 0.3355687960714603
Energy: 0.3751035131786589
Energy: 0.334809014252161
Energy: 0.35490231922752785
Energy: 0.3751209122273178
Energy: 0.37720170931849334
Energy: 0.33829072630177176
Energy: 0.37279406426078115
Energy: 0.3502310101576762
Energy: 0.355538940087596
Energy: 0.34995803519439644
Energy: 0.3497775364640858
Energy: 0.35621983920960326
Energy: 0.35104306153563225
Energy: 0.35023125559789225
Energy: 0.40097578494761416
Energy: 0.3453936477528017
Energy: 0.373587280965893
Energy: 0.4015505212970503
Energy: 0.3512827966366536
Energy: 0.40920253551206887
Energy: 0.4558074764454086
Energy: 0.3529422547707167
Energy: 0.35329734549910596
Energy: 0.3906268469471025
Energy: 0.3504439490917576
Energy: 0.36940271753301523
Energy: 0.5062893133745515
Energy: 0.3922765304041711
Energy: 0.39198214155117234
Energy: 0.3903561463841829
Energy: 0.3918421135791609
Energy: 0.37361409319076355
Energy: 0.3537520432117161
Energy: 0.4402273222160203
Energy: 0.39007077039706495
Energy: 0.3448372337258474
Energy: 0.4694520534364386
Energy: 0.37103027632289953
Energy: 0.3713247897457623
Energy: 0.4298759025788681
Energy: 0.42043364120825183
Energy: 0.3618746658172574
Energy: 0.4670347737449188
Energy: 0.42844057188283535
Energy: 0.504017512229782
Energy: 0.3932525258925088
Energy: 0.3728384867792804
Energy: 0.39151715333138865
Energy: 0.3837679373660625
Energy: 0.3712399561167306
Energy: 0.537643934478262
Energy: 0.36734061041429744
Energy: 0.3707366172853134
Energy: 0.44319787810346695
Energy: 0.3712454910708457
Energy: 0.4274117058841839
Energy: 0.501821166376589
Energy: 0.4177999197632835
Energy: 0.37022205513894124
Energy: 0.46501356948494876
Energy: 0.41598691094164786
Energy: 0.3916573293687768
Energy: 0.3571705153461236
Energy: 0.4225638625313096
Energy: 0.40877952724529637
Energy: 0.35441348613893225
Energy: 0.4214400221188158
Energy: 0.3829596284992807

minimum gb energy = 0.3323425633343154 eV
minimum distance =  2.69920954730914 Angstroms
sigma value = 43


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

Energy: 0.30827761465429504
Energy: 0.3991027198475596
Energy: 0.36243226401009704
Energy: 0.3042243247210394
Energy: 0.40715935417801075
Energy: 0.34134821100110785
Energy: 0.42901428446006723
Energy: 0.31164464713120166
Energy: 0.3076630494086246
Energy: 0.31916151743313637
Energy: 0.31651422071812024
Energy: 0.3083297121762151
Energy: 0.45914318989984226
Energy: 0.2946729122533885
Energy: 0.30615807720630217
Energy: 0.3384545851977923
Energy: 0.2952456638920464
Energy: 0.30557247409011756
Energy: 0.4026684238922412
Energy: 0.3052899434842341
Energy: 0.30777975976867833
Energy: 0.3411035815877005
Energy: 0.3400808276651941
Energy: 0.3522836403650857
Energy: 0.35609282958578886
Energy: 0.3110316469466936
Energy: 0.3112601365779956
Energy: 0.3459715347480533
Energy: 0.31154644511122936
Energy: 0.3072179307523684
Energy: 0.297900498363839
Energy: 0.3109907196413817
Energy: 0.2986078297662439
Energy: 0.29781465677352853
Energy: 0.3567339782666956
Energy: 0.30706941823911643
Energy: 0.4238446163492571
Energy: 0.3571036698304893
Energy: 0.33924696243530333
Energy: 0.2917094463877769
Energy: 0.35987437336920763
Energy: 0.29024781599002336
Energy: 0.4200060941711922
Energy: 0.28134262636442325
Energy: 0.2863337464705877
Energy: 0.29118002832736184
Energy: 0.28219178786234955
Energy: 0.28612969250978265
Energy: 0.3294222761201061
Energy: 0.28558347923850547
Energy: 0.3118390787143318
Energy: 0.3303629806948536
Energy: 0.2943238120213956
Energy: 0.3283800063796688
Energy: 0.32922857278767714
Energy: 0.28117011606777836
Energy: 0.28114060076429925
Energy: 0.32905405190118775
Energy: 0.28078921686993646
Energy: 0.2807128657518433
Energy: 0.29491057924896985
Energy: 0.31127637002998704
Energy: 0.27957509804578473
Energy: 0.27307795225042525
Energy: 0.3113193866498272
Energy: 0.2771560924861249
Energy: 0.3309311201943125
Energy: 0.31135363039892955
Energy: 0.3114442307407983
Energy: 0.2770086114155204
Energy: 0.315340035346523
Energy: 0.27678228570175667
Energy: 0.3300135476341812
Energy: 0.2998468090603363
Energy: 0.3039132594453131
Energy: 0.30407866236051784
Energy: 0.2997276386921933
Energy: 0.3049054944823463
Energy: 0.30089399960337887
Energy: 0.27491627294496884
Energy: 0.3010077055815233
Energy: 0.3017831768925301
Energy: 0.2976879341296315
Energy: 0.30119873410425574
Energy: 0.3012213203561338
Energy: 0.27354704052489104
Energy: 0.27312703192410787
Energy: 0.3009213121896322
Energy: 0.27350827339215134
Energy: 0.2729216685242114
Energy: 0.29691688276552025
Energy: 0.2967025416843366
Energy: 0.27223944591566124
Energy: 0.2858929860970168
Energy: 0.29638525115946807
Energy: 0.27335939396145886
Energy: 0.3024605906794147
Energy: 0.29645380650088604
Energy: 0.296799603520889
Energy: 0.28605445823408837
Energy: 0.2962287263256563
Energy: 0.2742720449191472
Energy: 0.2975304108814435
Energy: 0.2731843624489652
Energy: 0.27336106639366303
Energy: 0.2967979005361962
Energy: 0.29789936802571126
Energy: 0.2737473579910325
Energy: 0.29623374503181926
Energy: 0.2892601844445902
Energy: 0.29668106740152195
Energy: 0.2970149582208248
Energy: 0.32425307417677907
Energy: 0.29638732271522944
Energy: 0.29689874770416713
Energy: 0.30228286127957216
Energy: 0.27570374994993646
Energy: 0.30256557280015256
Energy: 0.29813895916688604
Energy: 0.27630116375294156
Energy: 0.3127491971505395
Energy: 0.3011218677781137
Energy: 0.3015311760697864
Energy: 0.271650900943821
Energy: 0.3009412835613118
Energy: 0.27654534976872164
Energy: 0.2971413829251912
Energy: 0.3011811771271941
Energy: 0.27536538048112763
Energy: 0.2757080214791299
Energy: 0.30097902166257373
Energy: 0.27353724063561147
Energy: 0.31189016140233805
Energy: 0.27575795268571834
Energy: 0.27548079435302825
Energy: 0.3112359438164161
Energy: 0.2759465274334207
Energy: 0.2749382610285858
Energy: 0.3109221977122671
Energy: 0.2785579975745223
Energy: 0.3110250672204049
Energy: 0.3118229403217636
Energy: 0.29248295589985646
Energy: 0.31117833180076004
Energy: 0.40908818850590933
Energy: 0.29052366839829946
Energy: 0.2958357504245763
Energy: 0.3138118186697392
Energy: 0.2905804134680491
Energy: 0.3136991872269874
Energy: 0.3782718460573008
Energy: 0.3285134167991766
Energy: 0.3288473455886535
Energy: 0.2802960127492432
Energy: 0.3327025505537385
Energy: 0.27980456603544984
Energy: 0.2964520830067897
Energy: 0.32843745203622754
Energy: 0.28936992991822197
Energy: 0.2785164251042334
Energy: 0.3287052013015277
Energy: 0.28350285016160404
Energy: 0.3375179727423089
Energy: 0.2920821147792128
Energy: 0.29136916168447996
Energy: 0.337682448010125
Energy: 0.29217564584964173
Energy: 0.29044975401450085
Energy: 0.35821637499723796
Energy: 0.29527406128624095
Energy: 0.3415432976103251
Energy: 0.35900931426658245
Energy: 0.283245687299844
Energy: 0.3343177387762694
Energy: 0.4359159409127063
Energy: 0.2880439158217184
Energy: 0.2964159975343244
Energy: 0.3103087244938456
Energy: 0.28872789034545476
Energy: 0.2965596699158805
Energy: 0.4356485360859721
Energy: 0.339934982882526
Energy: 0.3133168784987033
Energy: 0.3158879161424198
Energy: 0.340017409542794
Energy: 0.31085795300068353
Energy: 0.3022964058780811
Energy: 0.3526776286987099
Energy: 0.32622719834436514
Energy: 0.2935709567276411
Energy: 0.37967430314930156
Energy: 0.30936717285482923
Energy: 0.3676621535698885
Energy: 0.3410827089213203
Energy: 0.3376378788616075
Energy: 0.34323484854721853
Energy: 0.3400912807562709
Energy: 0.3156548172468981
Energy: 0.43606381161634467
Energy: 0.3195788049405867
Energy: 0.32472035365588126
Energy: 0.34124678729704355
Energy: 0.33968194225456805
Energy: 0.36991769752979514
Energy: 0.4604270893990034
Energy: 0.30633271269534856
Energy: 0.3206750198800764
Energy: 0.36531478849015714
Energy: 0.3059431260676811
Energy: 0.34685673711113213
Energy: 0.4276995174755795
Energy: 0.3403823847193239
Energy: 0.34180943711550915
Energy: 0.31319432512923623
Energy: 0.33965848682507854
Energy: 0.30915640059694177

minimum gb energy = 0.271650900943821 eV
minimum distance =  2.72086653860777 Angstroms
sigma value = 81


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

Energy: 0.014540085161992492
Energy: 0.015778290504304276
Energy: 0.01519264374741854
Energy: 0.016154693295260817
Energy: 0.016434221198557156
Energy: 0.015117875371269573
Energy: 0.03479977924642885
Energy: 0.015118566678018513
Energy: 0.015398046118050202
Energy: 0.03481477771023439
Energy: 0.017201834811794173
Energy: 0.01539332173608828
Energy: 0.03373916114460548
Energy: 0.015089240909224172
Energy: 0.01502524028257849
Energy: 0.033711412363162795
Energy: 0.014957347737852586
Energy: 0.03421814699866663
Energy: 0.01724343225702964
Energy: 0.015320185984787307
Energy: 0.015092230370956217
Energy: 0.018194263638473287
Energy: 0.015026412981881147
Energy: 0.03434555975462665
Energy: 0.033990384240650956
Energy: 0.03369100340372113
Energy: 0.033824834692182205
Energy: 0.034472189804408464
Energy: 0.033678614182814114
Energy: 0.03468717288473714
Energy: 0.015344731787377922
Energy: 0.015392590808821962
Energy: 0.015236752173237897
Energy: 0.016360273500203287
Energy: 0.015398206032211715
Energy: 0.015033603515547077
Energy: 0.03479646887280519
Energy: 0.015315502578395744
Energy: 0.01531848204634355
Energy: 0.03360788911492871
Energy: 0.015124318588445491
Energy: 0.01543071238733908
Energy: 0.03365611395601528
Energy: 0.015005549990869234
Energy: 0.015253475870539658
Energy: 0.03376964505791729
Energy: 0.01487930711693353
Energy: 0.03487350681459352
Energy: 0.01565264773011208
Energy: 0.014993431918654323
Energy: 0.035429134029076235
Energy: 0.016564753092134916
Energy: 0.015070100909585384
Energy: 0.0350288366234865
Energy: 0.015339900776075612
Energy: 0.033630960686804524
Energy: 0.03377606687722727
Energy: 0.015413124849824817
Energy: 0.03367417260612699
Energy: 0.0339601028382703

minimum gb energy = 0.014540085161992492 eV
minimum distance =  2.85843480347358 Angstroms
sigma value = 3


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

Energy: 0.3477255433791727
Energy: 0.34246002422226807
Energy: 0.34650038295971725
Energy: 0.2871190699472312
Energy: 0.3425641603657582
Energy: 0.3209737788957392
Energy: 0.3532123837730303
Energy: 0.34224521465348323
Energy: 0.35803621890360227
Energy: 0.3460258941693941
Energy: 0.3447702680991372
Energy: 0.36447781797645085
Energy: 0.35264759291787934
Energy: 0.3293051866413482
Energy: 0.3295205482164867
Energy: 0.34053346641072335
Energy: 0.2980525532023134
Energy: 0.35801441861202826
Energy: 0.33650869552673257
Energy: 0.32966825531910693
Energy: 0.3297560370480056
Energy: 0.3365265086622801
Energy: 0.2966401671777758
Energy: 0.3442872489181703
Energy: 0.3045864565324077
Energy: 0.34724390009767275
Energy: 0.34388591848115924
Energy: 0.30438936472802214
Energy: 0.3445923749577592
Energy: 0.3647241918069098
Energy: 0.33333663857101103
Energy: 0.3478926054602931
Energy: 0.3362015852796051
Energy: 0.2836082575875964
Energy: 0.3486177276080077
Energy: 0.3190979803673988
Energy: 0.3354826747657293
Energy: 0.31431817574957704
Energy: 0.34068035246952977
Energy: 0.335479832014292
Energy: 0.3151978190864668
Energy: 0.34318207031109577
Energy: 0.3328858090046952
Energy: 0.2883368573196122
Energy: 0.32625493226347785
Energy: 0.33282576223641297
Energy: 0.2727162724707048
Energy: 0.314246691634244
Energy: 0.3532730759320557
Energy: 0.32732203927322573
Energy: 0.33769721471713304
Energy: 0.3417001441591026
Energy: 0.28558333431072797
Energy: 0.33884711823028213
Energy: 0.29194205392941674
Energy: 0.31070760557710947
Energy: 0.31032811691631496
Energy: 0.3186700953712282
Energy: 0.3144280490911033
Energy: 0.3200321118571737
Energy: 0.27272951471271123
Energy: 0.3304466522632437
Energy: 0.33156791948009623
Energy: 0.27574516170392915
Energy: 0.27542483046880706
Energy: 0.31561816146046845
Energy: 0.295174131954184
Energy: 0.33591397715430477
Energy: 0.3365534939226515
Energy: 0.2938966199207328
Energy: 0.2862059836386327
Energy: 0.28959040187731866
Energy: 0.2909134173714637
Energy: 0.266727621318474
Energy: 0.31975995818514813
Energy: 0.2909875154362769
Energy: 0.2691648543328505
Energy: 0.29240091630822035
Energy: 0.3308729212103226
Energy: 0.3008625724054665
Energy: 0.32249239171161903
Energy: 0.2923679782693461
Energy: 0.2762916351959149
Energy: 0.3220697780870955
Energy: 0.33174058214332325
Energy: 0.27570895218918284
Energy: 0.27535754467423373
Energy: 0.3313306257839446
Energy: 0.2796949091620024
Energy: 0.2753541750996974
Energy: 0.2703965134819476
Energy: 0.31438539873898974
Energy: 0.3137186757009367
Energy: 0.27135964005807056
Energy: 0.3284282971176762
Energy: 0.31383897019470236
Energy: 0.2731892107332324
Energy: 0.3142028958287904
Energy: 0.3118287018344088
Energy: 0.2716811487368378
Energy: 0.27819572432480044
Energy: 0.2674907688463739
Energy: 0.26817390590646817
Energy: 0.31138414454070246
Energy: 0.3107393078503253
Energy: 0.2682633303286976
Energy: 0.2716780361726631
Energy: 0.3094935599104727
Energy: 0.33658251411338436
Energy: 0.2921847744274062
Energy: 0.30894921259195324
Energy: 0.27135959383540903
Energy: 0.2681449261803242
Energy: 0.30928509645429264
Energy: 0.32986509786756574
Energy: 0.26849472219526804
Energy: 0.26759845196092774
Energy: 0.32981703482430075
Energy: 0.27238550874924905
Energy: 0.267718643031552
Energy: 0.32909719781183155
Energy: 0.3138906709499542
Energy: 0.31395121597204234
Energy: 0.3283806794619921
Energy: 0.31331970531799075
Energy: 0.31285728669137775
Energy: 0.2788244932922088
Energy: 0.3111446696510977
Energy: 0.29632410923533964
Energy: 0.27872091482380196
Energy: 0.31161969340162143
Energy: 0.2754081240468652
Energy: 0.2755382208851531
Energy: 0.3219577992087288
Energy: 0.32278260489179117
Energy: 0.27553970916811993
Energy: 0.2938858156913024
Energy: 0.3195785894640661
Energy: 0.2740724486208942
Energy: 0.29078288726664936
Energy: 0.29078792495052436
Energy: 0.26961034777870224
Energy: 0.2902174315951194
Energy: 0.3129330353815463
Energy: 0.3065876930322409
Energy: 0.29015137949222014
Energy: 0.28979841651371446
Energy: 0.2776922135413054
Energy: 0.29497890204945815
Energy: 0.28998511973056257
Energy: 0.2758807484127833
Energy: 0.28087715148624337
Energy: 0.32274989106797836
Energy: 0.27601537963890865
Energy: 0.29287350605632256
Energy: 0.3317824869132915
Energy: 0.3132257214044844
Energy: 0.32246407307220565
Energy: 0.32547233554016813
Energy: 0.31328792892502966
Energy: 0.2825543638775366
Energy: 0.32038244351042566
Energy: 0.29662280544173253
Energy: 0.30360164119939465
Energy: 0.30503323938942783
Energy: 0.29657833189233823
Energy: 0.3041297151684243
Energy: 0.3070746495276676
Energy: 0.3369987843741436
Energy: 0.33355842380699763
Energy: 0.3289558168489303
Energy: 0.27881922413304117
Energy: 0.333641106935013
Energy: 0.3179525515670726
Energy: 0.31607594224491004
Energy: 0.3446332153581291
Energy: 0.34306200936422526
Energy: 0.3161126359519655
Energy: 0.3380379797258394
Energy: 0.3379319450772077
Energy: 0.3376726278066436
Energy: 0.29303505581038186
Energy: 0.3289875593264566
Energy: 0.33738022631181147
Energy: 0.2748233368016976
Energy: 0.3292463381978866
Energy: 0.35349548060811814
Energy: 0.33100797927904435
Energy: 0.35224416519735474
Energy: 0.3626595824116504
Energy: 0.2916779880267624
Energy: 0.36392789318433866
Energy: 0.3110226484536784
Energy: 0.333287517560224
Energy: 0.33657043857578056
Energy: 0.3110866345136133
Energy: 0.3369373041478617
Energy: 0.32667290366817026

minimum gb energy = 0.266727621318474 eV
minimum distance =  2.66218363969085 Angstroms
sigma value = 67


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

Energy: 0.4229446051206553
Energy: 0.4256189133964553
Energy: 0.41965049377378394
Energy: 0.3555682117529163
Energy: 0.42475050034134504
Energy: 0.4188815927792099
Energy: 0.4370707643807267
Energy: 0.42735946986248735
Energy: 0.4343080905361561
Energy: 0.41957024653733704
Energy: 0.4260691491879591
Energy: 0.42006397362241604
Energy: 0.4298609190657234
Energy: 0.3689169445700057
Energy: 0.41385746609528323
Energy: 0.419639003209974
Energy: 0.3672198234377525
Energy: 0.4127843367238213
Energy: 0.4023018123139147
Energy: 0.4008821530179233
Energy: 0.4077891692377167
Energy: 0.4029077914056333
Energy: 0.40293000007445445
Energy: 0.41707557810332935
Energy: 0.3945014779180544
Energy: 0.43420460199831057
Energy: 0.4377883030892556
Energy: 0.3947097689399125
Energy: 0.42676547330362596
Energy: 0.41808888010377926
Energy: 0.4052615763598109
Energy: 0.3895266030156772
Energy: 0.4055142595222105
Energy: 0.3706332471789423
Energy: 0.38981286583069147
Energy: 0.40438401840006355
Energy: 0.4054219869268968
Energy: 0.3715565954853187
Energy: 0.4126577797454612
Energy: 0.4061570432915815
Energy: 0.3716633295657702
Energy: 0.37283360058584597
Energy: 0.40240731092374316
Energy: 0.3537761318385976
Energy: 0.4013218282267817
Energy: 0.40168784956969206
Energy: 0.3521461961847061
Energy: 0.4009174257674369
Energy: 0.4171509113005579
Energy: 0.3722835102105257
Energy: 0.3717154726829262
Energy: 0.3723744692696519
Energy: 0.3689348868046843
Energy: 0.4189669768604913
Energy: 0.3880249365733967
Energy: 0.37354732410359404
Energy: 0.37482339284354427
Energy: 0.3881358263343889
Energy: 0.3710780883292297
Energy: 0.36911387918820693
Energy: 0.3514367843325217
Energy: 0.402018632192961
Energy: 0.40260569228902837
Energy: 0.3539069566244512
Energy: 0.41171511182081283
Energy: 0.40337927550233943
Energy: 0.3562687763348524
Energy: 0.3741639640116763
Energy: 0.3999519172935233
Energy: 0.35693633991783963
Energy: 0.3712818035702841
Energy: 0.35257700010308857
Energy: 0.35861352882823144
Energy: 0.3563915392924656
Energy: 0.395882512068141
Energy: 0.35911472932304267
Energy: 0.3537993628801076
Energy: 0.35253970132201673
Energy: 0.4165625884526586
Energy: 0.3791449111833538
Energy: 0.3962235652636178
Energy: 0.35282987276254857
Energy: 0.3852099012949808
Energy: 0.3953037770229191
Energy: 0.4096222738568828
Energy: 0.3558117490549575
Energy: 0.357552582460619
Energy: 0.4104259676917895
Energy: 0.3533379664224252
Energy: 0.35307533293465787
Energy: 0.40894761360684384
Energy: 0.4047188329219694
Energy: 0.4022520575621797
Energy: 0.37085561972144265
Energy: 0.3855614976734808
Energy: 0.3999889285284531
Energy: 0.37490506610430147
Energy: 0.35045900557779747
Energy: 0.3940056634259569
Energy: 0.375106407950926
Energy: 0.34835054397491066
Energy: 0.37037415584661465
Energy: 0.37578019472059737
Energy: 0.37326437127400497
Energy: 0.42103459645827956
Energy: 0.37646856238625925
Energy: 0.3719106595512489
Energy: 0.3697151421451516
Energy: 0.40510669462986654
Energy: 0.3583761891605837
Energy: 0.4083860600489123
Energy: 0.35901050068661394
Energy: 0.35782606084830143
Energy: 0.40967480518602095
Energy: 0.3731394681308787
Energy: 0.4071322612857396
Energy: 0.41116678201194873
Energy: 0.37404554283281966
Energy: 0.40182949575877874
Energy: 0.40437973388075477
Energy: 0.40686508597835175
Energy: 0.3852902674461025
Energy: 0.4217858392834769
Energy: 0.40667327573885653
Energy: 0.3979021090249927
Energy: 0.42262298997837927
Energy: 0.4291466641211085
Energy: 0.3577769164795316
Energy: 0.42124366685547066
Energy: 0.41905216176822324
Energy: 0.3556875276526414
Energy: 0.42131284278605385
Energy: 0.41789177758884183
Energy: 0.4051614984339567
Energy: 0.41014443757429553
Energy: 0.41787537942906655
Energy: 0.40305516165295957
Energy: 0.4125309139916637

minimum gb energy = 0.34835054397491066 eV
minimum distance =  2.65485478779057 Angstroms
sigma value = 33


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

Energy: 0.7259456659534455
Energy: 0.4555195264287366
Energy: 0.4950238703092655
Energy: 0.4230080226390419
Energy: 0.45540107418201725
Energy: 0.47552512183338114
Energy: 0.5031510564931626
Energy: 0.44323098887158174
Energy: 0.44726268142274145
Energy: 0.4415529023126374
Energy: 0.4880885470396055
Energy: 0.44821044481486827
Energy: 0.4978477121597978
Energy: 0.44464970595970726
Energy: 0.4464293356740612
Energy: 0.44881144582548954
Energy: 0.4427570632265124
Energy: 0.47200605730984413
Energy: 0.442543233541248
Energy: 0.44470435646244005
Energy: 0.4554639659188125
Energy: 0.44307856973656917
Energy: 0.44930571079930753
Energy: 0.47156514827761215
Energy: 0.4418761595898686
Energy: 0.4093912907058851
Energy: 0.4936458471402933
Energy: 0.44153933779025895
Energy: 0.44585838950903744
Energy: 0.4471055253113703
Energy: 0.40495648703045084
Energy: 0.40788853158765326
Energy: 0.4090501694796388
Energy: 0.40883448401673766
Energy: 0.4075903241495839
Energy: 0.40561432992336055
Energy: 0.44137643749407074
Energy: 0.4482431278201226
Energy: 0.4502097011881656
Energy: 0.44196761018886255
Energy: 0.40867059780815607
Energy: 0.44684221940782576
Energy: 0.44313308779788646
Energy: 0.4132339927805481
Energy: 0.40829062718306197
Energy: 0.4431134206077031
Energy: 0.4103436929119233
Energy: 0.44628390354567676
Energy: 0.4375688970956617
Energy: 0.41058807200056135
Energy: 0.4431275328164
Energy: 0.4128477492553558
Energy: 0.4085146995663754
Energy: 0.4612330497783042
Energy: 0.43715414651531
Energy: 0.4119558970925714
Energy: 0.4083552821151817
Energy: 0.43593144691322744
Energy: 0.409199977745368
Energy: 0.40771479325783533
Energy: 0.43506534919868867
Energy: 0.4094361080505583
Energy: 0.4089134746480897
Energy: 0.40947347667509976
Energy: 0.4369413209648741
Energy: 0.40781796487637106
Energy: 0.41443834205906227
Energy: 0.4078602369522675
Energy: 0.40811207156855317
Energy: 0.40786358401707506
Energy: 0.4195037176434458
Energy: 0.40830579472299494
Energy: 0.4127426730548235
Energy: 0.44853154616311697
Energy: 0.4279304921373795
Energy: 0.4136312288714546
Energy: 0.4123793050910932
Energy: 0.4078098313309787
Energy: 0.3966652353051246
Energy: 0.4120032053994147
Energy: 0.4488614946178992
Energy: 0.3987486958706203
Energy: 0.43703575211458456
Energy: 0.39641957080934626
Energy: 0.3982996962583336
Energy: 0.44854464077325285
Energy: 0.44972211822364055
Energy: 0.39774512418961055
Energy: 0.44394287052032405
Energy: 0.43070089323537525
Energy: 0.41352506661562144
Energy: 0.4163484388837828
Energy: 0.4511958290377446
Energy: 0.41304499772330566
Energy: 0.41607796343897036
Energy: 0.4497640761177097
Energy: 0.49505019313589327
Energy: 0.4215335738539099
Energy: 0.415796519823327
Energy: 0.449399395155188
Energy: 0.41849892172577535
Energy: 0.46324659823494635
Energy: 0.5193416965476377
Energy: 0.4461860132522429
Energy: 0.4493134621770508
Energy: 0.4890067329805375
Energy: 0.4443772159666716
Energy: 0.4790372791707186
Energy: 0.46458512492294324
Energy: 0.446282711508378
Energy: 0.41735182699139217
Energy: 0.41821720514582156
Energy: 0.44651775581913583
Energy: 0.4492031477098513
Energy: 0.4618322779091407
Energy: 0.44545518918869315
Energy: 0.4127820430823125
Energy: 0.46280736367647585
Energy: 0.44619748256290354
Energy: 0.44755463719649036
Energy: 0.4960327564249279
Energy: 0.40802673150903407
Energy: 0.42609286821712067
Energy: 0.44683733760636524
Energy: 0.4501354773050793
Energy: 0.4431033484444777
Energy: 0.44234223224131386
Energy: 0.4438939068117481
Energy: 0.4463716871891579
Energy: 0.4425654299256982
Energy: 0.442967972955153
Energy: 0.4719218343773682
Energy: 0.4418904654818551
Energy: 0.41241672298267595
Energy: 0.4473051409196295
Energy: 0.44204309307144884
Energy: 0.4457748660826142
Energy: 0.44834385903922913
Energy: 0.40620750018817026
Energy: 0.40818217409926655
Energy: 0.4082858410775302
Energy: 0.41085578291355895
Energy: 0.40778282223051904
Energy: 0.4458509651236383
Energy: 0.4412545168265177
Energy: 0.44797336395646964
Energy: 0.44957202144188896
Energy: 0.4417412455101499
Energy: 0.4466949097621967
Energy: 0.446627919343912
Energy: 0.44605804486747924
Energy: 0.412612045861766
Energy: 0.4083662455872898
Energy: 0.44587483449267695
Energy: 0.409745933960808
Energy: 0.44653613181336216
Energy: 0.4372769441500189
Energy: 0.4080888303986092
Energy: 0.4085233704597954
Energy: 0.4131342452733806
Energy: 0.41875256886826867
Energy: 0.4618635938912952
Energy: 0.43742043080807796
Energy: 0.41227118509884975
Energy: 0.4084000067269268
Energy: 0.4129508497187111
Energy: 0.4093356867805529
Energy: 0.40776914131191166
Energy: 0.442818384087425
Energy: 0.43714737722284075
Energy: 0.4106255688567245
Energy: 0.4105533801907193
Energy: 0.40886141027512124
Energy: 0.4077948974920859
Energy: 0.40746586434099924
Energy: 0.4078260820575392
Energy: 0.4079463873351978
Energy: 0.40752943695488253
Energy: 0.4164260524223032
Energy: 0.408046888592208
Energy: 0.4107449348269545
Energy: 0.4484715086035932
Energy: 0.40804005553157124
Energy: 0.4115007065102966
Energy: 0.41261135548477085
Energy: 0.40792769714451654
Energy: 0.3977560030861076
Energy: 0.4485270097673457
Energy: 0.44871094001404965
Energy: 0.3981604115640912
Energy: 0.43718000238172516
Energy: 0.39638128837445175
Energy: 0.39818810588854886
Energy: 0.4490226775482968
Energy: 0.44972803473795797
Energy: 0.3988131845604173
Energy: 0.4446071970214779
Energy: 0.4283924521545371
Energy: 0.4133458873820118
Energy: 0.45348293825071856
Energy: 0.4466675702400538
Energy: 0.4127533220302362
Energy: 0.4158041059281642
Energy: 0.45079166068055054
Energy: 0.5198486838442339
Energy: 0.416494918101602
Energy: 0.41583973795326545
Energy: 0.4466717395637342
Energy: 0.3983765286972614
Energy: 0.4521896856674237
Energy: 0.5170578471562473
Energy: 0.44238530255844016
Energy: 0.4126521829745998
Energy: 0.444464410068618
Energy: 0.4457176222905148
Energy: 0.4777759552066055
Energy: 0.44441683720539754
Energy: 0.44773574454535586
Energy: 0.4183875698387343
Energy: 0.41682981142180525
Energy: 0.4479983420741809
Energy: 0.4133381110046662

minimum gb energy = 0.39638128837445175 eV
minimum distance =  2.65693150068449 Angstroms
sigma value = 41


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

Energy: 0.681557050865375
Energy: 0.5408093982596127
Energy: 0.5377347419243748
Energy: 0.4744357641963064
Energy: 0.5406528185574436
Energy: 0.4764152138381424
Energy: 0.5646872174859892
Energy: 0.5030668652581535
Energy: 0.4841633086185109
Energy: 0.500505738881093
Energy: 0.5019617707383219
Energy: 0.4836258292780435
Energy: 0.576015743699587
Energy: 0.47358871607476233
Energy: 0.4720830810158689
Energy: 0.5002654820220512
Energy: 0.4960504553845612
Energy: 0.47172678967539766
Energy: 0.5036784747944313
Energy: 0.4736868902322053
Energy: 0.47223063584543523
Energy: 0.5038506613705649
Energy: 0.4752439199951347
Energy: 0.4925083894965122
Energy: 0.49216486991805297
Energy: 0.4851015660611973
Energy: 0.47410292507912993
Energy: 0.49197576621910016
Energy: 0.5033243691381696
Energy: 0.4737088264307435
Energy: 0.5107733043610472
Energy: 0.5098293775430831
Energy: 0.473715226226576
Energy: 0.4746395657850201
Energy: 0.5217702800104985
Energy: 0.47360594473082995
Energy: 0.4914334028751161
Energy: 0.4844061203783972
Energy: 0.4747193623347536
Energy: 0.4916535699987622
Energy: 0.5053091830180704
Energy: 0.4750721375170292
Energy: 0.49335307756737895
Energy: 0.4743477549994789
Energy: 0.4738496763375755
Energy: 0.49417618109587974
Energy: 0.4753733457191801
Energy: 0.4762719056319763
Energy: 0.5381785360692998
Energy: 0.4743340306250213
Energy: 0.4737220292318249
Energy: 0.46483605174034615
Energy: 0.4846498269471565
Energy: 0.47346838802901553
Energy: 0.5096459433466858
Energy: 0.4954771166511512
Energy: 0.4748359248799803
Energy: 0.4763734262180617
Energy: 0.4919225234443396
Energy: 0.472950155437287
Energy: 0.5044153949170572
Energy: 0.482419090832109
Energy: 0.4752828999468366
Energy: 0.47578426507820554
Energy: 0.46433015550091195
Energy: 0.475420931579056
Energy: 0.5650174168904758
Energy: 0.46398216846709306
Energy: 0.46385389411114786
Energy: 0.5653225437010043
Energy: 0.4690553421867243
Energy: 0.5000314059653188
Energy: 0.57866790881611
Energy: 0.4963968427801398
Energy: 0.4819973390640934
Energy: 0.5006851146795602
Energy: 0.49186426562405894
Energy: 0.4828473399880694
Energy: 0.46635939680810856
Energy: 0.5003108869152074
Energy: 0.4696438511368908
Energy: 0.46630460981833366
Energy: 0.4999641594623449
Energy: 0.4643587731333202

minimum gb energy = 0.46385389411114786 eV
minimum distance =  2.66610874080919 Angstroms
sigma value = 11


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

Energy: 0.5403829725171961
Energy: 0.6208699308622656
Energy: 0.6026703912042276
Energy: 0.5708834582488268
Energy: 0.576269401817072
Energy: 0.5625502764325273
Energy: 0.6514073871044631
Energy: 0.547530046767997
Energy: 0.5530418031123526
Energy: 0.5699634114087754
Energy: 0.5475996485823471
Energy: 0.5688991658333977
Energy: 0.6147670500757957
Energy: 0.5388787632244013
Energy: 0.5502653431608918
Energy: 0.5619387195506232
Energy: 0.5388599908723797
Energy: 0.5574080124938372
Energy: 0.5710384181763636
Energy: 0.5388309276073052
Energy: 0.5394250728228123
Energy: 0.5519925136214272
Energy: 0.540733026856204
Energy: 0.565384527549831
Energy: 0.5608811541642159
Energy: 0.5476430655212494
Energy: 0.5567771038752725
Energy: 0.565056491647229
Energy: 0.5469726700847103
Energy: 0.5673085741889783
Energy: 0.5653175297433447
Energy: 0.5552537850302496
Energy: 0.5584378329904549
Energy: 0.5486769773401213
Energy: 0.5627578010749502
Energy: 0.5598335167284045
Energy: 0.5607834159478637
Energy: 0.5572673659749523
Energy: 0.5574980424138507
Energy: 0.5594679545138859
Energy: 0.5536660194676435
Energy: 0.5616972114780889
Energy: 0.559474043437415
Energy: 0.555669616046659
Energy: 0.5679791969892152
Energy: 0.5471106440900834
Energy: 0.5653486763414568
Energy: 0.5673446471506436
Energy: 0.5483512891187527
Energy: 0.5655166676928671
Energy: 0.5656174617892548
Energy: 0.5385269821373264
Energy: 0.5612113460907889
Energy: 0.5413376487990939
Energy: 0.5472294514184869
Energy: 0.5652428903496399
Energy: 0.5659302528660645
Energy: 0.5510230715423116
Energy: 0.561534223599017
Energy: 0.5414164797587795
Energy: 0.5597047611703226
Energy: 0.5520500799620525
Energy: 0.5681742131985259
Energy: 0.5471248631409621
Energy: 0.5577620572804672
Energy: 0.5575222016223402
Energy: 0.549970284063184
Energy: 0.5624691243960558
Energy: 0.563036662217733
Energy: 0.5504249569579536
Energy: 0.5493486177965141
Energy: 0.5626456464291877
Energy: 0.5468322099992549
Energy: 0.5649073585247139
Energy: 0.5640296303538432
Energy: 0.5467433360687415
Energy: 0.5603543861411059
Energy: 0.5606054499847692
Energy: 0.5566510439524854
Energy: 0.5626440382448897
Energy: 0.5652682956517434
Energy: 0.5398275567332839
Energy: 0.5817867281971897
Energy: 0.557697532249636
Energy: 0.5391682078681058
Energy: 0.5644932461301332
Energy: 0.563782764931448
Energy: 0.5395493355167957
Energy: 0.5612985250162122
Energy: 0.562795866065299
Energy: 0.5394720003398771
Energy: 0.5647746899992627
Energy: 0.5639408994371606
Energy: 0.5404374213120734
Energy: 0.5635087395630689
Energy: 0.5394848376803666
Energy: 0.5388980951182554
Energy: 0.5574425153511272
Energy: 0.5647742975729944
Energy: 0.5390889726316427
Energy: 0.5580121953775319
Energy: 0.5580231107634356
Energy: 0.5858771853699759
Energy: 0.5863128670320779
Energy: 0.5810761023220251
Energy: 0.5661072701510408
Energy: 0.5854327870047523
Energy: 0.5628527844991171
Energy: 0.5505690387711302
Energy: 0.5571795085284545
Energy: 0.5647921263225864
Energy: 0.5507346949572361
Energy: 0.5545962930650692
Energy: 0.5639972082384572
Energy: 0.5720603346216739
Energy: 0.5400289398726703
Energy: 0.5401685171474429
Energy: 0.5598304965702786
Energy: 0.5401161063310267
Energy: 0.565681127792261
Energy: 0.6013444711763145
Energy: 0.5396869555704511
Energy: 0.5593815177882553
Energy: 0.559087119622853
Energy: 0.5486999074581773
Energy: 0.565658434246325
Energy: 0.5537707083044499
Energy: 0.561933231503948
Energy: 0.5645830872870293
Energy: 0.5701262662765733
Energy: 0.5584340384479748
Energy: 0.5639664002983025
Energy: 0.5442124697330223
Energy: 0.5572891178892225
Energy: 0.5562278672322021
Energy: 0.5383529335709307
Energy: 0.5572706959104557
Energy: 0.5635253521254063
Energy: 0.6025238879358189
Energy: 0.563249236443452
Energy: 0.5565611255286574
Energy: 0.5534419324184211
Energy: 0.5580741326603545
Energy: 0.564704901366611
Energy: 0.6040492022479802
Energy: 0.5617414788477662
Energy: 0.5573904558684043
Energy: 0.5853187262812317
Energy: 0.5608308420968556
Energy: 0.5595556303504817
Energy: 0.5913828465352257
Energy: 0.5548297520109255
Energy: 0.5396561508080846
Energy: 0.5544984834292475
Energy: 0.5399277814466668
Energy: 0.5637720103344722
Energy: 0.6042911525479675
Energy: 0.5391609859908585
Energy: 0.5392140308509565
Energy: 0.5605320030290128
Energy: 0.5410504267684155
Energy: 0.5633158430423976
Energy: 0.5905496727009804
Energy: 0.5399087217229851
Energy: 0.56183327209055
Energy: 0.560654994926873
Energy: 0.550135571492947
Energy: 0.5634265266501447
Energy: 0.5900036643128621
Energy: 0.5546535879028687
Energy: 0.5531775688882569
Energy: 0.5732773777614789
Energy: 0.5655809848466294
Energy: 0.5581278828463427
Energy: 0.6518271489025476
Energy: 0.546951577673361
Energy: 0.5599932529345959
Energy: 0.5574595717932361
Energy: 0.5467628405997165
Energy: 0.5633819908458176
Energy: 0.54128423553053
Energy: 0.5524749813788855
Energy: 0.5629476838007578
Energy: 0.5401825384565615
Energy: 0.5512462521308472
Energy: 0.5667460049179317

minimum gb energy = 0.5383529335709307 eV
minimum distance =  2.6562717866969 Angstroms
sigma value = 57


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

Energy: 0.7813581143111662
Energy: 0.5570808670241197
Energy: 0.5250306062562933
Energy: 0.5657770561571553
Energy: 0.5384332100302065
Energy: 0.5252861617902428
Energy: 0.6028669753357706
Energy: 0.5397755317829506
Energy: 0.5374814236801291
Energy: 0.5390679667357461
Energy: 0.5388112202403058
Energy: 0.5370094678556034
Energy: 0.5573670119293617
Energy: 0.5354920698023848
Energy: 0.5359965253570727
Energy: 0.5997766167373718
Energy: 0.5495055521913739
Energy: 0.5385237847284151
Energy: 0.5498126179043406
Energy: 0.539000185742036
Energy: 0.5371005019798332
Energy: 0.5496228212219825
Energy: 0.5482154511056848
Energy: 0.5372264119576399
Energy: 0.5491346954436315
Energy: 0.5392730918914738
Energy: 0.5380474913659004
Energy: 0.5388439357379635
Energy: 0.5403741439529747
Energy: 0.5368770170368029
Energy: 0.5502302104735125
Energy: 0.5582835657505067
Energy: 0.5376756783168946
Energy: 0.5395590049226408
Energy: 0.5387724024384989
Energy: 0.5376719439160078
Energy: 0.5525062274705534
Energy: 0.5675214091419029
Energy: 0.5252279710270926
Energy: 0.5375899105384766
Energy: 0.5688921989760046
Energy: 0.557274500870869
Energy: 0.6038213814453576
Energy: 0.5395730464570963
Energy: 0.5374564983937825
Energy: 0.5410111341087526
Energy: 0.5382624876664834
Energy: 0.536912964155643
Energy: 0.5245578326709548
Energy: 0.5400274029074066
Energy: 0.5259627324034413
Energy: 0.5278420123837653
Energy: 0.5497778294903934
Energy: 0.5255296744929066
Energy: 0.5528717606973113
Energy: 0.5394872255047468
Energy: 0.5259037217773358
Energy: 0.527412229378324
Energy: 0.5489588406570263
Energy: 0.5255468644020392
Energy: 0.603551520325608
Energy: 0.5491887937413298
Energy: 0.5382021867064357
Energy: 0.5387826791721874
Energy: 0.5377515565876743
Energy: 0.5372713476946802
Energy: 0.5506478346560489
Energy: 0.5351838167477371
Energy: 0.5491849057023217
Energy: 0.5501093919533947
Energy: 0.5398015671059546
Energy: 0.5384831555608005
Energy: 0.5531907370590042
Energy: 0.5381015766248141
Energy: 0.5381974504595755
Energy: 0.5401269911200328
Energy: 0.5392565551244408
Energy: 0.5368013255580447
Energy: 0.5500112156693444
Energy: 0.6005899453820297
Energy: 0.5496551951748176
Energy: 0.5389143743789164
Energy: 0.5528516341708558
Energy: 0.5382228470894826
Energy: 0.5609024263896231
Energy: 0.5252165358964872
Energy: 0.5371429826402323
Energy: 0.5589718491467034
Energy: 0.566557190175161
Energy: 0.5369501249009347
Energy: 0.5981750384051303
Energy: 0.5251580946678682
Energy: 0.5247687372086969
Energy: 0.5498111424385793
Energy: 0.5671709212757517
Energy: 0.5378349297796674
Energy: 0.5253467855601625
Energy: 0.5396904030883983
Energy: 0.5378607426615769
Energy: 0.524647986384313
Energy: 0.5424720055107319
Energy: 0.5375120332236533

minimum gb energy = 0.5245578326709548 eV
minimum distance =  2.66980754149073 Angstroms
sigma value = 9


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

Energy: 0.97017294894309
Energy: 0.6138389395700911
Energy: 0.6473161961961752
Energy: 0.6062899538073052
Energy: 0.602835146274991
Energy: 0.646695455320903
Energy: 0.6410115650865438
Energy: 0.5982256523336917
Energy: 0.5853657498627253
Energy: 0.5829499404817973
Energy: 0.5980512249010503
Energy: 0.5876863648195475
Energy: 0.6068806442195859
Energy: 0.5901790273598319
Energy: 0.5926042518477936
Energy: 0.607337519151047
Energy: 0.5830130218406285
Energy: 0.5906877406946188
Energy: 0.5917779250553995
Energy: 0.5935416235135056
Energy: 0.5884187199152889
Energy: 0.5930230388868287
Energy: 0.5834228711243288
Energy: 0.592788703766561
Energy: 0.5830753615898756
Energy: 0.5725130895670538
Energy: 0.5734610967208077
Energy: 0.5697247136553455
Energy: 0.580082201322441
Energy: 0.5700932282548283
Energy: 0.5843144867161707
Energy: 0.5835364416251608
Energy: 0.5817858973285959
Energy: 0.5899637498152768
Energy: 0.5853430034227751
Energy: 0.5815648747970829
Energy: 0.589094781971126
Energy: 0.5817048436129494
Energy: 0.5972950453865421
Energy: 0.5895466076075204
Energy: 0.5843299500172222
Energy: 0.6116953179480117
Energy: 0.5994598059951032
Energy: 0.5838798079507375
Energy: 0.5843915514805265
Energy: 0.5924866661445115
Energy: 0.5820214769168095
Energy: 0.5848862973787052
Energy: 0.6115658963905775
Energy: 0.5732818969883691
Energy: 0.5750386521082531
Energy: 0.6026150012201816
Energy: 0.5810238150054599
Energy: 0.5905733405235043
Energy: 0.5989803697418541
Energy: 0.5731410042987096
Energy: 0.5753435229386751
Energy: 0.602379319181073
Energy: 0.5806739078030156
Energy: 0.5697923675385792
Energy: 0.6001505142320461
Energy: 0.5798764969851803
Energy: 0.5877407128421616
Energy: 0.5827539440297512
Energy: 0.5818070966478928
Energy: 0.5774711803753592
Energy: 0.6053535639094985
Energy: 0.5885774084669869
Energy: 0.589074886424202
Energy: 0.5959980280139906
Energy: 0.5839626127771169
Energy: 0.5870737566118018
Energy: 0.6158624453158352
Energy: 0.5840633538370079
Energy: 0.5854766528926704
Energy: 0.5853525187514129
Energy: 0.5832585041378342
Energy: 0.5805521540884582
Energy: 0.5955171107623174
Energy: 0.5888242609720195
Energy: 0.5912886463629891
Energy: 0.5936289141317115
Energy: 0.5861974007287911
Energy: 0.5925421957473525
Energy: 0.5997269159902573
Energy: 0.5791728650674546
Energy: 0.5894790310232862
Energy: 0.5907897350367001
Energy: 0.579160382684633
Energy: 0.5721837591399697
Energy: 0.5900977610024596
Energy: 0.5937015409259986
Energy: 0.5809986885742509
Energy: 0.590638107288561
Energy: 0.5993265342892269
Energy: 0.580388369463601
Energy: 0.6025819642109231
Energy: 0.5898072677912043
Energy: 0.5928813924750125
Energy: 0.6029886549860454
Energy: 0.5924885068010348
Energy: 0.5918221105729347
Energy: 0.6726615936034819
Energy: 0.5846750650379378
Energy: 0.5731770825476967
Energy: 0.5747024014485786
Energy: 0.5933939891470374
Energy: 0.5877487661523343
Energy: 0.5974536180888776
Energy: 0.5944836737159188
Energy: 0.5898431225481421
Energy: 0.5965462551368714
Energy: 0.5830138508517932
Energy: 0.5873065509033657
Energy: 0.5908983825419398
Energy: 0.5945438108070764
Energy: 0.5909602445976746
Energy: 0.5699435590836455
Energy: 0.5953595845728571
Energy: 0.5871638790124013
Energy: 0.5932046650314989
Energy: 0.5980631889422736
Energy: 0.5851408331892735
Energy: 0.581430256710309
Energy: 0.59688663655866
Energy: 0.5893495210423456

minimum gb energy = 0.5697247136553455 eV
minimum distance =  2.62916101342845 Angstroms
sigma value = 27


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

Energy: 0.5639451422150203
Energy: 0.8584407989300304
Energy: 0.5411708539089755
Energy: 0.5626691545008605
Energy: 0.8568772354532487
Energy: 0.5421438820533343
Energy: 0.608561955561181
Energy: 0.5499208414592536
Energy: 0.5636848301558268
Energy: 0.5522339265916759
Energy: 0.5494557616660682
Energy: 0.5646103542252455
Energy: 0.5636613816775281
Energy: 0.5516562109590796
Energy: 0.5504049621723452
Energy: 0.5632179347027894
Energy: 0.5492206789303762
Energy: 0.5504539751251248
Energy: 0.5498631677433296
Energy: 0.5463308289867429
Energy: 0.545640210138651
Energy: 0.5501303019171162
Energy: 0.5525238548860548
Energy: 0.5463455087083139
Energy: 0.5801295740335538
Energy: 0.547188760427947
Energy: 0.5470191920827543
Energy: 0.5802347439920361
Energy: 0.5488718428253425
Energy: 0.5484541851769383
Energy: 0.5607781534180698
Energy: 0.5529167807361756
Energy: 0.5521506737692898
Energy: 0.5527814161484293
Energy: 0.5518272027329426
Energy: 0.5517262361734688
Energy: 0.5498592000254149
Energy: 0.5449322114244363
Energy: 0.543117997564875
Energy: 0.5505382192819342
Energy: 0.5404317522742164
Energy: 0.5422336139839841
Energy: 0.5526433365910383
Energy: 0.5600991279127447
Energy: 0.5464339122478225
Energy: 0.549679924043806
Energy: 0.561429493977451
Energy: 0.5550807528079829
Energy: 0.6327978713299172
Energy: 0.5518470839499919
Energy: 0.5499819436901414
Energy: 0.5455209513385902
Energy: 0.5520255052260123
Energy: 0.5499396453611197
Energy: 0.6360482780025815
Energy: 0.5510283239762158
Energy: 0.5506960839517985
Energy: 0.5461165270662174
Energy: 0.5495349900708372
Energy: 0.5482770984684194
Energy: 0.5524362528648156
Energy: 0.5461479652103871
Energy: 0.5526501923148955
Energy: 0.5498671525159949
Energy: 0.5523728913279194
Energy: 0.550856108556839
Energy: 0.5509812128142099
Energy: 0.5546929093793439
Energy: 0.5508594957691483
Energy: 0.5503073467307178
Energy: 0.5518971757277048
Energy: 0.5512760465518896
Energy: 0.5675996607962936
Energy: 0.5499268878097923
Energy: 0.544749155822114
Energy: 0.5667564845168812
Energy: 0.5485984589546954
Energy: 0.5447041995852753
Energy: 0.5659207235194728
Energy: 0.550905803436132
Energy: 0.5509721201406674
Energy: 0.5419314495871537
Energy: 0.5499794061723068
Energy: 0.5412248433513772
Energy: 0.5540070709317659
Energy: 0.5456394100224682
Energy: 0.5492126569812932
Energy: 0.5499031501771657
Energy: 0.5460775459801709
Energy: 0.5517623720775496
Energy: 0.5601504632248177
Energy: 0.5509148749215355
Energy: 0.5498500165526337
Energy: 0.5534000500275563
Energy: 0.5519562812483958
Energy: 0.5496542874085387
Energy: 0.5808557673055251
Energy: 0.5556722122473396
Energy: 0.5460841385297854
Energy: 0.5774727232996042
Energy: 0.549841751298499
Energy: 0.5573358332431128
Energy: 0.5635126254365139
Energy: 0.5528593112961351
Energy: 0.5523044244245959
Energy: 0.55256578153165
Energy: 0.5515933842710721
Energy: 0.554713700421271
Energy: 0.5466925491478464
Energy: 0.5409421167601713
Energy: 0.5410102393524502
Energy: 0.547239557392529
Energy: 0.5409915246125782
Energy: 0.5409418159684865
Energy: 0.5523802224674271
Energy: 0.5410146864791069
Energy: 0.540851790730792
Energy: 0.5532458504291912
Energy: 0.5410970544106386
Energy: 0.5409905707813315
Energy: 0.6084304560990942
Energy: 0.5531961681030358
Energy: 0.5540174363753658
Energy: 0.5525393274505795
Energy: 0.5523491941540095
Energy: 0.5456914194837222
Energy: 0.5665612333804457
Energy: 0.5522894384857127
Energy: 0.5506726755633637
Energy: 0.5753034426228618
Energy: 0.5525478779315175
Energy: 0.55099949449882
Energy: 0.5511815982455437
Energy: 0.5510731399553118
Energy: 0.5502489455893059
Energy: 0.5486176713321683
Energy: 0.5516258965475839
Energy: 0.550893771931375
Energy: 0.5527521952380031
Energy: 0.5551858677023757
Energy: 0.5508049476302851
Energy: 0.5493987527760952
Energy: 0.546368349346304
Energy: 0.5487113311116679
Energy: 0.5658213708269074
Energy: 0.5509273261434691
Energy: 0.549816660518984
Energy: 0.542044979405064
Energy: 0.5494012771391159
Energy: 0.5412315605712107

minimum gb energy = 0.5404317522742164 eV
minimum distance =  2.64935280454574 Angstroms
sigma value = 19


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

Energy: 0.5984911682347572
Energy: 0.5492762108331718
Energy: 0.5521365848906751
Energy: 0.5672384717030954
Energy: 0.5518088973670949
Energy: 0.5520124064524515
Energy: 0.6005644714952298
Energy: 0.5639422318545881
Energy: 0.5600127856266989
Energy: 0.5801087544857549
Energy: 0.5664833448481759
Energy: 0.5602690667212604
Energy: 0.5778413561908116
Energy: 0.5594686734139607
Energy: 0.561215617359589
Energy: 0.5700903172089778
Energy: 0.5595118329393237
Energy: 0.5604088662456159
Energy: 0.5765346363803241
Energy: 0.5664300456885631
Energy: 0.5666500251689107
Energy: 0.5626600843739389
Energy: 0.5668601941447163
Energy: 0.5668777153972773
Energy: 0.5820028782506098
Energy: 0.562939005849887
Energy: 0.561591922603008
Energy: 0.564438551401972
Energy: 0.575720237395306
Energy: 0.5609985194020229
Energy: 0.5844557753388936
Energy: 0.5794921090535965
Energy: 0.5799096425943892
Energy: 0.5769941236579997
Energy: 0.5674187860287571
Energy: 0.5796160799053548
Energy: 0.5786000359726029
Energy: 0.5629072711405134
Energy: 0.56169513346413
Energy: 0.5748894427937641
Energy: 0.5656610550046078
Energy: 0.5601713682180917
Energy: 0.5764298704427436
Energy: 0.5651061432400798
Energy: 0.5588620699918713
Energy: 0.562430750045106
Energy: 0.5662274223472339
Energy: 0.5640923392553403
Energy: 0.5758382641200039
Energy: 0.5593971636650366
Energy: 0.5637440670645794
Energy: 0.5708487137565801
Energy: 0.5616500294226604
Energy: 0.5641940690173818
Energy: 0.5814163344686305
Energy: 0.5659642230485706
Energy: 0.5653750701200604
Energy: 0.5722706936471825
Energy: 0.5672151075664336
Energy: 0.5656861306772312
Energy: 0.5779115124656601
Energy: 0.5538917232039089
Energy: 0.5531221703019121
Energy: 0.5752570964287862
Energy: 0.5557505139003922
Energy: 0.5538442829848659
Energy: 0.5727685033486749
Energy: 0.5647615373936384
Energy: 0.552297318813258
Energy: 0.5527424241419684
Energy: 0.558731466457283
Energy: 0.5526957431747961
Energy: 0.5904872020668509
Energy: 0.5588945279988692
Energy: 0.5613904398074252
Energy: 0.5595875380428726
Energy: 0.559680037032296
Energy: 0.5626042122346698
Energy: 0.6017696608878378
Energy: 0.571095210220703
Energy: 0.5702350644737922
Energy: 0.5514479705297072
Energy: 0.5719985372059073
Energy: 0.5647273595960459
Energy: 0.5726152436243521
Energy: 0.5530417122247157
Energy: 0.5574513486760025
Energy: 0.5579268711864133
Energy: 0.5527273828009776
Energy: 0.5570493916176066
Energy: 0.5824129899017707
Energy: 0.5522542527418677
Energy: 0.5524327863841461
Energy: 0.5585690629230701
Energy: 0.5571527880550211
Energy: 0.5525326376984316
Energy: 0.5756728867475187
Energy: 0.5631426854085912
Energy: 0.5655138783354801
Energy: 0.552539877322451
Energy: 0.5661405646334616
Energy: 0.566501167022759
Energy: 0.5885361766247695
Energy: 0.5518752851983654
Energy: 0.5520286119517344
Energy: 0.5542827207901503
Energy: 0.5499700144618083
Energy: 0.552011649865879
Energy: 0.5836763016694263
Energy: 0.5668985588160215
Energy: 0.5669214071874409
Energy: 0.5719350457370967
Energy: 0.5586589296794299
Energy: 0.5569391680237842
Energy: 0.5690861579033342
Energy: 0.5540619503166234
Energy: 0.553894526956908
Energy: 0.5540576915670286
Energy: 0.5542663198858027
Energy: 0.5586510252735913
Energy: 0.5618842814414434
Energy: 0.5519759944388654
Energy: 0.5529526101020895
Energy: 0.560105711207414
Energy: 0.5494926793786699
Energy: 0.5545305253014664
Energy: 0.5594338653747397
Energy: 0.5521680406953929
Energy: 0.552039187822888
Energy: 0.5614024919290896
Energy: 0.5508098853105106
Energy: 0.5523915616218259
Energy: 0.574974566739283
Energy: 0.5730497314258495
Energy: 0.5746225092084493
Energy: 0.5718981512796099
Energy: 0.5711273738162731
Energy: 0.5585128578582003
Energy: 0.5885004865604061
Energy: 0.5521481328572201
Energy: 0.5560600336647813
Energy: 0.5788930407552315
Energy: 0.5492783530165511
Energy: 0.558261843817254
Energy: 0.5862383745152231
Energy: 0.5504383644045906
Energy: 0.5539702841065989
Energy: 0.5618946139130309
Energy: 0.5465993327747084
Energy: 0.5544016845088039
Energy: 0.581509500268326
Energy: 0.5596664538253242
Energy: 0.5597861642883223
Energy: 0.5596672286572701
Energy: 0.5626722303030899
Energy: 0.5591261827397004
Energy: 0.5775912158796827
Energy: 0.5597364935933615
Energy: 0.5636441759185312
Energy: 0.568434445184995
Energy: 0.5593805937635844
Energy: 0.563301746972904
Energy: 0.5779298908377778
Energy: 0.5599189550335054
Energy: 0.5596554889622056
Energy: 0.5594842934323138
Energy: 0.5605294152361957
Energy: 0.5595328359124815
Energy: 0.5866618048806083
Energy: 0.5812329980931902
Energy: 0.5898781784778562
Energy: 0.5517109464847584
Energy: 0.5850702320271401
Energy: 0.5609787843397082

minimum gb energy = 0.5465993327747084 eV
minimum distance =  2.63591222182202 Angstroms
sigma value = 101


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

Energy: 0.844996520227687
Energy: 0.5460814767549937
Energy: 0.5485667088618074
Energy: 0.5351204365797645
Energy: 0.5462295889611842
Energy: 0.5305225825444211
Energy: 0.5681925791213778
Energy: 0.5449143935222891
Energy: 0.5446772053166149
Energy: 0.5518211580327324
Energy: 0.544478374419165
Energy: 0.5441141201089498
Energy: 0.5706716357089966
Energy: 0.5390838123072174
Energy: 0.542026870688796
Energy: 0.5419625636632116
Energy: 0.5404424625838589
Energy: 0.5426049395391797
Energy: 0.5624732315177089
Energy: 0.5437377917896807
Energy: 0.5437745918183834
Energy: 0.5476559354624614
Energy: 0.543241242764749
Energy: 0.5437252232985645
Energy: 0.5533090846425007
Energy: 0.5417955038405456
Energy: 0.5438113121940499
Energy: 0.5483026431629605
Energy: 0.5603466652547173
Energy: 0.546939388302545
Energy: 0.551150505572906
Energy: 0.5456376883880016
Energy: 0.5430435907229474
Energy: 0.5565877878258333
Energy: 0.551603884487684
Energy: 0.5459025623729162
Energy: 0.5615905960116898
Energy: 0.5375615176682647
Energy: 0.5391731689416461
Energy: 0.5572500874956292
Energy: 0.5383193143772118
Energy: 0.5422313455054006
Energy: 0.5620120584143443
Energy: 0.5415646006927574
Energy: 0.5418073154142409
Energy: 0.5549276651199101
Energy: 0.5479490090964713
Energy: 0.5565875120097705
Energy: 0.5431025888143232
Energy: 0.5439567939154146
Energy: 0.5408713371833692
Energy: 0.5409452203138455
Energy: 0.539605984431075
Energy: 0.5391118430150668
Energy: 0.5510865831032712
Energy: 0.5519417031255565
Energy: 0.5505462447522859
Energy: 0.5443666687243701
Energy: 0.542277847457727
Energy: 0.5505571212751037
Energy: 0.568563141750152
Energy: 0.5312741757304266
Energy: 0.5388901798298366
Energy: 0.5587753897020865
Energy: 0.5315942478431734
Energy: 0.5358054531653863
Energy: 0.5686355213739376
Energy: 0.5397305559898299
Energy: 0.5467926019575798
Energy: 0.5412721781103996
Energy: 0.5414154442660583
Energy: 0.5473024664482997
Energy: 0.5532291187658509
Energy: 0.5392159265487495
Energy: 0.5442336149267489
Energy: 0.5394805988726443
Energy: 0.5394339847983604
Energy: 0.5400674064886007
Energy: 0.5580886699831926
Energy: 0.5465436473482295
Energy: 0.5451706888230413
Energy: 0.5410450386872842
Energy: 0.5435286436699676
Energy: 0.5432273700579869
Energy: 0.5682321728081449
Energy: 0.5402612043520557
Energy: 0.5400106079907703
Energy: 0.5426608970904055
Energy: 0.5405306850120961
Energy: 0.5409964175367967
Energy: 0.5678798486810049
Energy: 0.5433518342292868
Energy: 0.5447567868357874
Energy: 0.544909270306615
Energy: 0.5448051535456631
Energy: 0.5446144489950168
Energy: 0.5493315374574865
Energy: 0.5659148864567002
Energy: 0.5474190746403884
Energy: 0.5299796989148005
Energy: 0.5514204820000517
Energy: 0.531390907903262
Energy: 0.5939791860082472
Energy: 0.5457651079980208
Energy: 0.5442111743305195
Energy: 0.5482507509945813
Energy: 0.5477267228671453
Energy: 0.5464676560422828
Energy: 0.5680998526802999
Energy: 0.5415936808857034
Energy: 0.5415894348445329
Energy: 0.539491267290943
Energy: 0.5435206654051778
Energy: 0.5426589712207716
Energy: 0.5614270013430849
Energy: 0.5428243576341089
Energy: 0.5426027589837954
Energy: 0.5491289488778421
Energy: 0.5425548593327577
Energy: 0.5431280962714713
Energy: 0.5548687150952997
Energy: 0.5398453179468827
Energy: 0.5425289105272662
Energy: 0.5487233275723185
Energy: 0.5461396381478005
Energy: 0.5444164843081216
Energy: 0.552179791039297
Energy: 0.5445735946340815
Energy: 0.5437846666834677
Energy: 0.544664639305529
Energy: 0.5423380667596605
Energy: 0.5428507860644527
Energy: 0.5570491424210681
Energy: 0.5405838083433437
Energy: 0.5413982196242771
Energy: 0.5522368124540197
Energy: 0.5405799961128281
Energy: 0.5430569364818117
Energy: 0.5683133967167642
Energy: 0.5409771927072939
Energy: 0.5415668360429724
Energy: 0.5516288149159206
Energy: 0.5425172255026132
Energy: 0.5471985608172967
Energy: 0.5492956453544503
Energy: 0.5451858557553872
Energy: 0.5439237558296656
Energy: 0.5416560578962449
Energy: 0.5399204086571983
Energy: 0.5428272925083337
Energy: 0.5437273559366665
Energy: 0.5477534277159027
Energy: 0.5456218860611606
Energy: 0.5407370533608395
Energy: 0.5416428192365361
Energy: 0.544612373016511
Energy: 0.5660070700870888
Energy: 0.5318181781273249
Energy: 0.5320590546733184
Energy: 0.5494639487096216
Energy: 0.5324581507060994
Energy: 0.5330268268266264
Energy: 0.5683565958371606
Energy: 0.5307617859802426
Energy: 0.5376871405915099
Energy: 0.5436265283102228
Energy: 0.5315243808052202
Energy: 0.5444271142743717
Energy: 0.5569801453406857
Energy: 0.5436780707222733
Energy: 0.5438610309731978
Energy: 0.5386046094798684
Energy: 0.5434000478514508
Energy: 0.542780596202471
Energy: 0.5547476924240234
Energy: 0.5460340950183454
Energy: 0.544499911902096
Energy: 0.5392369945396308
Energy: 0.5483634753594636
Energy: 0.5435667379702722
Energy: 0.5684170784833501
Energy: 0.5432104181520971
Energy: 0.5427179697230348
Energy: 0.5428043452824578
Energy: 0.5400766944463825
Energy: 0.5432632215980807
Energy: 0.5685954481376693
Energy: 0.5458666892408802
Energy: 0.5447471272512256
Energy: 0.5394567713179613
Energy: 0.541442247436115
Energy: 0.544848724501407
Energy: 0.5518780368958905
Energy: 0.5459999470328493
Energy: 0.5325011804411817
Energy: 0.5285127791324006
Energy: 0.5401426079601754
Energy: 0.5314447099311345

minimum gb energy = 0.5285127791324006 eV
minimum distance =  2.6253507991902 Angstroms
sigma value = 33


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

Energy: 0.01346226210659856
Energy: 0.5534500907320226
Energy: 0.01402183728954548
Energy: 0.014893392192503924
Energy: 0.554815202269552
Energy: 0.014039449505209049
Energy: 0.25979242375429507
Energy: 0.07086912107689561
Energy: 0.06967959178881122
Energy: 0.07189555046259015
Energy: 0.07085456822944917
Energy: 0.06956225599144467
Energy: 0.7482814234072852
Energy: 0.5536513276228501
Energy: 0.5529552432008324
Energy: 0.5559064858851425
Energy: 0.5555312739714374
Energy: 0.5527880037234802
Energy: 0.2597924237549721
Energy: 0.0708691210816539
Energy: 0.06967959178472995
Energy: 0.07189555046328648
Energy: 0.07085456822875284
Energy: 0.06956225599246982

minimum gb energy = 0.01346226210659856 eV
minimum distance =  2.84935028100888 Angstroms
sigma value = 1