Model name: model_name=EAM_Dynamo_SturgeonLaird_2000_Al__MO_120808805541_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050010219216347
cohesive_energy=3.3902685453001857
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[7.833842651943e-20, 1.99256299264044e-19, 2.8034406088741797e-19, 3.1647634833738597e-19, 3.5280890786660397e-19, 3.8190924206994597e-19, 4.064049206271719e-19, 4.2731813223077397e-19, 4.4528494100445e-19, 4.6077798905523e-19, 4.741561639491299e-19, 4.85738298836316e-19, 4.95928142228556e-19, 5.049564075611459e-19, 5.1292082760876e-19, 5.19875876376954e-19, 5.258551995750419e-19, 5.30876421145998e-19, 5.34961971562698e-19, 5.38140690004554e-19, 5.40460641770586e-19, 5.41997129162592e-19, 5.428591001916839e-19, 5.43137878926e-19, 5.4284147624871e-19, 5.41883374621578e-19, 5.4015783038676e-19, 5.37535067236902e-19, 5.33878900158114e-19, 5.29037122370166e-19, 5.22825483560148e-19, 5.15013270292764e-19, 5.05308886420626e-19, 4.93332616081476e-19, 4.78600601931846e-19, 4.604847907312079e-19, 4.38212933341974e-19, 4.10899026085542e-19, 3.7759618257121796e-19, 3.37208513981346e-19, 2.88300470051862e-19, 2.28752371095984e-19, 1.553415990320844e-19, 6.34388246938836e-20, -5.22529080882858e-20, -1.9821328227530997e-19, -3.8497580814742195e-19, -6.26181898219488e-19, -9.412355137058818e-19, -1.37359409362722e-18, -1.98716365738386e-18, -2.9097129850074e-18, -4.51456525398618e-18, -8.219166132419999e-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: 0.0 eV

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

Energy: 0.010416924780346797
Energy: 0.011082373737296602
Energy: 0.010771453525662958
Energy: 0.010552385459713896
Energy: 0.2615060655240351
Energy: 0.01071384508068058
Energy: 0.01108237373754646
Energy: 0.06293465582293375
Energy: 0.06368122509236204
Energy: 0.06298271667445657
Energy: 0.06284159247755583
Energy: 0.06358947908857436
Energy: 0.010771453525662958
Energy: 0.06368122509236204
Energy: 0.06353326870644668
Energy: 0.010780530785118434
Energy: 0.06280539542578945
Energy: 0.0633156591844668
Energy: 0.010552385459713896
Energy: 0.06298271667445657
Energy: 0.010780530785118434
Energy: 0.010643791696845836
Energy: 0.06284912077765362
Energy: 0.01073920007784305
Energy: 0.2615060655240351
Energy: 0.06284159247683402
Energy: 0.06280539542603931
Energy: 0.0628491207771539
Energy: 0.06285793995577771
Energy: 0.06361345949451783
Energy: 0.01071384508068058
Energy: 0.06358947908832449
Energy: 0.0633156591844668
Energy: 0.010739200077593193
Energy: 0.06361345949426797
Energy: 0.010776023562947374

minimum gb energy = 0.010416924780346797 eV
minimum distance =  2.85892589277196 Angstroms
sigma value = 1


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

Energy: 0.7240777135214376
Energy: 0.48826065850189926
Energy: 0.5035818510126651
Energy: 0.4762533546747113
Energy: 0.7152995741828423
Energy: 0.5019995809906757
Energy: 0.6996145093944005
Energy: 0.4792590736062881
Energy: 0.46098751173479496
Energy: 0.4669523264678579
Energy: 0.48843157493476447
Energy: 0.4784309462045285
Energy: 0.6689942527740254
Energy: 0.4687609759912654
Energy: 0.4744894024905368
Energy: 0.48084950663245213
Energy: 0.49025781486421716
Energy: 0.46854490839448604
Energy: 0.7413007866003992
Energy: 0.47291746546825225
Energy: 0.4732001674632664
Energy: 0.47559385006063143
Energy: 0.4731676868573815
Energy: 0.4733420882735164
Energy: 0.6696415322212471
Energy: 0.48323125851698856
Energy: 0.477703003646848
Energy: 0.4688277650753148
Energy: 0.47943778907417234
Energy: 0.47722576214800005
Energy: 0.6656049325168879
Energy: 0.48283876230677003
Energy: 0.4781767552225527
Energy: 0.46616890240247577
Energy: 0.4835790450039813
Energy: 0.4790192843635757
Energy: 0.6665018765095223
Energy: 0.4792879868199574
Energy: 0.47934894214692936
Energy: 0.47796618428351084
Energy: 0.4743632763213978
Energy: 0.47873540579457413
Energy: 0.6461991754121512
Energy: 0.48016576767497327
Energy: 0.48025923989928915
Energy: 0.4417389947040609
Energy: 0.48019977181512385
Energy: 0.47844495461407954
Energy: 0.5424214347319934
Energy: 0.4736586262429738
Energy: 0.4784825372663552
Energy: 0.4836598263237173
Energy: 0.47360421369144784
Energy: 0.47749907692160204
Energy: 0.5395263144078342
Energy: 0.4783409446635034
Energy: 0.47749164005347866
Energy: 0.4696699675353039
Energy: 0.47901704574515097
Energy: 0.47775970919439054
Energy: 0.5414512060284042
Energy: 0.4726649880748295
Energy: 0.4570796346269118
Energy: 0.49039609813709334
Energy: 0.47247192884388844
Energy: 0.4714728474145731
Energy: 0.4891700201314318
Energy: 0.4718811192827819
Energy: 0.4725130813683221
Energy: 0.48928794135755527
Energy: 0.47963356593070433
Energy: 0.47431884262828033
Energy: 0.48825693940445286
Energy: 0.4702367111137484
Energy: 0.4812407774652071
Energy: 0.4882834176258137
Energy: 0.48177921914801236
Energy: 0.47749865011575615
Energy: 0.5463207773169021
Energy: 0.4733376597758984
Energy: 0.47318514338401574
Energy: 0.48165048100346675
Energy: 0.47361258723000654
Energy: 0.47258737300006726
Energy: 0.5055577470021214
Energy: 0.4772215342487302
Energy: 0.47673185730034123
Energy: 0.4778028404100082
Energy: 0.4693343760954902
Energy: 0.4743170961977541
Energy: 0.506692540915049
Energy: 0.4652205842145981
Energy: 0.4742783258601383
Energy: 0.48792330187386795
Energy: 0.4817307224601509
Energy: 0.47486471928137514
Energy: 0.5992095597117453
Energy: 0.4773688360330103
Energy: 0.4775766881392684
Energy: 0.46460514475123704
Energy: 0.47762955556675346
Energy: 0.47347805397102294
Energy: 0.6002605733228319
Energy: 0.48276515399818376
Energy: 0.4812994772099848
Energy: 0.481548754324987
Energy: 0.46914497046517784
Energy: 0.4814690494357273
Energy: 0.6016050790545504
Energy: 0.4832358168786343
Energy: 0.4815042776620568
Energy: 0.4741630022932312
Energy: 0.48163361089614654
Energy: 0.4812000877495529
Energy: 0.6682881853009253
Energy: 0.48235538081980867
Energy: 0.48163962645175273
Energy: 0.4695580843226811
Energy: 0.4814443401821494
Energy: 0.48117651931711747
Energy: 0.6961826044888852
Energy: 0.4653835029456649
Energy: 0.46531290668977116
Energy: 0.4745860550626161
Energy: 0.465055303597063
Energy: 0.47278036933182327
Energy: 0.6953998963228822
Energy: 0.4891278929768822
Energy: 0.4805955021201185
Energy: 0.4796801942961106
Energy: 0.4889053835837278
Energy: 0.46931691113132706
Energy: 0.7005287989294245
Energy: 0.47446579638823116
Energy: 0.4760413613760509
Energy: 0.48014464041668664
Energy: 0.47758432076152224
Energy: 0.47792050279166853

minimum gb energy = 0.4417389947040609 eV
minimum distance =  2.65389327267276 Angstroms
sigma value = 33


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

Energy: 0.788600212555954
Energy: 0.4972015588903977
Energy: 0.4960308166071142
Energy: 0.4952633416481856
Energy: 0.49716433868864174
Energy: 0.4974647070079135
Energy: 0.5742766151906472
Energy: 0.49203801372728795
Energy: 0.49155734372372767
Energy: 0.4880175183409857
Energy: 0.49275774452516585
Energy: 0.48316482150745443
Energy: 0.6197987702122065
Energy: 0.4927893329116261
Energy: 0.4921973693014515
Energy: 0.4954572735109707
Energy: 0.49332491681536145
Energy: 0.4843776587155178
Energy: 0.6655742714704528
Energy: 0.4919010318945619
Energy: 0.481360587873523
Energy: 0.485125961537653
Energy: 0.49205671125058303
Energy: 0.4852101443974948
Energy: 0.6213325338686413
Energy: 0.49735194820679457
Energy: 0.4977907573375225
Energy: 0.4948133642527779
Energy: 0.4982752048803908
Energy: 0.4833265181575576
Energy: 0.6672964734346908
Energy: 0.49626584820733105
Energy: 0.4868774414676465
Energy: 0.4851998784047095
Energy: 0.4966443946619314
Energy: 0.4869785701676838
Energy: 0.6663933867681012
Energy: 0.487284008289925
Energy: 0.4877735610248161
Energy: 0.4864978999121237
Energy: 0.48862954185181273
Energy: 0.48652468020361805
Energy: 0.6205044525136317
Energy: 0.49374976259950043
Energy: 0.49329054309962556
Energy: 0.49861739749864176
Energy: 0.49191178755312287
Energy: 0.49294740381707464
Energy: 0.5311075810813405
Energy: 0.49525301257123
Energy: 0.4861395902693267
Energy: 0.4966073318223952
Energy: 0.4916527398534711
Energy: 0.4981684705192229
Energy: 0.5312837042502849
Energy: 0.49523381554829365
Energy: 0.49425423786449924
Energy: 0.4985154862276808
Energy: 0.4962427369111079
Energy: 0.4838140695928525
Energy: 0.5444273325889328
Energy: 0.46575255879559857
Energy: 0.4655914213618162
Energy: 0.5085240167473858
Energy: 0.4659961549270516
Energy: 0.4658388334862117
Energy: 0.4934051968700946
Energy: 0.4802287890394353
Energy: 0.48606302822332165
Energy: 0.4937486196485301
Energy: 0.49227842149093765
Energy: 0.48668437971042494
Energy: 0.4935360050904374
Energy: 0.4963297301229264
Energy: 0.4848539149417028
Energy: 0.4934982905796179
Energy: 0.4999804447240965
Energy: 0.4787280829364981
Energy: 0.4952465712518948
Energy: 0.4852490451431465
Energy: 0.48489110448477196
Energy: 0.482383573323805
Energy: 0.4851498256724444
Energy: 0.48444981586502944
Energy: 0.5307590351746185
Energy: 0.4947188077156437
Energy: 0.4939202413289692
Energy: 0.4793036833106888
Energy: 0.49529231179260713
Energy: 0.5024479916575374
Energy: 0.5318417616697314
Energy: 0.4852381771569769
Energy: 0.4868417324489852
Energy: 0.49654426253724626
Energy: 0.47870533328762843
Energy: 0.48725752966724645
Energy: 0.621343190978531
Energy: 0.48608843093195353
Energy: 0.48654870458635685
Energy: 0.4884739900867816
Energy: 0.48618951168817187
Energy: 0.4869916622435955
Energy: 0.5785819216231571
Energy: 0.48741753107092206
Energy: 0.4875243696987875
Energy: 0.4918550012485011
Energy: 0.49783073208714856
Energy: 0.49201211121971267
Energy: 0.5728703470587273
Energy: 0.4955050037044341
Energy: 0.4972520930287701
Energy: 0.4919651576652129
Energy: 0.4958530427518053
Energy: 0.4865351280097456
Energy: 0.6207602748783732
Energy: 0.49683784502459516
Energy: 0.4977768952102791
Energy: 0.49608439545844724
Energy: 0.49728969264219375
Energy: 0.4933698047220221
Energy: 0.7556891863216973
Energy: 0.4874426313205297
Energy: 0.46547719681629024
Energy: 0.465804656322892
Energy: 0.48667090100414134
Energy: 0.46554776977308293
Energy: 0.5746622995402323
Energy: 0.49191419462446206
Energy: 0.46850703240395725
Energy: 0.4926934607294702
Energy: 0.49306689729791203
Energy: 0.48579718377997094
Energy: 0.6228142695663657
Energy: 0.49243992057241565
Energy: 0.4912232331535656
Energy: 0.4963354086193059
Energy: 0.4931202369045428
Energy: 0.48379035124005093
Energy: 0.6801760634045282
Energy: 0.48751810977276405
Energy: 0.4825856795856758
Energy: 0.48456533145203556
Energy: 0.4967224700005139
Energy: 0.49817146621387504
Energy: 0.6220503376185078
Energy: 0.47916765974031267
Energy: 0.4991733265667374
Energy: 0.49602113219816446
Energy: 0.4800130914707427
Energy: 0.4954732070478677
Energy: 0.6223128026829267
Energy: 0.49647815984136784
Energy: 0.48662036392372005
Energy: 0.484342224521408
Energy: 0.49631055436023613
Energy: 0.4868473776281325
Energy: 0.6658228630152083
Energy: 0.4866113172446212
Energy: 0.48650634229037576
Energy: 0.4866368953506329
Energy: 0.4867370303780882
Energy: 0.48638878742549546
Energy: 0.6208875300690172
Energy: 0.49453364742076145
Energy: 0.4922566762431566
Energy: 0.48662803509796654
Energy: 0.4920115101419925
Energy: 0.4866663243027953
Energy: 0.5320856316046753
Energy: 0.49465552262736134
Energy: 0.4922270290939415
Energy: 0.4969450773754588
Energy: 0.491947647959282
Energy: 0.4872831930935477
Energy: 0.5320227887618485
Energy: 0.49453178602935105
Energy: 0.4929498785924853
Energy: 0.4970903790749993
Energy: 0.4944962711585197
Energy: 0.4983944640565968
Energy: 0.5397588220120009
Energy: 0.46590940902706635
Energy: 0.46568526107382147
Energy: 0.4808741963923511
Energy: 0.4660335121495866
Energy: 0.4654312395769327
Energy: 0.4914130593825316
Energy: 0.46012405746579343
Energy: 0.4634580266472468
Energy: 0.49158135324765934
Energy: 0.481116869149556
Energy: 0.48635131885871974
Energy: 0.4918563705926252
Energy: 0.4947604476230653
Energy: 0.4956171002870737
Energy: 0.4921614989317728
Energy: 0.4955650403926665
Energy: 0.4783501430265775
Energy: 0.49217125992374766
Energy: 0.48520784096918257
Energy: 0.4841562523743145
Energy: 0.4923013556448783
Energy: 0.4854484186147063
Energy: 0.49937241422565126
Energy: 0.5306678271605272
Energy: 0.49601150886637535
Energy: 0.49579018249245066
Energy: 0.47899672583833003
Energy: 0.4965943316533162
Energy: 0.4827103642161797
Energy: 0.5303141892354913
Energy: 0.47851282470563933
Energy: 0.4865565206470504
Energy: 0.4976064270718878
Energy: 0.48421922415716767
Energy: 0.487212583852843
Energy: 0.5311506159211639
Energy: 0.4867678543118517
Energy: 0.48668890554291455
Energy: 0.4680210008781988
Energy: 0.4870697880540486
Energy: 0.48664254386408784
Energy: 0.57295228007653
Energy: 0.4875184886636075
Energy: 0.4861763607829752
Energy: 0.49172365719836003
Energy: 0.4862739147307106
Energy: 0.4863687401343748
Energy: 0.5772486251198151
Energy: 0.4971164806105775
Energy: 0.4975499089741745
Energy: 0.4917584007615622
Energy: 0.49748464017794525
Energy: 0.4921493366948356
Energy: 0.6210645915209317
Energy: 0.4953294017280652
Energy: 0.4964533770159522
Energy: 0.494928568226606
Energy: 0.4958522067344941
Energy: 0.4956520828617315
Energy: 0.7536011723530872
Energy: 0.48740293850067684
Energy: 0.46561863619201665
Energy: 0.46605213041933774
Energy: 0.4809973609625169
Energy: 0.4653381502371145

minimum gb energy = 0.46012405746579343 eV
minimum distance =  2.69710581309712 Angstroms
sigma value = 51


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

Energy: 0.7480430548862851
Energy: 0.48340559141385064
Energy: 0.48314060018328786
Energy: 0.48359205975119973
Energy: 0.5047423321666759
Energy: 0.5183217406480085
Energy: 0.6180947884364845
Energy: 0.50266912729689
Energy: 0.5027767896065547
Energy: 0.4886759283535254
Energy: 0.5028681775193208
Energy: 0.49201558383607014
Energy: 0.6869001636514153
Energy: 0.5035786665507519
Energy: 0.5030576628427996
Energy: 0.48961602881172256
Energy: 0.5033514806646735
Energy: 0.49373626346206817
Energy: 0.6831925854137294
Energy: 0.4837492508238072
Energy: 0.48388385086180613
Energy: 0.49291346702540234
Energy: 0.48517177781517873
Energy: 0.4961051932763624
Energy: 0.5834305777393587
Energy: 0.5073387373414727
Energy: 0.5069957050935562
Energy: 0.4816423794176327
Energy: 0.5065404982142827
Energy: 0.5073303774916822
Energy: 0.5827895428935115
Energy: 0.5075587832100714
Energy: 0.5060650386334885
Energy: 0.5064947333894706
Energy: 0.5065521639025573
Energy: 0.5060713317254599
Energy: 0.5824650539570696
Energy: 0.46978571591773965
Energy: 0.47004346566147975
Energy: 0.5063309886068945
Energy: 0.4700575486285423
Energy: 0.5071855547600543
Energy: 0.5841586638051028
Energy: 0.48610769425078515
Energy: 0.4865568422614921
Energy: 0.4955987510274901
Energy: 0.4862932569636331
Energy: 0.4871979150106573
Energy: 0.5032873391998137
Energy: 0.48800851850393484
Energy: 0.48837992914154665
Energy: 0.503226885813271
Energy: 0.48921345200812993
Energy: 0.5022622535736305
Energy: 0.503386787181279
Energy: 0.4882926681479412
Energy: 0.5091107824877045
Energy: 0.5034344099996146
Energy: 0.48832889754649755
Energy: 0.49209615992323363
Energy: 0.5138573438148589
Energy: 0.48293561582833044
Energy: 0.48285837923400743
Energy: 0.5174468096204268
Energy: 0.48827416106333726
Energy: 0.48297987613496945
Energy: 0.5238285657843479
Energy: 0.48849758730953347
Energy: 0.4964592675968092
Energy: 0.4916812413985048
Energy: 0.4951507614356699
Energy: 0.5101571428983772
Energy: 0.5234127947263304
Energy: 0.4921503594458947
Energy: 0.49155773193070956
Energy: 0.5073517088780477
Energy: 0.5115952110418376
Energy: 0.5089157913765451
Energy: 0.5239882637565029
Energy: 0.48450201867133746
Energy: 0.49714231058665176
Energy: 0.4930033658148023
Energy: 0.4845776977203698
Energy: 0.4777694790926777
Energy: 0.6172413851183817
Energy: 0.4888123673196828
Energy: 0.48700828344310587
Energy: 0.4930231904986524
Energy: 0.4946418296412564
Energy: 0.4869573840545559
Energy: 0.6209945045431292
Energy: 0.5097518559752758
Energy: 0.5093787606104235
Energy: 0.49675963658153754
Energy: 0.5096603457934926
Energy: 0.49646673420689563
Energy: 0.6344382504775973
Energy: 0.5098573496972764
Energy: 0.5090528962692882
Energy: 0.49972526204089707
Energy: 0.5095174089950673
Energy: 0.5022615195309671
Energy: 0.7453649052234788
Energy: 0.49173681870980024
Energy: 0.4765351319488404
Energy: 0.48796018642294237
Energy: 0.49144104756040685
Energy: 0.49506275326347965

minimum gb energy = 0.46978571591773965 eV
minimum distance =  2.61817265237668 Angstroms
sigma value = 19


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

Energy: 0.6761482127817763
Energy: 0.5120689371422916
Energy: 0.47114330030100227
Energy: 0.5277845366043943
Energy: 0.4810172735494902
Energy: 0.5041383471900703
Energy: 0.6457784265495307
Energy: 0.49053384492490926
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Energy: 0.49055473686427353
Energy: 0.5746377205916912
Energy: 0.5258918520501022
Energy: 0.4918398899051771
Energy: 0.5105482840956523
Energy: 0.49156423285945305
Energy: 0.5255059457330521
Energy: 0.5856865382116228
Energy: 0.4923696223756642
Energy: 0.4925014598694274
Energy: 0.5065065813753498
Energy: 0.4914672945051908
Energy: 0.4995596190223377
Energy: 0.6064855575879509
Energy: 0.48806791220427836
Energy: 0.5444678328746403
Energy: 0.5408619972276394
Energy: 0.4878582647674215
Energy: 0.545141631733511
Energy: 0.6051620833994851
Energy: 0.5454686213827328
Energy: 0.5430128083453961
Energy: 0.5384690290750831
Energy: 0.5258368490944942
Energy: 0.5430444279886186
Energy: 0.5830155320654126
Energy: 0.4599868876926671
Energy: 0.45985505924839964
Energy: 0.5244186097744397
Energy: 0.4601253047310846
Energy: 0.4550307278791604
Energy: 0.5278206205344766
Energy: 0.4601856417445708
Energy: 0.4536446838105475
Energy: 0.5278848558935754
Energy: 0.45948501520426105
Energy: 0.45404613648810294
Energy: 0.5288241224232758
Energy: 0.5232217029499658
Energy: 0.5282679718356346
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Energy: 0.5528150775601226
Energy: 0.5282375704936648
Energy: 0.5282946686573621
Energy: 0.5109261380941067
Energy: 0.5115450094102758
Energy: 0.5281774990057778
Energy: 0.5115087186573116
Energy: 0.5280674074131293
Energy: 0.570509460199359
Energy: 0.5503349415230435
Energy: 0.5453814734299891
Energy: 0.5298572907114844
Energy: 0.5529377573470697
Energy: 0.5301384876360901
Energy: 0.4877884027079018
Energy: 0.5413961473615706
Energy: 0.5460234889942647
Energy: 0.48910530595378326
Energy: 0.5469031306874492
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Energy: 0.5711235242712538
Energy: 0.5443767962000434
Energy: 0.5447367144984983
Energy: 0.5301226925250357
Energy: 0.5386793820634558
Energy: 0.5444989812924984
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Energy: 0.5283575080380307
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Energy: 0.5280511734506089
Energy: 0.457663701501276
Energy: 0.6354638226663013
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Energy: 0.4544437379270476
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Energy: 0.6020885985818887
Energy: 0.5280347198804657
Energy: 0.528138525745859
Energy: 0.551415151908278
Energy: 0.5283907819418391
Energy: 0.5283448498075869
Energy: 0.5731481236326212
Energy: 0.5280502167405101
Energy: 0.5280033853426394
Energy: 0.5103164267123516
Energy: 0.5282609679347998
Energy: 0.5281535504806009
Energy: 0.572948460837146
Energy: 0.5283924563151747
Energy: 0.522941374850877
Energy: 0.5104721520035532
Energy: 0.5282161926587918
Energy: 0.5231252181492851
Energy: 0.6057363674586954
Energy: 0.4882549987362059
Energy: 0.5510929032930867
Energy: 0.5457537430846723
Energy: 0.487764381404408
Energy: 0.5516772121142889
Energy: 0.6048688505836957
Energy: 0.5351768145069946
Energy: 0.5454197916906117
Energy: 0.5456587569238536
Energy: 0.5309373659007205
Energy: 0.5462217317363963
Energy: 0.6057334482711114
Energy: 0.5392422984679889
Energy: 0.5432390922207267
Energy: 0.5432588294326335
Energy: 0.5232300090669059
Energy: 0.543189330040518
Energy: 0.6078748105880181
Energy: 0.4564297765292165
Energy: 0.45365133810545377
Energy: 0.5797174915153354
Energy: 0.4624587432413792
Energy: 0.44730620431650703
Energy: 0.5270424337800563
Energy: 0.5411537729509774
Energy: 0.527809138066276
Energy: 0.5274878805408258
Energy: 0.48252065783455456
Energy: 0.5274283269082588
Energy: 0.5271993813431586
Energy: 0.5475379918879161
Energy: 0.527785899404923
Energy: 0.5275674009366929
Energy: 0.5410936234419452
Energy: 0.5272006030515668
Energy: 0.5846150237417596
Energy: 0.5110597829925656
Energy: 0.5114826968968097
Energy: 0.5043306305659734
Energy: 0.5107069292089038
Energy: 0.4766637434138295
Energy: 0.600923072169984
Energy: 0.5016692909375968
Energy: 0.5021377327726051
Energy: 0.48113007788746054
Energy: 0.49671303943427275
Energy: 0.5021735362037518
Energy: 0.48774267668741617
Energy: 0.5044933166968826
Energy: 0.5025363869853442
Energy: 0.4877475549706972
Energy: 0.49644983216718225
Energy: 0.5020422445587247
Energy: 0.5868445949930197
Energy: 0.5105447218580089
Energy: 0.4952954254423583
Energy: 0.47491459403874714
Energy: 0.5097658479451951
Energy: 0.49882018401405864
Energy: 0.6801845597064973
Energy: 0.490904631252782
Energy: 0.4620884187105933
Energy: 0.45960398480374953
Energy: 0.49079681055613317
Energy: 0.48337527280411813

minimum gb energy = 0.44730620431650703 eV
minimum distance =  2.64609745646259 Angstroms
sigma value = 27


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

Energy: 0.5475707805621156
Energy: 0.5391996906909529
Energy: 0.5378424255213107
Energy: 0.47778341707506644
Energy: 0.47410557423968497
Energy: 0.6101462119254385
Energy: 0.4940821759235912
Energy: 0.4750566205464417
Energy: 0.4435535076615182
Energy: 0.4459551343434259
Energy: 0.4750651254951335
Energy: 0.4227006036110757
Energy: 0.4977234522503489
Energy: 0.4744004996375987
Energy: 0.4435593914673126
Energy: 0.4546730459119051
Energy: 0.4739553774000957
Energy: 0.44423033766486736
Energy: 0.44413237607906914
Energy: 0.4667347105034492
Energy: 0.4634488793867132
Energy: 0.43534830248050616
Energy: 0.45159911589974094
Energy: 0.43506183617624966
Energy: 0.5452354448418174
Energy: 0.4266868730006239
Energy: 0.43481019036581664
Energy: 0.4741897274405593
Energy: 0.4272050172190274
Energy: 0.4347450896993671
Energy: 0.47308747841265836
Energy: 0.42754422485705207
Energy: 0.42642957317054125
Energy: 0.4731888584916601
Energy: 0.426669893646775
Energy: 0.4270867851726933
Energy: 0.4761545703459316
Energy: 0.4358731204761175
Energy: 0.434662817365234
Energy: 0.47631624360156044
Energy: 0.4351986079704488
Energy: 0.44399230479208207
Energy: 0.47537276798435113
Energy: 0.43269418701184903
Energy: 0.4324733849943832
Energy: 0.475408632199237
Energy: 0.43261427228962274
Energy: 0.4329360488834169
Energy: 0.4977488249809406
Energy: 0.43566712717301215
Energy: 0.42224406758940236
Energy: 0.4753737006502997
Energy: 0.4325819116829811
Energy: 0.44268985427260193
Energy: 0.4428689855358401
Energy: 0.45562525432198425
Energy: 0.4551719179295388
Energy: 0.46469324155590364
Energy: 0.4360247965948553
Energy: 0.4561524401724256
Energy: 0.4976084231600589
Energy: 0.46602221253250414
Energy: 0.4671678484353056
Energy: 0.4440662839354461
Energy: 0.4662082126599387
Energy: 0.46344174663239035
Energy: 0.49408217565420653
Energy: 0.44303799210765865
Energy: 0.44272207092646354
Energy: 0.44628245077870543
Energy: 0.4758894138650901
Energy: 0.42244752564733723

minimum gb energy = 0.42224406758940236 eV
minimum distance =  2.70155431193297 Angstroms
sigma value = 9


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

Energy: 0.8517597381164944
Energy: 0.481275089616105
Energy: 0.44261909110957703
Energy: 0.4086914106270195
Energy: 0.44752351868977897
Energy: 0.41000567937576676
Energy: 0.42266723316429744
Energy: 0.41056904903712305
Energy: 0.4029802514862958
Energy: 0.3982866976772719
Energy: 0.41034252908947616
Energy: 0.39857292467950906
Energy: 0.4257481690671612
Energy: 0.41158545268688096
Energy: 0.41042481881526804
Energy: 0.40918342722520984
Energy: 0.41103152171871943
Energy: 0.4051522134308932
Energy: 0.4268130856553781
Energy: 0.38669456483119297
Energy: 0.38586992961199573
Energy: 0.402002906286101
Energy: 0.4134172522101691
Energy: 0.3856561200017454
Energy: 0.45107550729669627
Energy: 0.3985715860138972
Energy: 0.3871008462238692
Energy: 0.4124798906545532
Energy: 0.39810000725090644
Energy: 0.40490926622755163
Energy: 0.41820490961708867
Energy: 0.403121096124151
Energy: 0.4183429326352804
Energy: 0.41810487527898094
Energy: 0.39436891968787596
Energy: 0.3994178233171891
Energy: 0.4190682827244357
Energy: 0.3860005367250422
Energy: 0.3859644330330093
Energy: 0.41870224560902314
Energy: 0.3994759979323819
Energy: 0.4219869343352205
Energy: 0.4181864475506391
Energy: 0.4025535925840164
Energy: 0.40771684788903273
Energy: 0.418212482151556
Energy: 0.4000375560720497
Energy: 0.4035553283685774
Energy: 0.49196892916368956
Energy: 0.40780087719322755
Energy: 0.41027351201113915
Energy: 0.41409481807218
Energy: 0.4103955422187197
Energy: 0.4099297282931305
Energy: 0.39824817728187567
Energy: 0.3892112373736278
Energy: 0.3865037838324526
Energy: 0.3933864635612481
Energy: 0.4013449603146523
Energy: 0.388176797993055
Energy: 0.39464350328408004
Energy: 0.4180251236525896
Energy: 0.4221188475832728
Energy: 0.403694917864347
Energy: 0.41818642931280764
Energy: 0.4226292991000426
Energy: 0.4906893722552118
Energy: 0.41828967316318494
Energy: 0.4181978348264126
Energy: 0.3958770566518405
Energy: 0.41817329084497223
Energy: 0.4059325040077489
Energy: 0.7498026228776407
Energy: 0.46893135498662736
Energy: 0.38490662119330216
Energy: 0.3916847540893595
Energy: 0.4203136560010986
Energy: 0.40669692819534703
Energy: 0.501010008170951
Energy: 0.41915073626650323
Energy: 0.4051299149001582
Energy: 0.3944897803006264
Energy: 0.41818294093325775
Energy: 0.40536460439675254
Energy: 0.41291630741073926
Energy: 0.40978128586893753
Energy: 0.4094924103228279
Energy: 0.4116321475550223
Energy: 0.40783865792083135
Energy: 0.4092684683105161
Energy: 0.41119330858171277
Energy: 0.397138116947535
Energy: 0.41198224638601844
Energy: 0.4120356193426803
Energy: 0.40838963448079224
Energy: 0.40543210165750887
Energy: 0.40974991950238826
Energy: 0.3918222195243421
Energy: 0.3854664852279025
Energy: 0.4097914638565317
Energy: 0.3921233999713043
Energy: 0.3980496687204377
Energy: 0.42684251986060706
Energy: 0.39302637757827974
Energy: 0.40373563072862906
Energy: 0.41061391106996686
Energy: 0.4014466128072089
Energy: 0.4033046604426628
Energy: 0.4256665268761821
Energy: 0.39856414206180285
Energy: 0.3973626760703863
Energy: 0.4106396981655804
Energy: 0.4046370813987298
Energy: 0.3964309162856239
Energy: 0.425360552473268
Energy: 0.4028970158051585
Energy: 0.3970156835649782
Energy: 0.403582353543281
Energy: 0.40336392997921605
Energy: 0.39602936413189865
Energy: 0.4257504255638611
Energy: 0.41196184614892556
Energy: 0.39541854568666585
Energy: 0.4129779048649748
Energy: 0.4111892726118114
Energy: 0.39675076251172775
Energy: 0.4501083344262793
Energy: 0.41053263589662503
Energy: 0.4110949986102979
Energy: 0.3987827616456593
Energy: 0.4109299648774141
Energy: 0.3820248493367257
Energy: 0.44852779213754174
Energy: 0.4101296708807896
Energy: 0.40730947553758545
Energy: 0.398836628911415
Energy: 0.40986996581185453
Energy: 0.3800814942593639
Energy: 0.42548301098823205
Energy: 0.4120931264955325
Energy: 0.41212138127083836
Energy: 0.41517676231608336
Energy: 0.4111258421039728
Energy: 0.4044648884324432
Energy: 0.5509243059438762
Energy: 0.3926705044223537
Energy: 0.4153826648589148
Energy: 0.4082110020621398
Energy: 0.4103987805687616
Energy: 0.40964354342746157
Energy: 0.4252831862238283
Energy: 0.39254463991533134
Energy: 0.3861761129118304
Energy: 0.4189108546183767
Energy: 0.39296060893124113
Energy: 0.405580257164131
Energy: 0.3948355291630278
Energy: 0.41011972978264294
Energy: 0.39194677041437953
Energy: 0.3948103393620347
Energy: 0.4108688697775915
Energy: 0.3854453826934347
Energy: 0.4181825947061028
Energy: 0.3861574667331559
Energy: 0.38623631226014005
Energy: 0.4182204528560105
Energy: 0.39278751360233033
Energy: 0.4211385486379418
Energy: 0.4182933467048315
Energy: 0.4020176721729605
Energy: 0.4111945967903862
Energy: 0.4182238436393298
Energy: 0.4022195089309659
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Energy: 0.41607905353564134
Energy: 0.4008535776594833
Energy: 0.3889476700634097
Energy: 0.4132379569483288
Energy: 0.39978131604767975
Energy: 0.3861138921796147
Energy: 0.3945917652962869
Energy: 0.3922558703537175
Energy: 0.4091950003581503
Energy: 0.40327674759177073
Energy: 0.4082701926768457
Energy: 0.4229767082092763
Energy: 0.3973191806410831
Energy: 0.4249543782336576
Energy: 0.40349822110676764
Energy: 0.3935519334774797
Energy: 0.4179416734433673
Energy: 0.38708902509359266
Energy: 0.5007840055012854
Energy: 0.4186482381162002
Energy: 0.41823171915753116
Energy: 0.4140963928012036
Energy: 0.4192474916129551
Energy: 0.38567864147207015
Energy: 0.4243573557411579
Energy: 0.4179944150604624
Energy: 0.4181545526255704
Energy: 0.40128915148879957
Energy: 0.4179748586316091
Energy: 0.38486317480811594
Energy: 0.42235485318440275
Energy: 0.40419052074711054
Energy: 0.4061521016995158
Energy: 0.403590975397632
Energy: 0.418330933539598
Energy: 0.40542945627984267
Energy: 0.42369821169446714
Energy: 0.406362472262828
Energy: 0.387933962699752
Energy: 0.4207006037218302
Energy: 0.4048415997143621
Energy: 0.38553348541413907
Energy: 0.41114259872171677
Energy: 0.40813785451854134
Energy: 0.4053179306557738
Energy: 0.4118304252896691
Energy: 0.40659008241625305
Energy: 0.4061679235369328
Energy: 0.410093794047575
Energy: 0.3962175900254597
Energy: 0.3991160777698558
Energy: 0.41001643457883713
Energy: 0.3991307403170053
Energy: 0.4032442243747018
Energy: 0.42999970051275604
Energy: 0.3912878669958314
Energy: 0.391229466043888
Energy: 0.4300401194330139
Energy: 0.3925459675131506
Energy: 0.4035109719598721
Energy: 0.4253573762684841
Energy: 0.39604475738670436
Energy: 0.40189974262830735
Energy: 0.4101881554577193
Energy: 0.3995308881339697
Energy: 0.3964273638411354
Energy: 0.42549719692072385
Energy: 0.3975896115496301
Energy: 0.39726081216570625
Energy: 0.4027763096029941
Energy: 0.404117011238108
Energy: 0.39853858516880564
Energy: 0.42571675721274443
Energy: 0.4055304431790827
Energy: 0.40737669243025304
Energy: 0.41089844518842233
Energy: 0.4041867169496034
Energy: 0.3947133401554864
Energy: 0.4485501102629193
Energy: 0.41038311993710563
Energy: 0.40089292431976953
Energy: 0.39868919155364396
Energy: 0.41018697921727154
Energy: 0.38018975845680675

minimum gb energy = 0.3800814942593639 eV
minimum distance =  2.66245195889432 Angstroms
sigma value = 57


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

Energy: 0.20189531921073842
Energy: 0.2107355154636304
Energy: 0.22633518254689602
Energy: 0.20272040633017976
Energy: 0.227886238587115
Energy: 0.20310180376541695
Energy: 0.20252498605101574
Energy: 0.21386488804965195
Energy: 0.21438558789720244
Energy: 0.22481757123641175
Energy: 0.22649430326469838
Energy: 0.21845932315755132
Energy: 0.2495517077453997
Energy: 0.22797639165690822
Energy: 0.21612404023688137
Energy: 0.22604602289743098
Energy: 0.22710769476492723
Energy: 0.21632416088418074
Energy: 0.2497006237110749
Energy: 0.227961959795959
Energy: 0.21638675076824304
Energy: 0.22716967844574923
Energy: 0.22985275736014457
Energy: 0.21639559723173582
Energy: 0.24700525974282236
Energy: 0.20377089680031593
Energy: 0.21534849120736277
Energy: 0.24905462325867334
Energy: 0.20283498046860532
Energy: 0.2144395224110294
Energy: 0.22695350273487302
Energy: 0.20312731641853554
Energy: 0.20424294967555245
Energy: 0.21353033434978608
Energy: 0.20551727885746102
Energy: 0.21446911372210184
Energy: 0.22361896044776905
Energy: 0.21381347274207327
Energy: 0.2147011576686512
Energy: 0.22418548058227952
Energy: 0.21200607594430043
Energy: 0.21932113819188737
Energy: 0.2269085101726576
Energy: 0.2162773500744538
Energy: 0.22883986968686587
Energy: 0.22711132213888574
Energy: 0.2142898794171061
Energy: 0.21442440623932166
Energy: 0.24674197877522414
Energy: 0.2293732943275679
Energy: 0.22031234721181836
Energy: 0.22674648411870227
Energy: 0.22578311725937744
Energy: 0.2160305700988961
Energy: 0.2055353470153529
Energy: 0.22955270198378108
Energy: 0.20458860060496356
Energy: 0.20609792949223665
Energy: 0.22568039097868242
Energy: 0.21420430927213432
Energy: 0.20239373028027532
Energy: 0.21441897974568302
Energy: 0.21436196144502526
Energy: 0.2025872790936763
Energy: 0.21238067043857325
Energy: 0.20624964293366765
Energy: 0.24791361544147872
Energy: 0.22781090252611172
Energy: 0.22269282959440004
Energy: 0.2251217590899177
Energy: 0.2259286527551235
Energy: 0.21893687365171788
Energy: 0.25006648812703347
Energy: 0.25016617869991215
Energy: 0.24775262810418192
Energy: 0.2134592886610943
Energy: 0.2501601986094995
Energy: 0.22855635171524932
Energy: 0.24726211286335367
Energy: 0.22766003280878794
Energy: 0.21490297410027473
Energy: 0.22598433563834588
Energy: 0.22580355598190172
Energy: 0.2153229290402866
Energy: 0.24954662233546152
Energy: 0.20722938705397836
Energy: 0.2032057366418716
Energy: 0.2268437902134882
Energy: 0.20383767759638657
Energy: 0.20349315457507233
Energy: 0.2254554823481996
Energy: 0.21519282657781325
Energy: 0.2188351597310945
Energy: 0.2259066623116802
Energy: 0.20333562510027922
Energy: 0.21480092440524373
Energy: 0.22661246024392456
Energy: 0.22076132635254525
Energy: 0.2206349035715349
Energy: 0.22692758391538076
Energy: 0.22644147301262474
Energy: 0.21598731803821378
Energy: 0.24963530186986724
Energy: 0.21588719504171594
Energy: 0.228475280468813
Energy: 0.25005693227142867
Energy: 0.2150175772149615
Energy: 0.21613916410418588
Energy: 0.20247418460986347
Energy: 0.21437117163208946
Energy: 0.21458348534913135
Energy: 0.2026832812417728
Energy: 0.2154390250891295
Energy: 0.2152406203663843

minimum gb energy = 0.20189531921073842 eV
minimum distance =  2.70446626463864 Angstroms
sigma value = 11


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

Energy: 0.7001879719175744
Energy: 0.32427530068434923
Energy: 0.3972000119225024
Energy: 0.35018612964156587
Energy: 0.3924589323967398
Energy: 0.39600830480462157
Energy: 0.33813246496496796
Energy: 0.33501320187520833
Energy: 0.33619112556477454
Energy: 0.3324093472824323
Energy: 0.32741362737877067
Energy: 0.32627698105490877
Energy: 0.32768716298066547
Energy: 0.3333681099265254
Energy: 0.33452517770942003
Energy: 0.3283181446662689
Energy: 0.33281641988751876
Energy: 0.32782392565789364
Energy: 0.3276813755043475
Energy: 0.3378741660969331
Energy: 0.33927194383785214
Energy: 0.3285757308684724
Energy: 0.32756766851901087
Energy: 0.33192799399859674
Energy: 0.32847644053154024
Energy: 0.38515446097440015
Energy: 0.36109721663209327
Energy: 0.3290610734468734
Energy: 0.33966947363687583
Energy: 0.3311496925249594
Energy: 0.349274714516572
Energy: 0.36572855540489135
Energy: 0.35867616051895346
Energy: 0.33538442267259017
Energy: 0.3640273550223565
Energy: 0.35342482328828956
Energy: 0.3503326267580404
Energy: 0.32987372371283047
Energy: 0.33242444091877543
Energy: 0.326129705843798
Energy: 0.3339789503215233
Energy: 0.3278734393505152
Energy: 0.3341177957986427
Energy: 0.33658454702261414
Energy: 0.33800702298071506
Energy: 0.3445342077999824
Energy: 0.3352938916971591
Energy: 0.3379130138983068
Energy: 0.3501166748563573
Energy: 0.33208885096175356
Energy: 0.32649730417029404
Energy: 0.3384484327223817
Energy: 0.3272524687544814
Energy: 0.3326391945286111
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Energy: 0.35201585957009257
Energy: 0.35316907003590303
Energy: 0.40715671043384144
Energy: 0.3523097603579872
Energy: 0.3626219773545448
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Energy: 0.35198255115649174
Energy: 0.353398515285997
Energy: 0.3366428098190466
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Energy: 0.40325710988206903
Energy: 0.3210656577307473
Energy: 0.32618496493190663
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Energy: 0.3191859412741059
Energy: 0.33886349791935955
Energy: 0.3876027566697634
Energy: 0.32240210451739204
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Energy: 0.3377733844137469
Energy: 0.32051483939047426
Energy: 0.3396170716880212
Energy: 0.3873672857646155
Energy: 0.3852053648202948
Energy: 0.38435349405758634
Energy: 0.33707268917803507
Energy: 0.35638103048559155
Energy: 0.3840576480823009
Energy: 0.38916034792687826
Energy: 0.33537292729024065
Energy: 0.3489670080326258
Energy: 0.33675792770010143
Energy: 0.3355651012113006
Energy: 0.33683267921191723
Energy: 0.4797130049730592
Energy: 0.3851822740659248
Energy: 0.38417891360828454
Energy: 0.35629704078882857
Energy: 0.3658963120766564
Energy: 0.38451111577825475
Energy: 0.5064451468548348
Energy: 0.36523862809815727
Energy: 0.32735258699840947
Energy: 0.44200946068318187
Energy: 0.4368002009935085
Energy: 0.327195367418384
Energy: 0.604115239078783
Energy: 0.3577640525504932
Energy: 0.3847222850187878
Energy: 0.33601621410512017
Energy: 0.36032370838524863
Energy: 0.38422110959519523
Energy: 0.48502037541379334
Energy: 0.334671366469323
Energy: 0.33337273315028526
Energy: 0.3275051006734217
Energy: 0.3367332426946084
Energy: 0.3282740682698929
Energy: 0.4236980406823257
Energy: 0.39495590080304394
Energy: 0.33672589536512976
Energy: 0.40898281543683956
Energy: 0.38211421238690507
Energy: 0.33828985857254956
Energy: 0.47991300973274753
Energy: 0.36279836695371875
Energy: 0.3558268042569886
Energy: 0.35176429502054263
Energy: 0.38419859590811006
Energy: 0.3538942222740461
Energy: 0.46512762311776673
Energy: 0.32733682298907135
Energy: 0.3427902746713207
Energy: 0.4532714199776039
Energy: 0.32730679679600844
Energy: 0.3876525908637507
Energy: 0.3265983679349602
Energy: 0.3612870220905476
Energy: 0.35599762821546976
Energy: 0.32688519891590445
Energy: 0.33344470598503434
Energy: 0.35436466305212017
Energy: 0.33279368836662016
Energy: 0.3314238038468593
Energy: 0.3279528681862394
Energy: 0.33330424910637285
Energy: 0.3302781014702785
Energy: 0.333483103389453
Energy: 0.37878727649038885
Energy: 0.32982612162239033
Energy: 0.3318605520824239
Energy: 0.38467206683240535
Energy: 0.3283171833844295
Energy: 0.3334544005740202
Energy: 0.3662995811108432
Energy: 0.32801965029991614
Energy: 0.3301505500546753
Energy: 0.33740715444737124
Energy: 0.33386272499821673
Energy: 0.3161691206688526

minimum gb energy = 0.3161691206688526 eV
minimum distance =  2.6734685782881 Angstroms
sigma value = 41


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

Energy: 0.6732284697822339
Energy: 0.3679394077594577
Energy: 0.3705677556220258
Energy: 0.3568695729036154
Energy: 0.45233111072178833
Energy: 0.4033224484923894
Energy: 0.36281113444618623
Energy: 0.35800881245838734
Energy: 0.3499324251916321
Energy: 0.35367306817815847
Energy: 0.3504508457602166
Energy: 0.34983811943240495
Energy: 0.3509435064916284
Energy: 0.35021572025679326
Energy: 0.3496062475114948
Energy: 0.3526634193415378
Energy: 0.3532222646235953
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Energy: 0.3508785925240759
Energy: 0.3581291934397333
Energy: 0.3499676892304529
Energy: 0.35166716541872384
Energy: 0.3531770277150104
Energy: 0.3518128732312906
Energy: 0.3492843677090489
Energy: 0.3659134601495888
Energy: 0.3588897417893936
Energy: 0.35088227459299354
Energy: 0.35114538230690645
Energy: 0.3498666858083613
Energy: 0.38586694446562747
Energy: 0.3501074867867242
Energy: 0.35551082747454127
Energy: 0.3591916542576944
Energy: 0.3545627937010052
Energy: 0.3550179995037582
Energy: 0.38733121513002117
Energy: 0.353374132776548
Energy: 0.35169567032608057
Energy: 0.35044702679281436
Energy: 0.3629623264482359
Energy: 0.35142840974788325
Energy: 0.36250096511159224
Energy: 0.3732352143156313
Energy: 0.3722289827284464
Energy: 0.3630315345887883
Energy: 0.3726678284320592
Energy: 0.34784739528131264
Energy: 0.3876773536038836
Energy: 0.3510613150718661
Energy: 0.35025847719228737
Energy: 0.3637078305549741
Energy: 0.35295376535264145
Energy: 0.34988229344978616
Energy: 0.4912174062292687
Energy: 0.36290803098491975
Energy: 0.3503663658321439
Energy: 0.4357055170766562
Energy: 0.3662286890875234
Energy: 0.3567773626298094
Energy: 0.4913174618408296
Energy: 0.3557392428965566
Energy: 0.3495087651907473
Energy: 0.35069090956540827
Energy: 0.36266992658991004
Energy: 0.3567233639974779
Energy: 0.604166936423202
Energy: 0.3371061651591548
Energy: 0.3359228850147373
Energy: 0.36238431032111407
Energy: 0.33626727855769883
Energy: 0.357997989153721
Energy: 0.35142311235794566
Energy: 0.3358686673324666
Energy: 0.3356893849817959
Energy: 0.35166645593387125
Energy: 0.3360366009428198
Energy: 0.33655202526251715
Energy: 0.3524046971012443
Energy: 0.36308340138968437
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Energy: 0.35302114207240215
Energy: 0.3633690873313692
Energy: 0.3501898348557374
Energy: 0.3735778333490034
Energy: 0.3559853332221744
Energy: 0.3748720656945173
Energy: 0.3736763828990233
Energy: 0.35518429150293873
Energy: 0.3747193931245107
Energy: 0.34970532537292853
Energy: 0.35927342124019085
Energy: 0.35076427710306796
Energy: 0.36295230672661066
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Energy: 0.35102184448067836
Energy: 0.6185965876938834
Energy: 0.3616842590382578
Energy: 0.35740242981487486
Energy: 0.5301588622262279
Energy: 0.35480576486139465
Energy: 0.36978627711333384
Energy: 0.362677356020463
Energy: 0.36249066547892145
Energy: 0.35429430452600535
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Energy: 0.36378001704385626
Energy: 0.3366479937123843
Energy: 0.35087778672333464
Energy: 0.35462543943300645
Energy: 0.35070891438921536
Energy: 0.35190479113087253
Energy: 0.35364586572343115
Energy: 0.3500260322535433
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Energy: 0.3494492263882432
Energy: 0.35038204905222453
Energy: 0.3511318287750628
Energy: 0.3539176517803834
Energy: 0.35020169770050696
Energy: 0.34949148335315705
Energy: 0.35083268578185167
Energy: 0.3497276702582988
Energy: 0.3497132214392811
Energy: 0.35215387369720996
Energy: 0.34966370489365095
Energy: 0.38838415686986566
Energy: 0.361727720919011
Energy: 0.4322073399042065
Energy: 0.38855339029897334
Energy: 0.4431414606678936
Energy: 0.3806045259574618
Energy: 0.3874123042374327
Energy: 0.351084827928035
Energy: 0.35091717953432755
Energy: 0.35023091885462965
Energy: 0.3532892626045441
Energy: 0.3502468612379295
Energy: 0.36258300324486875
Energy: 0.37354694973762276
Energy: 0.354797454118156
Energy: 0.3640651680256669
Energy: 0.3738898363059477
Energy: 0.34137458374970553
Energy: 0.38751335626104527
Energy: 0.3532200381349406
Energy: 0.35107639632541865
Energy: 0.360740961139393
Energy: 0.3547612741931634
Energy: 0.3504917493971623
Energy: 0.4909605691817069
Energy: 0.36285290443091023
Energy: 0.35427899735476337
Energy: 0.35051563443378425
Energy: 0.3657342097454302
Energy: 0.34896183255583574
Energy: 0.4909352300241123
Energy: 0.356476798643063
Energy: 0.358246635259383
Energy: 0.43533290693807497
Energy: 0.3629581744660982
Energy: 0.351044073796497
Energy: 0.386090344079734
Energy: 0.3471401666014967
Energy: 0.3590382360369461
Energy: 0.36424498070313405
Energy: 0.3525537693647728
Energy: 0.3572859298128453
Energy: 0.35192515485789844
Energy: 0.3704814427683275
Energy: 0.36411233392028874
Energy: 0.3663674062601284
Energy: 0.45832994086936
Energy: 0.36405763044254225
Energy: 0.40332002537960265
Energy: 0.36252202999383987
Energy: 0.35861725926946925
Energy: 0.3525573294053341
Energy: 0.36232338949612997
Energy: 0.35777017698377767
Energy: 0.35218194957190924
Energy: 0.34956650313350623
Energy: 0.34924704077834406
Energy: 0.3522299775646603
Energy: 0.3499145660228247
Energy: 0.3533480778044846
Energy: 0.35011806817033725
Energy: 0.3537586954107798
Energy: 0.3515093644397497
Energy: 0.3551252619005963
Energy: 0.35206890805270574
Energy: 0.3518010705254441
Energy: 0.618438643407745
Energy: 0.36206691853156914
Energy: 0.3477362132389321
Energy: 0.4563129351262229
Energy: 0.3637411852006204
Energy: 0.34753303253900275

minimum gb energy = 0.3356893849817959 eV
minimum distance =  2.6708552681056 Angstroms
sigma value = 33


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

Energy: 0.4698612714789782
Energy: 0.4436205247125052
Energy: 0.4431185508441232
Energy: 0.3792480548419615
Energy: 0.408898485894948
Energy: 0.38118525636035866
Energy: 0.40132188877894964
Energy: 0.3745630753644539
Energy: 0.3869114261316093
Energy: 0.3761284812933665
Energy: 0.3837003874717428
Energy: 0.374645044608724
Energy: 0.38313428382348863
Energy: 0.3751627623878928
Energy: 0.37507007077977284
Energy: 0.3849534653806432
Energy: 0.37474608522946795
Energy: 0.3756867254895445
Energy: 0.39018021412681647
Energy: 0.38720348761245726
Energy: 0.37824564345211686
Energy: 0.39117266943722684
Energy: 0.37474367499327227
Energy: 0.37813363794528
Energy: 0.38239374528376474
Energy: 0.3781575220884371
Energy: 0.36476259436511604
Energy: 0.3829610635007098
Energy: 0.38913359738269426
Energy: 0.3746226952469518
Energy: 0.40294621899210925
Energy: 0.3645668151147765
Energy: 0.366507616579063
Energy: 0.4098780479348137
Energy: 0.36435447673723653
Energy: 0.3771254557932046
Energy: 0.4031819702704079
Energy: 0.3665300651149335
Energy: 0.3757995202113524
Energy: 0.3854917053866805
Energy: 0.3869718665179777
Energy: 0.3764658740177111
Energy: 0.4003102355310736
Energy: 0.3909590239954221
Energy: 0.37757747246916495
Energy: 0.36417509767960843
Energy: 0.4086378616582607
Energy: 0.37797375103297715
Energy: 0.4026688391169461
Energy: 0.36409638097914304
Energy: 0.38120167573882985
Energy: 0.36556591117802556
Energy: 0.36483868576127226
Energy: 0.3663561517645893
Energy: 0.578457552994835
Energy: 0.37368258013159505
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Energy: 0.37654052594334836
Energy: 0.38800124683411974
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Energy: 0.3627885481135467
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Energy: 0.3634990532699761
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Energy: 0.36522252094589064
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Energy: 0.3644971063207338
Energy: 0.366487248633792
Energy: 0.3642893202136994
Energy: 0.3660594244073133
Energy: 0.3633997637336463
Energy: 0.4088132392348248
Energy: 0.3740167504590229
Energy: 0.39179984110743626
Energy: 0.4090857976796571
Energy: 0.3791132900331918
Energy: 0.3924147171686116
Energy: 0.38365053159919843
Energy: 0.3891045171077056
Energy: 0.386841960233272
Energy: 0.39027584411467314
Energy: 0.3856088582314589
Energy: 0.37524751554777686
Energy: 0.7546500823430584
Energy: 0.36518183689481043
Energy: 0.3637306214571105
Energy: 0.3635250156104171
Energy: 0.37458714961665984
Energy: 0.36351199120692745

minimum gb energy = 0.3627885481135467 eV
minimum distance =  2.67914426743231 Angstroms
sigma value = 67


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

Energy: 0.5493119334378105
Energy: 0.4088813643521692
Energy: 0.408201586880452
Energy: 0.40851362812514325
Energy: 0.4158580897574993
Energy: 0.40683073507926726
Energy: 0.43343766521251076
Energy: 0.3956155396906219
Energy: 0.39525912782819944
Energy: 0.3953389911184023
Energy: 0.39689276053110556
Energy: 0.39549368892899084
Energy: 0.40894604035339915
Energy: 0.38228717944665375
Energy: 0.3950787249823242
Energy: 0.395527455648674
Energy: 0.38058439486819445
Energy: 0.3949977335274263
Energy: 0.40874909997087866
Energy: 0.3949545301788432
Energy: 0.39491985955780645
Energy: 0.39487699051999287
Energy: 0.3954907661870323
Energy: 0.39503472541770335
Energy: 0.4114246173384422
Energy: 0.396575122878002
Energy: 0.3965085094899715
Energy: 0.4116632432622139
Energy: 0.39606517426789095
Energy: 0.39683056798313243
Energy: 0.4126835012699795
Energy: 0.4001170075465023
Energy: 0.39778286701214244
Energy: 0.4128253215195187
Energy: 0.39892545953893527
Energy: 0.39786495689820844
Energy: 0.43348867221242393
Energy: 0.395851586856991
Energy: 0.39544160983455307
Energy: 0.3794468926633658
Energy: 0.3970928049513868
Energy: 0.3953594274761015

minimum gb energy = 0.3794468926633658 eV
minimum distance =  2.71829375567088 Angstroms
sigma value = 3


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

Energy: 0.7098798999188721
Energy: 0.4814749543458891
Energy: 0.4463279228485633
Energy: 0.43630929709427363
Energy: 0.7154954410858371
Energy: 0.4477048031001744
Energy: 0.44193684023552804
Energy: 0.4402530197707638
Energy: 0.4404244260257647
Energy: 0.45970060810874414
Energy: 0.4598035051684617
Energy: 0.44016345019671155
Energy: 0.44271859489241144
Energy: 0.44343614669887943
Energy: 0.4431251608888627
Energy: 0.44033576636806215
Energy: 0.44378019213052855
Energy: 0.43868382044427556
Energy: 0.4373605768541545
Energy: 0.43752116215744585
Energy: 0.43776797086825
Energy: 0.43789105345389495
Energy: 0.44179223114868055
Energy: 0.43797348908543177
Energy: 0.44403973487652443
Energy: 0.43696023524114624
Energy: 0.4367486661262204
Energy: 0.4446285181841587
Energy: 0.4371468588307764
Energy: 0.43661482956997694
Energy: 0.43758320088208486
Energy: 0.43721746203839246
Energy: 0.43686588720272734
Energy: 0.43812774417734257
Energy: 0.43791643683023285
Energy: 0.4365865081499536
Energy: 0.437513052676199
Energy: 0.4490122004552388
Energy: 0.4491842157420763
Energy: 0.4403872707229661
Energy: 0.453546882518799
Energy: 0.4484259420983392
Energy: 0.5955608988624788
Energy: 0.46652797233391
Energy: 0.4398383493318144
Energy: 0.43941517214744463
Energy: 0.44129628692847656
Energy: 0.44037594918072737
Energy: 0.4388438534650618
Energy: 0.4434602875239153
Energy: 0.43583842737772105
Energy: 0.4428367857763588
Energy: 0.43546795182642967
Energy: 0.45255689445950614
Energy: 0.4366145830347848
Energy: 0.43087553462566275
Energy: 0.4315971224415871
Energy: 0.46703802142706274
Energy: 0.4294560278051672
Energy: 0.4448872672516918
Energy: 0.4667325488653507
Energy: 0.44276832892798584
Energy: 0.4486211808532775
Energy: 0.47047470682484555
Energy: 0.43156582781556263
Energy: 0.4508085925886273
Energy: 0.4597789806240019
Energy: 0.4378172472811236
Energy: 0.4374568164754102
Energy: 0.4510725264979592
Energy: 0.4435251875676624
Energy: 0.43689999991188855
Energy: 0.4419295645549399
Energy: 0.43814933494634345
Energy: 0.43692712286913066
Energy: 0.4417878994134899
Energy: 0.43658863440483936
Energy: 0.43716500192766855
Energy: 0.4428916325067351
Energy: 0.44010850420215114
Energy: 0.4376437097624958
Energy: 0.4433279385387856
Energy: 0.4380272352586791
Energy: 0.43759734808993983
Energy: 0.5037531392192505
Energy: 0.44194894898768095
Energy: 0.4589380281807464
Energy: 0.4371609403994691
Energy: 0.4420899336625815
Energy: 0.43976214074585285
Energy: 0.47328029927088383
Energy: 0.4395083569831693
Energy: 0.441042870873088
Energy: 0.45937456281014616
Energy: 0.4598284111844456
Energy: 0.4406357601096371
Energy: 0.5059470850861304
Energy: 0.4402962269216769
Energy: 0.44091330401821893
Energy: 0.5062398161644155
Energy: 0.4388151009310332
Energy: 0.45170275494047907
Energy: 0.46442028230518584
Energy: 0.4533192473682153
Energy: 0.4467506104123789
Energy: 0.43628902677588793
Energy: 0.4382607962947294
Energy: 0.44347146936657017
Energy: 0.5196829972177252
Energy: 0.4399692462650286
Energy: 0.43829924500632034
Energy: 0.43127777411825335
Energy: 0.4573896788394921
Energy: 0.433036120120148
Energy: 0.4779888783465938
Energy: 0.4384258895460916
Energy: 0.4379980027791572
Energy: 0.432488868147744
Energy: 0.4367065532700907
Energy: 0.43273592176573283
Energy: 0.4361168499404773
Energy: 0.4486928052190237
Energy: 0.44165951681826343
Energy: 0.4382543247884303
Energy: 0.4485857140854573
Energy: 0.44140429928007907
Energy: 0.43784817442890733
Energy: 0.4414017168789817
Energy: 0.4397446632048749
Energy: 0.44169406204842787
Energy: 0.4411279263306949
Energy: 0.4396974249859271
Energy: 0.44113863586891977
Energy: 0.4439097289912874
Energy: 0.4475596985212162
Energy: 0.4418377477373498
Energy: 0.44548798495526554
Energy: 0.4440312117132316
Energy: 0.4358539661957034
Energy: 0.4390570513511113
Energy: 0.4394306790606561
Energy: 0.4361508528779804
Energy: 0.4393484782602377
Energy: 0.43883949204348627
Energy: 0.4379986598717621
Energy: 0.4380251088146669
Energy: 0.4380644828557211
Energy: 0.45390176237257945
Energy: 0.43817582376077274
Energy: 0.4387482434304584
Energy: 0.5249080399107503
Energy: 0.4409522166732426
Energy: 0.43950631212021707
Energy: 0.44716406370925166
Energy: 0.46335477201590375
Energy: 0.44750359014048235
Energy: 0.4309584941274061
Energy: 0.4575354955475882
Energy: 0.46802307178424263
Energy: 0.4482064414959543
Energy: 0.4630694923174548
Energy: 0.44771838185161117
Energy: 0.4386770621364239
Energy: 0.44026767976804965
Energy: 0.4420981214847161
Energy: 0.46900415821124886
Energy: 0.4571466660339913
Energy: 0.4386281568319624
Energy: 0.44173096218452507
Energy: 0.44337577975134335
Energy: 0.4432374374171464
Energy: 0.43957524286647937
Energy: 0.4433113373162804
Energy: 0.4396308427357315
Energy: 0.4387541633787764
Energy: 0.4459035481321394
Energy: 0.4372324649247186
Energy: 0.43958933839805303
Energy: 0.4520319073887924
Energy: 0.4369457546407967
Energy: 0.43771916596100385
Energy: 0.43795647305673313
Energy: 0.4376271617753312
Energy: 0.43817470404477066
Energy: 0.437881021667278
Energy: 0.43674414899066166
Energy: 0.44298396262659884
Energy: 0.4430838301392936
Energy: 0.4356328003043085
Energy: 0.43466842327603206
Energy: 0.45015822118838505
Energy: 0.4356250333352804
Energy: 0.5019103859445577
Energy: 0.4544036899016652
Energy: 0.4553977772136626
Energy: 0.43789473873005524
Energy: 0.4641002136550803
Energy: 0.4401091409933262
Energy: 0.4991211616831525
Energy: 0.4391151494608387
Energy: 0.4369544370564447
Energy: 0.44121700819450815
Energy: 0.45817971894836934
Energy: 0.4367006025497863
Energy: 0.43617976245101236
Energy: 0.4486783321642859
Energy: 0.44278572088984414
Energy: 0.4351193790450618
Energy: 0.4372455803966888
Energy: 0.436943074064917
Energy: 0.46223999548778294
Energy: 0.43100563548129195
Energy: 0.43178612019394247
Energy: 0.4629372795696909
Energy: 0.42963180456504396
Energy: 0.4448983787044684
Energy: 0.4607286327153315
Energy: 0.4436909253740076
Energy: 0.43540280736307113
Energy: 0.4525156421120737
Energy: 0.4430728543887813
Energy: 0.4358270849757053
Energy: 0.44272074415295853
Energy: 0.4375610614718057
Energy: 0.43734007914765416
Energy: 0.42961434917520364
Energy: 0.438701974985538
Energy: 0.4599139492873356
Energy: 0.44846951668499874
Energy: 0.44181867425773563
Energy: 0.43769439798836557
Energy: 0.4418280107475168
Energy: 0.4399816258693346
Energy: 0.4370475329720957
Energy: 0.46086471072657054
Energy: 0.43864954858260335
Energy: 0.4389753929798688
Energy: 0.43681475940393566
Energy: 0.4394150743542219
Energy: 0.4391194522866816
Energy: 0.5001551363281626
Energy: 0.4388414662343514
Energy: 0.43877386401176743
Energy: 0.4410322245726824
Energy: 0.43734470851040513
Energy: 0.438595331015023
Energy: 0.5142226460900918
Energy: 0.4472489396525079
Energy: 0.4483043361125499
Energy: 0.48185668009073107
Energy: 0.43809171291409865
Energy: 0.44410477879208715
Energy: 0.49317608179045597
Energy: 0.4408077493677515
Energy: 0.44110654363008944
Energy: 0.490496767399849
Energy: 0.4381879888565137
Energy: 0.4550985682156095
Energy: 0.4436087495939506
Energy: 0.44073724002222314
Energy: 0.4413600192236347
Energy: 0.4386311289415533
Energy: 0.4395908229997534
Energy: 0.43877240211624535
Energy: 0.6251264894030235
Energy: 0.4376610046087686
Energy: 0.46702085980713653
Energy: 0.45939909205581936
Energy: 0.4367550215093323
Energy: 0.46605947038655293
Energy: 0.44260409465562756
Energy: 0.44265761358986
Energy: 0.4422907719581168
Energy: 0.44362194192291626
Energy: 0.44163448910706843
Energy: 0.44311563049508157
Energy: 0.4358323590858726
Energy: 0.4412301468315054
Energy: 0.44031933140911333
Energy: 0.4396432264688867
Energy: 0.4398430437853993
Energy: 0.44035523861834663
Energy: 0.4363760377460516
Energy: 0.4437980994152334
Energy: 0.44213255594828516
Energy: 0.4362956836453912
Energy: 0.4407367427392844
Energy: 0.44273095100994847
Energy: 0.4360778384810067
Energy: 0.4374586106224497
Energy: 0.43972414942292354
Energy: 0.43652664411680314
Energy: 0.4377971676717251
Energy: 0.4402132866460768
Energy: 0.4418799306208488
Energy: 0.43739879444825686
Energy: 0.4386313265353942
Energy: 0.4430946926722168
Energy: 0.4381499336774028
Energy: 0.4382834401445962
Energy: 0.4418562124499637
Energy: 0.4465692536696613
Energy: 0.44202498239079063
Energy: 0.4486092764790867
Energy: 0.44943325515649235
Energy: 0.4464619396635713

minimum gb energy = 0.4294560278051672 eV
minimum distance =  2.65701417445795 Angstroms
sigma value = 81


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

Energy: 0.8120957352933859
Energy: 0.45336178604328586
Energy: 0.4220185331407226
Energy: 0.4245318056646304
Energy: 0.6325211936869077
Energy: 0.45031352710035927
Energy: 0.44989155530588554
Energy: 0.44768898247221894
Energy: 0.4478449252460126
Energy: 0.43832030091301216
Energy: 0.43572370203684735
Energy: 0.4488090317984873
Energy: 0.5136149950614252
Energy: 0.45650639114511216
Energy: 0.4516029090042678
Energy: 0.43244037639297167
Energy: 0.45133032120612077
Energy: 0.4561329442727368
Energy: 0.47706550804018455
Energy: 0.453304285648791
Energy: 0.48641060771547534
Energy: 0.47740325631817826
Energy: 0.45226659857955154
Energy: 0.44171451287731034
Energy: 0.47572507609954906
Energy: 0.44485047363435537
Energy: 0.477495576934382
Energy: 0.4770287830047154
Energy: 0.48067089812853503
Energy: 0.44160485541484973
Energy: 0.48045062251501836
Energy: 0.47948257378629144
Energy: 0.47865018904248646
Energy: 0.4857334589679087
Energy: 0.48157445396182963
Energy: 0.47928784615230946
Energy: 0.4756522946735377
Energy: 0.4838201621767026
Energy: 0.48409248574917985
Energy: 0.5041305520247025
Energy: 0.47914479797446163
Energy: 0.4795519546411062
Energy: 0.5112531042763413
Energy: 0.5337735459421383
Energy: 0.5091966212159278
Energy: 0.441489834728277
Energy: 0.5412075071231875
Energy: 0.4589360660851462
Energy: 0.4982222650264096
Energy: 0.48132686170103167
Energy: 0.4829487386602131
Energy: 0.46661788928126924
Energy: 0.4706626745651737
Energy: 0.48611495437962654
Energy: 0.4965016567888134
Energy: 0.43024328867848816
Energy: 0.43041817453051906
Energy: 0.49499332536001817
Energy: 0.4301013335808143
Energy: 0.43021631450768194
Energy: 0.4670043129716616
Energy: 0.4373106528786556
Energy: 0.4308541288121469
Energy: 0.47106511332555573
Energy: 0.42425456485094504
Energy: 0.4720463352407095
Energy: 0.45266716483035163
Energy: 0.4783533324661922
Energy: 0.47987018278924387
Energy: 0.4514693933237768
Energy: 0.4810667584064812
Energy: 0.4795562023663391
Energy: 0.4526367613721728
Energy: 0.48504634310089717
Energy: 0.49178172658484914
Energy: 0.45177879771835594
Energy: 0.4844329044082516
Energy: 0.45099414969355883
Energy: 0.46590596829595515
Energy: 0.48415511929033794
Energy: 0.4832107211153095
Energy: 0.46564425505586915
Energy: 0.4827238124174469
Energy: 0.48301306676193895
Energy: 0.5428959491373467
Energy: 0.485951452182811
Energy: 0.4827008518424822
Energy: 0.48242035294928104
Energy: 0.4857927365296612
Energy: 0.48210435044959915
Energy: 0.4834010436540417
Energy: 0.48176779805427067
Energy: 0.48212919992362424
Energy: 0.4844253202540367
Energy: 0.47477293777554813
Energy: 0.48260837439437576
Energy: 0.5425269794530286
Energy: 0.44153573681597336
Energy: 0.44201064903173787
Energy: 0.5426338461656222
Energy: 0.4450952421412347
Energy: 0.45326307835572177
Energy: 0.45917619137359544
Energy: 0.46642885404581125
Energy: 0.4704507844198677
Energy: 0.46824995919377
Energy: 0.4706124662797689
Energy: 0.48266081554749163
Energy: 0.4055261132125168
Energy: 0.4595934407855847
Energy: 0.40313396263480766
Energy: 0.4139153605067873
Energy: 0.46014706592409155
Energy: 0.40310487321452737
Energy: 0.40548885295068127
Energy: 0.4597691077576728
Energy: 0.4029163204085926
Energy: 0.4023090975280032
Energy: 0.4595472420309377
Energy: 0.40290383110261346
Energy: 0.4591603348008912
Energy: 0.46685595312540784
Energy: 0.46614828922288043
Energy: 0.47015885018846454
Energy: 0.4668775566838734
Energy: 0.4788064787696885
Energy: 0.48083108618762405
Energy: 0.45099307150923124
Energy: 0.4517343743412839
Energy: 0.48031006411707194
Energy: 0.4504291428072487
Energy: 0.4648171026340301
Energy: 0.4802710187265138
Energy: 0.48452263171180837
Energy: 0.48414706052391765
Energy: 0.4804347276957835
Energy: 0.47170374636501555
Energy: 0.4780542597691885
Energy: 0.48355531783739625
Energy: 0.48002137067410805
Energy: 0.4820762159052134
Energy: 0.47986848299913515
Energy: 0.48223170401383375
Energy: 0.48212264866037935
Energy: 0.4638372930775236
Energy: 0.48437708882500563
Energy: 0.4834008112116079
Energy: 0.48004555615365135
Energy: 0.48551392369822777
Energy: 0.48455261350019496
Energy: 0.5105601430239047
Energy: 0.5202453723382043
Energy: 0.5201786166921246
Energy: 0.4449088518898269
Energy: 0.5468889748404303
Energy: 0.5073519530656277
Energy: 0.4655896385577914
Energy: 0.5066246001494922
Energy: 0.5067538662401827
Energy: 0.43691252857458157
Energy: 0.5089434028040288
Energy: 0.482781049537353
Energy: 0.46412014472756935
Energy: 0.43836002862664425
Energy: 0.46488384247904124
Energy: 0.471121799156963
Energy: 0.4346692962668169
Energy: 0.46476826168500396
Energy: 0.48974934452513486
Energy: 0.4299967941867172
Energy: 0.4304843141701765
Energy: 0.4921501905064365
Energy: 0.4300372347315511
Energy: 0.4302672741672763
Energy: 0.49998876027265715
Energy: 0.4794702066931782
Energy: 0.4801469523169847
Energy: 0.46641019103603953
Energy: 0.47026283981529815
Energy: 0.46445194114138144
Energy: 0.45335127828846045
Energy: 0.49166171442006895
Energy: 0.47795223389933883
Energy: 0.4513950060139268
Energy: 0.49166972150909105
Energy: 0.45047019559993756
Energy: 0.4788304209365439
Energy: 0.4752645723370738
Energy: 0.4602377831463174
Energy: 0.4754450629494648
Energy: 0.47519196171936423
Energy: 0.4817783367261608
Energy: 0.5351367041846063
Energy: 0.4756426844132279
Energy: 0.4782352847405895
Energy: 0.4867879595417094
Energy: 0.47485792423620937
Energy: 0.477211442096069
Energy: 0.4790558727661956
Energy: 0.4416799658194904
Energy: 0.47781693001375125
Energy: 0.48785569503141085
Energy: 0.47720452808833846
Energy: 0.44912109818447105
Energy: 0.4805009125960471
Energy: 0.44730133245690873
Energy: 0.4911215772474799
Energy: 0.4822740557620231
Energy: 0.44475319430982396
Energy: 0.44803063891223044
Energy: 0.5306151238630287
Energy: 0.4461416272126475
Energy: 0.4459587289869145
Energy: 0.487419455639412
Energy: 0.44461928106733695
Energy: 0.4805766626058862
Energy: 0.47510313786493585
Energy: 0.4474921590211525
Energy: 0.44775518322239055
Energy: 0.43779564257823256
Energy: 0.4355968327473642
Energy: 0.4468818390261787
Energy: 0.5223103108977467
Energy: 0.4485658504635568
Energy: 0.42230123371351475
Energy: 0.42707586849862644
Energy: 0.4485271036734067
Energy: 0.45182040415907576

minimum gb energy = 0.4023090975280032 eV
minimum distance =  2.64547316338029 Angstroms
sigma value = 43


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

Energy: 0.7680811855721029
Energy: 0.49793652146335876
Energy: 0.459956843507317
Energy: 0.4281736781657923
Energy: 0.4732596628684529
Energy: 0.4278634287381734
Energy: 0.41825509627831176
Energy: 0.429309690334591
Energy: 0.4377361643823316
Energy: 0.4481695005237992
Energy: 0.4275794328660644
Energy: 0.41912541534869036
Energy: 0.4194712964598189
Energy: 0.4172181282080414
Energy: 0.4169703852005891
Energy: 0.4197401602320629
Energy: 0.4177157993711461
Energy: 0.421239290224069
Energy: 0.4238099378251895
Energy: 0.4183876917220087
Energy: 0.4258656851716601
Energy: 0.4239533215297807
Energy: 0.44369746674086397
Energy: 0.42201113530932677
Energy: 0.41998112470782045
Energy: 0.4328415634689955
Energy: 0.42992949669657987
Energy: 0.42032296674524877
Energy: 0.4325181708525222
Energy: 0.43180112357218287
Energy: 0.42107285680285605
Energy: 0.43210166082225004
Energy: 0.43158612817086095
Energy: 0.43164316749794057
Energy: 0.4248379008202863
Energy: 0.42987315731691544
Energy: 0.41973077953420884
Energy: 0.42313489883058664
Energy: 0.42308800965353055
Energy: 0.4276400372385552
Energy: 0.42240019479926183
Energy: 0.4255252779884106
Energy: 0.47369155268507424
Energy: 0.4195634522403322
Energy: 0.4198121168859563
Energy: 0.4321613415480333
Energy: 0.42031131300383284
Energy: 0.4202074426155652
Energy: 0.41914625004384665
Energy: 0.4192803992041142
Energy: 0.41951171808137544
Energy: 0.4196527966968572
Energy: 0.41910771529818686
Energy: 0.4194519195708858
Energy: 0.5051802287328397
Energy: 0.42373309042338403
Energy: 0.42418680290225524
Energy: 0.4564311441201757
Energy: 0.4245492157670981
Energy: 0.4497917307446946
Energy: 0.4268329142520149
Energy: 0.429465489747462
Energy: 0.4389650658701091
Energy: 0.4211692713035957
Energy: 0.4261952287575201
Energy: 0.4367300438585001
Energy: 0.4356442299994845
Energy: 0.4215921280435882
Energy: 0.42202852231423504
Energy: 0.4194955852962346
Energy: 0.4247585763764344
Energy: 0.42240912653420326
Energy: 0.4344668411038195
Energy: 0.42090113306508664
Energy: 0.42729354874566267
Energy: 0.4195951290334803
Energy: 0.4490306082968794
Energy: 0.4275765307772613
Energy: 0.42575693414640814
Energy: 0.41907547625838804
Energy: 0.43440892765788547
Energy: 0.4223756417931761
Energy: 0.4191535297042434
Energy: 0.43777200328465193
Energy: 0.429267709771346
Energy: 0.4235929318300554
Energy: 0.4360625069642863
Energy: 0.43654659874314633
Energy: 0.4201576205515186
Energy: 0.4416861519961707
Energy: 0.4265808058796932
Energy: 0.43286499766629033
Energy: 0.42706597498149723
Energy: 0.4244207457130755
Energy: 0.43475455624075593
Energy: 0.4245792317312567
Energy: 0.4249996809695479
Energy: 0.4357938986450633
Energy: 0.43837183623515036
Energy: 0.4250217254958486
Energy: 0.4307129690284238
Energy: 0.43903968563200835
Energy: 0.42433011588316694
Energy: 0.43575037652993287
Energy: 0.43243172220712484
Energy: 0.4296900992305182
Energy: 0.42991251142675313
Energy: 0.43201819985242557
Energy: 0.42878214777177676
Energy: 0.4243837090871137
Energy: 0.4245571041349145
Energy: 0.43473655971556163
Energy: 0.42415404783105876
Energy: 0.42315055608247704
Energy: 0.42780333943197046
Energy: 0.4242378899972875
Energy: 0.4250135413144843
Energy: 0.4293239649830854
Energy: 0.4243872538307933
Energy: 0.42275545383805463
Energy: 0.4239359271009301
Energy: 0.43009442577258855
Energy: 0.43588262151689927
Energy: 0.43257675724020755
Energy: 0.42743691861328315
Energy: 0.43261080992271356
Energy: 0.4738544392164307
Energy: 0.42782574204252455
Energy: 0.4279535563393332
Energy: 0.47421916043135465
Energy: 0.41781340189899957
Energy: 0.42942236865566097
Energy: 0.4333688727819719
Energy: 0.4296449620284052
Energy: 0.429717058802421
Energy: 0.4332257565194006
Energy: 0.429994868775104
Energy: 0.43563205061488713
Energy: 0.4435014169851256
Energy: 0.4251571629354793
Energy: 0.43234575013278764
Energy: 0.44413244965413734
Energy: 0.4249781059229335
Energy: 0.43180057775754727
Energy: 0.43338390236917096
Energy: 0.4242776510243493
Energy: 0.4244878312900776
Energy: 0.4304550782230352
Energy: 0.42405505925445663
Energy: 0.43198918257503305
Energy: 0.44865528325070003
Energy: 0.4276839945999204
Energy: 0.4327653190138837
Energy: 0.43762103113172635
Energy: 0.4256515437585918
Energy: 0.43655333426441734
Energy: 0.44864547642210106
Energy: 0.42706038902239907
Energy: 0.4363904732119636
Energy: 0.4308860318917015
Energy: 0.4297645550968379
Energy: 0.4359993365793227
Energy: 0.4510148039027212
Energy: 0.42786222538468666
Energy: 0.42809182132046636
Energy: 0.4210602957291589
Energy: 0.4239695688912417
Energy: 0.4255852906444856
Energy: 0.41954829690107587
Energy: 0.4218062340485446
Energy: 0.4216108218685055
Energy: 0.4195301590839486
Energy: 0.43229168175008315
Energy: 0.4233014968082517
Energy: 0.42380684062460017
Energy: 0.42555319055975893
Energy: 0.4235382172205261
Energy: 0.4481680676717496
Energy: 0.421836503102654
Energy: 0.41936045087050283
Energy: 0.41992246953938467
Energy: 0.4567355621907312
Energy: 0.42786199626397625
Energy: 0.4302504335057314
Energy: 0.4906092299476004
Energy: 0.4281262358938108

minimum gb energy = 0.4169703852005891 eV
minimum distance =  2.64447499369538 Angstroms
sigma value = 57


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

Energy: 0.593919421027648
Energy: 0.43125868418641894
Energy: 0.4313644711377618
Energy: 0.40892546177149625
Energy: 0.48926476526388857
Energy: 0.43154967561276253
Energy: 0.4085785612782908
Energy: 0.43189804618459793
Energy: 0.4228469734283523
Energy: 0.4338822323246087
Energy: 0.4323484220005839
Energy: 0.425160385054492
Energy: 0.41602063429511893
Energy: 0.40279717220999395
Energy: 0.40408397554863185
Energy: 0.42712674376076404
Energy: 0.4029032483379023
Energy: 0.4046565436977326
Energy: 0.42729494306744276
Energy: 0.4022493960605698
Energy: 0.40296547096415014
Energy: 0.42624346740709484
Energy: 0.40249256375069636
Energy: 0.4269710170797336
Energy: 0.4290196473351502
Energy: 0.4189744414201345
Energy: 0.4180574464767919
Energy: 0.42850542365745253
Energy: 0.4208554258055003
Energy: 0.42200404396942465
Energy: 0.4042571683853257
Energy: 0.421266232408371
Energy: 0.4212819085627682
Energy: 0.4247664385581648
Energy: 0.42062601271446254
Energy: 0.41881592586969807
Energy: 0.42145156285711083
Energy: 0.42704333484217716
Energy: 0.42746497108983034
Energy: 0.42707003508902625
Energy: 0.427186968825393
Energy: 0.421595945094172
Energy: 0.43449982027621814
Energy: 0.4212291768139945
Energy: 0.4164004577816684
Energy: 0.4223972330666974
Energy: 0.4213550165894258
Energy: 0.42627509355343557
Energy: 0.43254668828803006
Energy: 0.4283118234330737
Energy: 0.4280903283661533
Energy: 0.4325965667575769
Energy: 0.4323720372595067
Energy: 0.42031937862798247
Energy: 0.513246597493936
Energy: 0.4238900712297046
Energy: 0.4227242923152984
Energy: 0.5130682496182711
Energy: 0.42513703812496617
Energy: 0.42287059080337425
Energy: 0.4182726329422344
Energy: 0.41906676905156864
Energy: 0.42597396066707227
Energy: 0.4252377247814964
Energy: 0.43412138262471733
Energy: 0.4265714799575023
Energy: 0.40607660194184697
Energy: 0.4297012176135671
Energy: 0.42733228801546924
Energy: 0.4076568967212759
Energy: 0.42860343788516364
Energy: 0.4405758548625567
Energy: 0.4072458440923634
Energy: 0.4278221314264276
Energy: 0.436903222509023
Energy: 0.40231381071029976
Energy: 0.42826678581995803
Energy: 0.4376097501694424
Energy: 0.4228238524964362
Energy: 0.42741304550993664
Energy: 0.4248794879760419
Energy: 0.4322979259286282
Energy: 0.4341128629212792
Energy: 0.4218889291183818
Energy: 0.4210618139094353
Energy: 0.40646206308414656
Energy: 0.4087920601056575
Energy: 0.4197452545180395
Energy: 0.4062477461182534
Energy: 0.4085716783338985
Energy: 0.4282221457699224
Energy: 0.42131773148130897
Energy: 0.4208395870263398
Energy: 0.4288175839748559
Energy: 0.4218993684416957
Energy: 0.4214282360124957
Energy: 0.4325175274382829
Energy: 0.42139299829779164
Energy: 0.4197617138348485
Energy: 0.4206673111140944
Energy: 0.42180354268923187
Energy: 0.41745394446278455
Energy: 0.43244981021683343
Energy: 0.4204835262390528
Energy: 0.4218614854221315
Energy: 0.42057726756150665
Energy: 0.4275413931893811
Energy: 0.41792440684708476
Energy: 0.4356089996001918
Energy: 0.42674145675980724
Energy: 0.4280414370734794
Energy: 0.4217717905916411
Energy: 0.42653243881852837
Energy: 0.42596369022220365
Energy: 0.43574981360654375
Energy: 0.4275002324500419
Energy: 0.4277314717515342
Energy: 0.42250800765452157
Energy: 0.42759310265071776
Energy: 0.42769042743748403
Energy: 0.4297262592331447
Energy: 0.4304168817874646
Energy: 0.41981595307246394
Energy: 0.4271497470064956
Energy: 0.43511426812940024
Energy: 0.423431612378116
Energy: 0.4653031778743838
Energy: 0.4222285742391523
Energy: 0.4176861322923699
Energy: 0.41806622243949354
Energy: 0.42233183464857404
Energy: 0.4184163573615754
Energy: 0.42356253733568583
Energy: 0.43540467601318866
Energy: 0.4290199690601162
Energy: 0.43181501501668856
Energy: 0.4341993218717968
Energy: 0.42169308366515273
Energy: 0.40748621090672793
Energy: 0.42752884213684533
Energy: 0.4365702830978581
Energy: 0.4023915758520997
Energy: 0.42828847592322244
Energy: 0.4374736984167347

minimum gb energy = 0.4022493960605698 eV
minimum distance =  2.63997102099642 Angstroms
sigma value = 17


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

Energy: 0.6804176243030251
Energy: 0.46639578536995213
Energy: 0.5003945107928635
Energy: 0.4047345407363665
Energy: 0.4336545442364338
Energy: 0.40400131036623177
Energy: 0.4039928597075925
Energy: 0.4467187521618618
Energy: 0.44357451596819125
Energy: 0.45328921231553
Energy: 0.4604263514023399
Energy: 0.4163064288790429
Energy: 0.5513226540361496
Energy: 0.3927524801493321
Energy: 0.40020478918101215
Energy: 0.4411437434215108
Energy: 0.39209520819009086
Energy: 0.4000947230803962
Energy: 0.44037011333728315
Energy: 0.39689360239188026
Energy: 0.4019531743484449
Energy: 0.4403708996818125
Energy: 0.40018214352520076
Energy: 0.44017661489747506
Energy: 0.3982370407644021
Energy: 0.39443593679719485
Energy: 0.3891315595278054
Energy: 0.3987194700960321
Energy: 0.39631813562459695
Energy: 0.38870479545836817
Energy: 0.4000081575357089
Energy: 0.39705175386589997
Energy: 0.3966276844258109
Energy: 0.3866834525795459
Energy: 0.39711222842772576
Energy: 0.38588289178687146
Energy: 0.3935377358573715
Energy: 0.39336838198028934
Energy: 0.39304068107877177
Energy: 0.3973612419446089
Energy: 0.395121896600513
Energy: 0.3872314460189939
Energy: 0.39053434747051397
Energy: 0.38469589146552613
Energy: 0.38254694954305757
Energy: 0.3840751218052728
Energy: 0.3842485157635768
Energy: 0.3967620069873596
Energy: 0.3940054393572786
Energy: 0.38185472845981594
Energy: 0.3820069782581908
Energy: 0.3949327740043456
Energy: 0.3841918796566539
Energy: 0.39039981087046327
Energy: 0.3982023349508674
Energy: 0.39213776160605796
Energy: 0.3926042139864234
Energy: 0.39343339420912565
Energy: 0.3914757899905968
Energy: 0.39596720862156004
Energy: 0.400725096450975
Energy: 0.3885559596596247
Energy: 0.38878613297304476
Energy: 0.39633284018579273
Energy: 0.44942515604175737
Energy: 0.38896194385053356
Energy: 0.39871775594776443
Energy: 0.44856565729645403
Energy: 0.4483644441633138
Energy: 0.3891590346447011
Energy: 0.45111048163128165
Energy: 0.4481254642898191
Energy: 0.40127293771427797
Energy: 0.4393272352721188
Energy: 0.4382446347643417
Energy: 0.38945265522797
Energy: 0.43896150455693156
Energy: 0.43813232962525106
Energy: 0.4527571991433577
Energy: 0.44670535536871125
Energy: 0.44679339279221153
Energy: 0.4544636715328752
Energy: 0.4493129505553491
Energy: 0.41206958362578644
Energy: 0.42862138391506394
Energy: 0.4519416090253492
Energy: 0.4484128841924517
Energy: 0.46987103863722013
Energy: 0.4513881938087804
Energy: 0.4510421225545739
Energy: 0.502116472825893
Energy: 0.4517724363802585
Energy: 0.413897168057023
Energy: 0.44881003562701033
Energy: 0.45459347208609496
Energy: 0.44336262929238535
Energy: 0.4437090187723692
Energy: 0.44047631104346535
Energy: 0.4922885934509091
Energy: 0.4023120182364122
Energy: 0.4398497959459442
Energy: 0.49243435690822007

minimum gb energy = 0.38185472845981594 eV
minimum distance =  2.6622281469102 Angstroms
sigma value = 17


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

Energy: 0.7189713423537376
Energy: 0.4776736330840868
Energy: 0.40407697028013967
Energy: 0.39292251697578257
Energy: 0.44429545784136604
Energy: 0.40327723690746586
Energy: 0.4063530856490497
Energy: 0.4314297709567828
Energy: 0.3706130895409275
Energy: 0.4435012481228186
Energy: 0.4408304672247044
Energy: 0.4019868032457931
Energy: 0.5272035271363075
Energy: 0.3578404139049162
Energy: 0.3748776347316728
Energy: 0.4441612806143112
Energy: 0.35806202476114957
Energy: 0.379889331505884
Energy: 0.4416878324496462
Energy: 0.3887778787401575
Energy: 0.3900322936328781
Energy: 0.442401164298325
Energy: 0.3609766008566229
Energy: 0.3993253421608041
Energy: 0.38710909021844975
Energy: 0.3732615144756599
Energy: 0.37451770315634875
Energy: 0.3876343312158178
Energy: 0.38074967951268335
Energy: 0.37184423382315246
Energy: 0.39110868733751025
Energy: 0.3822420076998941
Energy: 0.35624794322096254
Energy: 0.35755036495603343
Energy: 0.3811925813546299
Energy: 0.3568099750161791
Energy: 0.35723496319000125
Energy: 0.38565680154364435
Energy: 0.38129554779064395
Energy: 0.3566552867682906
Energy: 0.38322607098880984
Energy: 0.3673300702086159
Energy: 0.35827331181500643
Energy: 0.3492559128143443
Energy: 0.3522768171483226
Energy: 0.35339589144669836
Energy: 0.34933326578793356
Energy: 0.3521694410000491
Energy: 0.35955723348871194
Energy: 0.3556135204583477
Energy: 0.35378383832478294
Energy: 0.3587872111104258
Energy: 0.3563692381752477
Energy: 0.3577754734213559
Energy: 0.3574390107353271
Energy: 0.3517859192658573
Energy: 0.3518433780240956
Energy: 0.35747242750082303
Energy: 0.3513146100794788
Energy: 0.35190092447013444
Energy: 0.365841137517983
Energy: 0.3581771316520647
Energy: 0.35127323388744824
Energy: 0.35063212516979175
Energy: 0.3576295422663993
Energy: 0.3510858142798281
Energy: 0.35974036450744146
Energy: 0.36276564083375556
Energy: 0.35781622987424067
Energy: 0.3603517694267244
Energy: 0.3602073408665293
Energy: 0.3606874769574641
Energy: 0.36490062790225636
Energy: 0.35191616590104075
Energy: 0.35181584312096104
Energy: 0.3526659087464073
Energy: 0.3537417206634193
Energy: 0.35290717305944247
Energy: 0.3821644268188503
Energy: 0.3542807274781244
Energy: 0.35409222068346374
Energy: 0.3827335045326995
Energy: 0.3564216824443328
Energy: 0.3814172602805456
Energy: 0.38115514108160803
Energy: 0.3590270632792782
Energy: 0.35633686262762926
Energy: 0.38119223322073814
Energy: 0.35926135781998286
Energy: 0.3687844346395229
Energy: 0.44249385965546933
Energy: 0.3820450948325534
Energy: 0.37084402856719256
Energy: 0.3808620256818144
Energy: 0.3878630273287904
Energy: 0.37400940245422154
Energy: 0.3580490822281192
Energy: 0.440087555135238
Energy: 0.4400301528251106
Energy: 0.3587362602492179
Energy: 0.44381460783386684
Energy: 0.3695365771199328
Energy: 0.37850006050579255
Energy: 0.43160051508921343
Energy: 0.43026683708144126
Energy: 0.38705784044600006
Energy: 0.4437810355992645
Energy: 0.38079823610690455
Energy: 0.48843229629957546
Energy: 0.4403519827432904
Energy: 0.40444002713766386
Energy: 0.4401488151044144
Energy: 0.38716251764267784
Energy: 0.3749043722420196
Energy: 0.5289465308425501
Energy: 0.3817663588789301
Energy: 0.3815483735578605
Energy: 0.4336677441083616
Energy: 0.3826283399734543
Energy: 0.43436043906780886
Energy: 0.5215697767440999
Energy: 0.4249359057085875
Energy: 0.42512617571619166
Energy: 0.44124751483402774
Energy: 0.4436257761714335
Energy: 0.4356175556200698
Energy: 0.3635229825419837
Energy: 0.4342090715982263
Energy: 0.4793296031831884
Energy: 0.3817521422427012
Energy: 0.43413938698059323
Energy: 0.39550659587639925
Energy: 0.3648668402033951
Energy: 0.43484388871032403
Energy: 0.43277235013294585
Energy: 0.36571358694012185
Energy: 0.44784802131323426
Energy: 0.4699427971024291
Energy: 0.5271711837179263
Energy: 0.3770994687101387
Energy: 0.4341877676574952
Energy: 0.44090288472665273
Energy: 0.36405558746874694
Energy: 0.42767296210393024
Energy: 0.4395777955559469
Energy: 0.3588586096011541
Energy: 0.3790442200850905
Energy: 0.4397242436900057
Energy: 0.3592170644470543
Energy: 0.3854745283804127
Energy: 0.38845843838270727
Energy: 0.36919510510800463
Energy: 0.373004007541164
Energy: 0.38857858923443056
Energy: 0.3799755641924346
Energy: 0.3819627984221071
Energy: 0.3520295701745413
Energy: 0.37580382129359435
Energy: 0.3752821542265911
Energy: 0.3578826513558125
Energy: 0.3803020103272613
Energy: 0.35724204994040054
Energy: 0.3560217208432492
Energy: 0.3849863102268521
Energy: 0.38152584175999815
Energy: 0.3569358650518294
Energy: 0.38238817080467413
Energy: 0.3812308124745462
Energy: 0.3605652471902283
Energy: 0.3549179224586898
Energy: 0.3552311149660092
Energy: 0.3550657886727407
Energy: 0.3816716893391246
Energy: 0.35537898977530485
Energy: 0.36396484065161466
Energy: 0.34891138289209295
Energy: 0.35249536351736305
Energy: 0.35772581173405976
Energy: 0.34914114151416564
Energy: 0.35219339070913663
Energy: 0.36044926605329786
Energy: 0.35126220399578606
Energy: 0.3508111630495514
Energy: 0.3609489068786235
Energy: 0.35029478293570315
Energy: 0.35600409718318193
Energy: 0.3583170516118826
Energy: 0.35012245475675224
Energy: 0.3515401428104041
Energy: 0.3499688323241961
Energy: 0.3510988117886369
Energy: 0.35056101271573537
Energy: 0.36276526185736574
Energy: 0.3607884098994387
Energy: 0.3579614804116759
Energy: 0.362911412565106
Energy: 0.35838417024619657
Energy: 0.357715345414514
Energy: 0.36645713447924255
Energy: 0.3575761098555383
Energy: 0.3534339304391056
Energy: 0.3553477223780062
Energy: 0.35228782368784967
Energy: 0.354171225083187
Energy: 0.3855995982607792
Energy: 0.3535643631294047
Energy: 0.3534816771791932
Energy: 0.38611891693785333
Energy: 0.3536992011716527
Energy: 0.35369984362446183
Energy: 0.3861092646439813
Energy: 0.35357878965123785
Energy: 0.36623533878111925
Energy: 0.38679053672603697
Energy: 0.3537053886007283
Energy: 0.38171757735530804
Energy: 0.49010745701570524
Energy: 0.36926803447569306
Energy: 0.36643007123949245
Energy: 0.3816364692838233
Energy: 0.38718885918735896
Energy: 0.37760230269045797
Energy: 0.3616298283947177
Energy: 0.44356474199272977
Energy: 0.43986415276165247
Energy: 0.37772644632555463
Energy: 0.4408897046572016
Energy: 0.3819907590405258
Energy: 0.35779803711455893
Energy: 0.4238778311577797
Energy: 0.381546302492719
Energy: 0.369637361790433
Energy: 0.43384202600372807
Energy: 0.379125791920697
Energy: 0.3815734156761651
Energy: 0.4198418860033236
Energy: 0.41137054559038144
Energy: 0.38806279246272685
Energy: 0.44210778150547214
Energy: 0.4036198806382365
Energy: 0.49195235557264533
Energy: 0.3702461718316432
Energy: 0.42192096640907867
Energy: 0.4415645321806186
Energy: 0.37059814578300315
Energy: 0.429194367560489
Energy: 0.5267766215060161
Energy: 0.40068090597741324
Energy: 0.3714707092624135
Energy: 0.44109986331335727
Energy: 0.3877376133119812
Energy: 0.4267729184691509
Energy: 0.365670824631041
Energy: 0.43526060198040817
Energy: 0.43274145872562897
Energy: 0.36637811710793167
Energy: 0.4412129533304106
Energy: 0.41078999528025134

minimum gb energy = 0.34891138289209295 eV
minimum distance =  2.66811877499259 Angstroms
sigma value = 57


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

Energy: 0.3339090194154386
Energy: 0.4533083981973415
Energy: 0.3885120848086065
Energy: 0.3445107876630773
Energy: 0.5728541712606491
Energy: 0.3847006260415899
Energy: 0.48413069503367406
Energy: 0.3521762214106352
Energy: 0.3539346465325719
Energy: 0.41708852086702086
Energy: 0.4264886513677312
Energy: 0.38575892945108187
Energy: 0.4975588107803952
Energy: 0.3378200167464337
Energy: 0.3381591261849617
Energy: 0.4295562835337929
Energy: 0.33754333057953323
Energy: 0.35966632776031704
Energy: 0.4265565471639275
Energy: 0.3376714844376731
Energy: 0.36694884957197477
Energy: 0.4266858546081535
Energy: 0.3474475063383002
Energy: 0.3799369002164088
Energy: 0.3668618968453353
Energy: 0.3568821675844957
Energy: 0.35399903662581894
Energy: 0.3675314697686723
Energy: 0.3721177557612055
Energy: 0.3568565629332141
Energy: 0.3266786053645768
Energy: 0.3709502457376006
Energy: 0.33698837172768387
Energy: 0.3266645764758277
Energy: 0.37025787162338375
Energy: 0.3374421004192887
Energy: 0.3423997465633138
Energy: 0.37435731969928454
Energy: 0.3776585770933453
Energy: 0.33259376416331354
Energy: 0.37389688379482383
Energy: 0.3332852245624464
Energy: 0.4482763013253855
Energy: 0.3247341413847677
Energy: 0.32471041985514093
Energy: 0.3336099013649313
Energy: 0.32461673977877276
Energy: 0.3385158833958805
Energy: 0.3436694370711027
Energy: 0.3426158584497872
Energy: 0.34372811869653447
Energy: 0.3447373613262925
Energy: 0.346396635438234
Energy: 0.3500588956107587
Energy: 0.3510768250224996
Energy: 0.3284805094691034
Energy: 0.3282741648046917
Energy: 0.35133079284436275
Energy: 0.3286062776692664
Energy: 0.32874669220001074
Energy: 0.3327552952735358
Energy: 0.3296578829964184
Energy: 0.3313691512696408
Energy: 0.3210056593728569
Energy: 0.3375968696374986
Energy: 0.3316443888189666
Energy: 0.34459982904926173
Energy: 0.3345036213739965
Energy: 0.3370137293987552
Energy: 0.33194707228219344
Energy: 0.33400074700188276
Energy: 0.3244727674559749
Energy: 0.3294129100920893
Energy: 0.34278793556230397
Energy: 0.32739931664271366
Energy: 0.32692242883909833
Energy: 0.34375500628587197
Energy: 0.3272335153657253
Energy: 0.33018563340858625
Energy: 0.3242335756468258
Energy: 0.33020993999596254
Energy: 0.33111173698744667
Energy: 0.33525358820668116
Energy: 0.33682289980748864
Energy: 0.3293846385595574
Energy: 0.32351671001510324
Energy: 0.3226921603571315
Energy: 0.329476918391362
Energy: 0.32439386991429586
Energy: 0.3226602101359178
Energy: 0.3510184989129859
Energy: 0.34985769426160135
Energy: 0.32677777918153494
Energy: 0.327789663149151
Energy: 0.34802113909376425
Energy: 0.32615129691219336
Energy: 0.33117022307605565
Energy: 0.34810743336910854
Energy: 0.34215928571327103
Energy: 0.3275423313263534
Energy: 0.3460560245446162
Energy: 0.3365639587658248
Energy: 0.3316999154758722
Energy: 0.33694975059750143
Energy: 0.33748762370760593
Energy: 0.33212541737051227
Energy: 0.3432791539018691
Energy: 0.33711124981239526
Energy: 0.3708072316727589
Energy: 0.33316325617875053
Energy: 0.35090011153017325
Energy: 0.37172699121792907
Energy: 0.3378882190250674
Energy: 0.3780818759075654
Energy: 0.4202476638845968
Energy: 0.3394886497265726
Energy: 0.33915760683543766
Energy: 0.3651124713296963
Energy: 0.33732251671974955
Energy: 0.3529197941607531
Energy: 0.46659154942890196
Energy: 0.3672276823747993
Energy: 0.36722859583712403
Energy: 0.3652001924652475
Energy: 0.36596199359479653
Energy: 0.3527162663287964
Energy: 0.33013002785615386
Energy: 0.4320391374142727
Energy: 0.37099216221777054
Energy: 0.33228538567325033
Energy: 0.4299440856950708
Energy: 0.34850619124786253
Energy: 0.3449279081990447
Energy: 0.39579832634848927
Energy: 0.40059432824422914
Energy: 0.34577750747262265
Energy: 0.4271488990803774
Energy: 0.3914923109785477
Energy: 0.46656679516761884
Energy: 0.3672246905073312
Energy: 0.3520789231084126
Energy: 0.3655423168825523
Energy: 0.3725439282347008
Energy: 0.35452589936874823
Energy: 0.5009030200752443
Energy: 0.3496040012690208
Energy: 0.35327899503653915
Energy: 0.43208442529441526
Energy: 0.34981111405481097
Energy: 0.4075632211510437
Energy: 0.49296449969605666
Energy: 0.3937303763249447
Energy: 0.3942855962817314
Energy: 0.4280424340714197
Energy: 0.4162273380702377
Energy: 0.3503216374279091
Energy: 0.33271214201321664
Energy: 0.4215030286636522
Energy: 0.37924701258142574
Energy: 0.3394625410769214
Energy: 0.41959853578104594
Energy: 0.3586389641112679

minimum gb energy = 0.3210056593728569 eV
minimum distance =  2.6770028763632 Angstroms
sigma value = 43


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

Energy: 0.28593034999160727
Energy: 0.369953783114284
Energy: 0.3375688766184409
Energy: 0.29077821750265614
Energy: 0.36451721975170914
Energy: 0.3225786701657485
Energy: 0.4058599748962912
Energy: 0.29814963895043933
Energy: 0.2950762008894152
Energy: 0.3462431616463626
Energy: 0.3166774716757985
Energy: 0.29612382590601627
Energy: 0.4272804991358633
Energy: 0.2830567935023231
Energy: 0.29207032205466876
Energy: 0.3485199220571698
Energy: 0.2819222416268908
Energy: 0.292348800799487
Energy: 0.36986899449611993
Energy: 0.29162604178265283
Energy: 0.2925363341816947
Energy: 0.31793850389457234
Energy: 0.3576949760873924
Energy: 0.3282753889762114
Energy: 0.34431554541301573
Energy: 0.29844496649617785
Energy: 0.29896914600932023
Energy: 0.31229562544802547
Energy: 0.31414591603170816
Energy: 0.2952424296475856
Energy: 0.2770381720281192
Energy: 0.3284413326216063
Energy: 0.287532709072034
Energy: 0.27702910760898425
Energy: 0.3280339226007293
Energy: 0.2961121736528986
Energy: 0.3695182445435621
Energy: 0.3283446843142292
Energy: 0.32819573845228633
Energy: 0.2818572360510534
Energy: 0.33158876900691847
Energy: 0.28118526916543973
Energy: 0.38774516355976785
Energy: 0.2719948930208788
Energy: 0.27666399828247795
Energy: 0.2800710693035492
Energy: 0.271508987828207
Energy: 0.27609630128695056
Energy: 0.30467675377051134
Energy: 0.2758375460629542
Energy: 0.2982973189906456
Energy: 0.30551598216226256
Energy: 0.2825579615302785
Energy: 0.30337954626015823
Energy: 0.2957246622262814
Energy: 0.2735467618970461
Energy: 0.273476826178731
Energy: 0.30354823711614637
Energy: 0.2737698783056144
Energy: 0.27309712432950894
Energy: 0.27477263315675593
Energy: 0.2883041867628429
Energy: 0.27107592921348866
Energy: 0.2710163548811846
Energy: 0.2884803781260536
Energy: 0.2699409630033438
Energy: 0.30644115625382784
Energy: 0.288588353375021
Energy: 0.2883896193222485
Energy: 0.27084348099153016
Energy: 0.2925350999829333
Energy: 0.2705311087655468
Energy: 0.37267388203357366
Energy: 0.2803027473615756
Energy: 0.2945814182643092
Energy: 0.295113651351239
Energy: 0.2690529233669593
Energy: 0.2952225641536063
Energy: 0.27971963899114244
Energy: 0.2771378837688964
Energy: 0.2797333868434619
Energy: 0.28052599754021024
Energy: 0.27573675532374475
Energy: 0.2797206333155253
Energy: 0.2795861577461116
Energy: 0.26819104341849287
Energy: 0.26761939423058606
Energy: 0.27952905501710845
Energy: 0.2678538025550221
Energy: 0.26740692274920225
Energy: 0.276397794081474
Energy: 0.27568911691691683
Energy: 0.2730940917958392
Energy: 0.2658674825093479
Energy: 0.27577510300871777
Energy: 0.2657920442096807
Energy: 0.28148385003587983
Energy: 0.2756721421691818
Energy: 0.2758418770666653
Energy: 0.2690167899362964
Energy: 0.27584686335114295
Energy: 0.26939321016587076
Energy: 0.27560686978109816
Energy: 0.26879288494614595
Energy: 0.26988491207501314
Energy: 0.27581096539983074
Energy: 0.2894706038940656
Energy: 0.26967299958669044
Energy: 0.2759356068742734
Energy: 0.2760936677331405
Energy: 0.27594379694826804
Energy: 0.27682115224202214
Energy: 0.30951279745424765
Energy: 0.27590129761298793
Energy: 0.2757336542009635
Energy: 0.27182680239847057
Energy: 0.2721148226774657
Energy: 0.275865349398884
Energy: 0.2911307028866349
Energy: 0.27240808567166924
Energy: 0.29018375589835976
Energy: 0.27975671256721635
Energy: 0.2797923245546735
Energy: 0.27230677486287475
Energy: 0.27984324723419846
Energy: 0.27204635330319626
Energy: 0.2766915398659088
Energy: 0.2797338105795892
Energy: 0.27765718687273444
Energy: 0.2673389939729932
Energy: 0.2800755868468714
Energy: 0.26725646857334295
Energy: 0.2882364862547899
Energy: 0.2696625045717792
Energy: 0.2693810246748358
Energy: 0.2883322578656085
Energy: 0.26863154334477995
Energy: 0.26910374477273824
Energy: 0.2885387061316701
Energy: 0.2863404265692418
Energy: 0.28836471298337474
Energy: 0.28945152829515847
Energy: 0.27568950916980417
Energy: 0.28839112636186653
Energy: 0.3786248409079566
Energy: 0.2828381694322538
Energy: 0.28786178969560255
Energy: 0.3031751179726169
Energy: 0.27062593402701174
Energy: 0.2871035190315468
Energy: 0.3520264156375543
Energy: 0.30358949212626063
Energy: 0.30351723693449884
Energy: 0.27184361774879523
Energy: 0.3077219665921593
Energy: 0.27192287835784995
Energy: 0.2761090912020508
Energy: 0.3032725206789063
Energy: 0.2802243186216867
Energy: 0.27120334289615294
Energy: 0.30337571384286266
Energy: 0.2745299250746074
Energy: 0.3037563582061539
Energy: 0.2832796927146207
Energy: 0.2818650012162828
Energy: 0.308200179090797
Energy: 0.296044708284281
Energy: 0.2810119855702024
Energy: 0.32990170094583754
Energy: 0.28310703073705484
Energy: 0.2956587763591941
Energy: 0.3307502670759746
Energy: 0.2821616231848722
Energy: 0.32832380215774426
Energy: 0.4016493660597239
Energy: 0.2771405341621586
Energy: 0.2843014326242546
Energy: 0.3171416916769191
Energy: 0.27656863695269013
Energy: 0.2841848226816984
Energy: 0.39987810592374434
Energy: 0.3168134667464248
Energy: 0.31667162545132965
Energy: 0.3173928807495949
Energy: 0.3165754090260066
Energy: 0.2977130815822017
Energy: 0.28089812902330175
Energy: 0.3706509413660797
Energy: 0.30066308946772397
Energy: 0.2828490025900756
Energy: 0.3705716410982989
Energy: 0.28968059168125027
Energy: 0.3684482178665414
Energy: 0.3286693982111189
Energy: 0.3205656377098691
Energy: 0.31910601710856507
Energy: 0.322044394680896
Energy: 0.3200740575883953
Energy: 0.4005947878221254
Energy: 0.3018789976523753
Energy: 0.3016977770801218
Energy: 0.3179525368002346
Energy: 0.3703851805827518
Energy: 0.3466993923052957
Energy: 0.4263269083997409
Energy: 0.2921212724044148
Energy: 0.30451518607972766
Energy: 0.3485853858258654
Energy: 0.2916788035255683
Energy: 0.3217855898483227
Energy: 0.40585997436254745
Energy: 0.3279603789908563
Energy: 0.3204019750502973
Energy: 0.3463743318048852
Energy: 0.346681009383176
Energy: 0.325761259194624

minimum gb energy = 0.2657920442096807 eV
minimum distance =  2.68359389595246 Angstroms
sigma value = 81


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

Energy: 0.1471917282006626
Energy: 0.1652770428127419
Energy: 0.02212606449711911
Energy: 0.022938452273657393
Energy: 0.2444048077145549
Energy: 0.14738983960931146
Energy: 0.1651253329842056
Energy: 0.2599451166071726
Energy: 0.2586488173715569
Energy: 0.2876153918997824
Energy: 0.26106966804006276
Energy: 0.25919778783205544
Energy: 0.27442964130903613
Energy: 0.021891326432710363
Energy: 0.021993502258283865
Energy: 0.2867821059562914
Energy: 0.02184138456749095
Energy: 0.041301192992544374
Energy: 0.27247422965507806
Energy: 0.02194130639650039
Energy: 0.022203989741184996
Energy: 0.27675401410763983
Energy: 0.02190652338719265
Energy: 0.040324870347991905
Energy: 0.0401419435744086
Energy: 0.29183061716151815
Energy: 0.2917866654882746
Energy: 0.040573296445661426
Energy: 0.2917771352094304
Energy: 0.2924050410199975
Energy: 0.022247713002426183
Energy: 0.27347765146680836
Energy: 0.021971832992803156
Energy: 0.023053193547814328
Energy: 0.27305526264912994
Energy: 0.021847307242859538
Energy: 0.29057470975535704
Energy: 0.2584693792381876
Energy: 0.25884768316644496
Energy: 0.2928647778384153
Energy: 0.2575599837812546
Energy: 0.27348902607319703
Energy: 0.2897452045703998
Energy: 0.021923127163647894
Energy: 0.02194995344057135
Energy: 0.29314689847189884
Energy: 0.021844070946583388
Energy: 0.022217476435437193
Energy: 0.25792786797200884
Energy: 0.02207260265593797
Energy: 0.041346366968463034
Energy: 0.2701704970624044
Energy: 0.02192187820078898
Energy: 0.04101414571212916
Energy: 0.1472809557185698
Energy: 0.2780763348747444
Energy: 0.27649345009061305
Energy: 0.021822166660341837
Energy: 0.27633989107302354
Energy: 0.2761217921330006

minimum gb energy = 0.021822166660341837 eV
minimum distance =  2.77543833902582 Angstroms
sigma value = 3


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

Energy: 0.3401011598294197
Energy: 0.3491841222345968
Energy: 0.33232722338127657
Energy: 0.317200631619613
Energy: 0.33063752492115694
Energy: 0.31852564736744526
Energy: 0.3433353977283941
Energy: 0.33303980837408
Energy: 0.3354661499693006
Energy: 0.33370890217339744
Energy: 0.33449737143347824
Energy: 0.33529490912974297
Energy: 0.34482022750752167
Energy: 0.32045411455821105
Energy: 0.3112913073027217
Energy: 0.33165293815963653
Energy: 0.3063558187594163
Energy: 0.3272498132009258
Energy: 0.32421526812408347
Energy: 0.31122062552648116
Energy: 0.3116004850218148
Energy: 0.3221502847612933
Energy: 0.2886091807446278
Energy: 0.3282379435070899
Energy: 0.29456531017880033
Energy: 0.3365373854092285
Energy: 0.3357974609034565
Energy: 0.2945168203593221
Energy: 0.33387097108171326
Energy: 0.3354784132599768
Energy: 0.31876509076016324
Energy: 0.3343933041510634
Energy: 0.318370154337966
Energy: 0.2742217177550032
Energy: 0.33439184020443813
Energy: 0.2895951504746168
Energy: 0.32252003776351795
Energy: 0.30326521225698866
Energy: 0.3006899138922182
Energy: 0.32437177568033976
Energy: 0.30293506209852694
Energy: 0.35139803623106614
Energy: 0.3221671343162893
Energy: 0.31634271690065396
Energy: 0.31680437776134845
Energy: 0.32220091441642024
Energy: 0.2889820112571988
Energy: 0.29733559447508906
Energy: 0.3320247652049355
Energy: 0.3168090231892702
Energy: 0.33108011712119845
Energy: 0.33265270033603267
Energy: 0.27724966678854535
Energy: 0.3313039150361604
Energy: 0.2816482653063675
Energy: 0.3017771579527842
Energy: 0.29949323376734227
Energy: 0.30733866089792977
Energy: 0.3025766764540729
Energy: 0.308656819012505
Energy: 0.31775609625869106
Energy: 0.30119017497533823
Energy: 0.31711495004367835
Energy: 0.26860357991822564
Energy: 0.32166845120397675
Energy: 0.307231840093409
Energy: 0.28371102614353894
Energy: 0.3245431178243816
Energy: 0.3246242506149043
Energy: 0.28456353841545157
Energy: 0.3219957736712193
Energy: 0.28010779514703577
Energy: 0.2809453756094436
Energy: 0.3013068270689143
Energy: 0.3107153762722427
Energy: 0.28120328762590985
Energy: 0.26296494997210756
Energy: 0.2823670719039031
Energy: 0.3172004773890836
Energy: 0.2967162708026899
Energy: 0.31239076014239814
Energy: 0.2827676498708665
Energy: 0.2682395857517292
Energy: 0.3125955813939343
Energy: 0.3147643239500225
Energy: 0.2680415215386215
Energy: 0.26772069368325957
Energy: 0.3133460105991126
Energy: 0.27110026079197636
Energy: 0.26754762411253546
Energy: 0.31317219038167965
Energy: 0.3059917549850731
Energy: 0.30538449553623287
Energy: 0.3037927729419658
Energy: 0.3112431043488044
Energy: 0.30510165224571617
Energy: 0.2652224047673192
Energy: 0.3050974916479239
Energy: 0.3039064800913491
Energy: 0.26123700882236933
Energy: 0.2912749125829072
Energy: 0.26081529285551724
Energy: 0.26104173179993395
Energy: 0.30148290911556863
Energy: 0.3016506583228589
Energy: 0.26112297954449337
Energy: 0.26355015639143503
Energy: 0.301868359157635
Energy: 0.3089794154929141
Energy: 0.28335930406825144
Energy: 0.30149725072703426
Energy: 0.2629133702715803
Energy: 0.28852345899342746
Energy: 0.30154176650290826
Energy: 0.31137652156878054
Energy: 0.26111782010819234
Energy: 0.26088553058862396
Energy: 0.3118144858622668
Energy: 0.26443186277336644
Energy: 0.260850885605423
Energy: 0.3109093508869155
Energy: 0.3043354815009012
Energy: 0.30508014252092325
Energy: 0.310897959280458
Energy: 0.30471316591741615
Energy: 0.30450812152309614
Energy: 0.2694271202828991
Energy: 0.303364330190796
Energy: 0.285706016742946
Energy: 0.2693376300980385
Energy: 0.30398199390706576
Energy: 0.26779133625040835
Energy: 0.26741455724957053
Energy: 0.3126905349306973
Energy: 0.31258216692382124
Energy: 0.26742654072987765
Energy: 0.2819016623021106
Energy: 0.3097819770461291
Energy: 0.3150499581710057
Energy: 0.2814900258022805
Energy: 0.2811650811911831
Energy: 0.29045359959072353
Energy: 0.2810032050344363
Energy: 0.30443657774285265
Energy: 0.2921149918267314
Energy: 0.2810087575943666
Energy: 0.2804183678335209
Energy: 0.2923687872144359
Energy: 0.28388791328524965
Energy: 0.2803759118368679
Energy: 0.3237230771850015
Energy: 0.31284561691950585
Energy: 0.31302222469003665
Energy: 0.32440814299105475
Energy: 0.3014290844510792
Energy: 0.3209980051789624
Energy: 0.30163078156442796
Energy: 0.3127003907790051
Energy: 0.31514603292716015
Energy: 0.3015567955340937
Energy: 0.3249449054879846
Energy: 0.3002304902352814
Energy: 0.2865164986763104
Energy: 0.34044269720829917
Energy: 0.33416162649022624
Energy: 0.28657217744795205
Energy: 0.2977017144741968
Energy: 0.3338667540910039
Energy: 0.3197850769940433
Energy: 0.32256181859597965
Energy: 0.3084888984527545
Energy: 0.2717951862877604
Energy: 0.3227003093292166
Energy: 0.3088176839236444
Energy: 0.3035459479818327
Energy: 0.3256217421134468
Energy: 0.3241921884573891
Energy: 0.3035667067012901
Energy: 0.32591375112095977
Energy: 0.3310340293162432
Energy: 0.3241039781226101
Energy: 0.319022739365796
Energy: 0.3194154901910824
Energy: 0.32417242993416445
Energy: 0.2943244728274381
Energy: 0.3030691694181383
Energy: 0.34328207730899246
Energy: 0.31696367962923877
Energy: 0.3352506848974632
Energy: 0.3318568658202768
Energy: 0.2829624100184415
Energy: 0.35599832046774266
Energy: 0.30149758566626295
Energy: 0.32234882817968186
Energy: 0.3216941980174244
Energy: 0.301558986750807
Energy: 0.32537265785216885
Energy: 0.3173845642491454

minimum gb energy = 0.26081529285551724 eV
minimum distance =  2.63794280941193 Angstroms
sigma value = 67


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

Energy: 0.4131624608349108
Energy: 0.4105705548156679
Energy: 0.40709374601750015
Energy: 0.34406860087133123
Energy: 0.4067872641286339
Energy: 0.4087184574194545
Energy: 0.39642411345260303
Energy: 0.4070713811612114
Energy: 0.40604373220583745
Energy: 0.4044728528533306
Energy: 0.4074736648402523
Energy: 0.37519331944140255
Energy: 0.41655628879147794
Energy: 0.3801125856091085
Energy: 0.39948817702322986
Energy: 0.4053631579200284
Energy: 0.38052299756036323
Energy: 0.3999467309716646
Energy: 0.386978797521922
Energy: 0.39827620667722374
Energy: 0.3988262759643718
Energy: 0.3877695789038257
Energy: 0.37959849655812294
Energy: 0.39976642777907206
Energy: 0.38204240512144627
Energy: 0.4119048910700784
Energy: 0.3719132899155226
Energy: 0.38207678574894777
Energy: 0.4101880898828982
Energy: 0.3742203937749922
Energy: 0.3897363525116188
Energy: 0.40099080932288506
Energy: 0.3845855100998326
Energy: 0.35536262825767395
Energy: 0.40120999087127074
Energy: 0.3845007639557414
Energy: 0.38870594373639394
Energy: 0.3885809905985067
Energy: 0.391867323361954
Energy: 0.38884776448796254
Energy: 0.3558194030545527
Energy: 0.38549359658708376
Energy: 0.3878864235269425
Energy: 0.3424393400381921
Energy: 0.3881570597870144
Energy: 0.3883396985595052
Energy: 0.33794409536289394
Energy: 0.35687105169085725
Energy: 0.39502914119515203
Energy: 0.35575010411211333
Energy: 0.3564899143890938
Energy: 0.397502652139191
Energy: 0.3541086770121019
Energy: 0.4005400481657358
Energy: 0.36708262061958313
Energy: 0.357283809473117
Energy: 0.3593270940504667
Energy: 0.3996266839920313
Energy: 0.3558009788236747
Energy: 0.35522063044842905
Energy: 0.39543427798544095
Energy: 0.35892969819154025
Energy: 0.38806340495859976
Energy: 0.3388441241119459
Energy: 0.38693218663011236
Energy: 0.3893566968090257
Energy: 0.3410253523716261
Energy: 0.3867856768147679
Energy: 0.38656904927044855
Energy: 0.34156789321086073
Energy: 0.3564593938489904
Energy: 0.33764752085394717
Energy: 0.34283826799926087
Energy: 0.34194467351454544
Energy: 0.3828496863291898
Energy: 0.3434062497841428
Energy: 0.3391423127562469
Energy: 0.33702121996751183
Energy: 0.38537374168893
Energy: 0.38351370030247345
Energy: 0.38278710500100854
Energy: 0.3383685871643528
Energy: 0.36415058818126544
Energy: 0.3823486182045532
Energy: 0.38675758164103247
Energy: 0.34028478030679044
Energy: 0.3428242398562966
Energy: 0.38720697869897597
Energy: 0.33895987866766425
Energy: 0.3378670787868654
Energy: 0.3862410858707607
Energy: 0.3898773136212173
Energy: 0.387537253613738
Energy: 0.35655055638884153
Energy: 0.368300510907569
Energy: 0.38645479092219776
Energy: 0.3586221184266308
Energy: 0.33811217451812636
Energy: 0.3811178816504584
Energy: 0.35899054550216647
Energy: 0.3342202558888221
Energy: 0.3536000706591241
Energy: 0.35838940616836396
Energy: 0.39910687158938496
Energy: 0.40105739004272556
Energy: 0.35842970474074715
Energy: 0.39812228904172947
Energy: 0.35546021675850786
Energy: 0.38445981026102183
Energy: 0.33942983477690536
Energy: 0.36607285943764367
Energy: 0.3436160660267063
Energy: 0.39598563858034214
Energy: 0.38004095904399776
Energy: 0.3558867058267163
Energy: 0.38611590203335405
Energy: 0.3889010307050301
Energy: 0.3533288948113218
Energy: 0.38618652507016016
Energy: 0.3584516010051415
Energy: 0.3875903014823364
Energy: 0.4012458009619602
Energy: 0.3452568992527865
Energy: 0.38786511013508035
Energy: 0.3631148793426681
Energy: 0.3465090864271184
Energy: 0.4164245841045215
Energy: 0.39528320226971436
Energy: 0.34401778297460206
Energy: 0.40482558005794855
Energy: 0.3987433444540899
Energy: 0.34520044688245066
Energy: 0.3963661779237901
Energy: 0.3885680278984527
Energy: 0.38902815097142585
Energy: 0.39688285602524487
Energy: 0.38676461032813847
Energy: 0.3847258607882527

minimum gb energy = 0.3342202558888221 eV
minimum distance =  2.62882464588201 Angstroms
sigma value = 33


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

Energy: 0.4763723570217564
Energy: 0.4726063143741449
Energy: 0.4746358269261699
Energy: 0.4502537922570119
Energy: 0.46340942847340844
Energy: 0.4565250451025893
Energy: 0.4425411951096308
Energy: 0.4225623535599279
Energy: 0.4222759026263733
Energy: 0.4214944496313029
Energy: 0.42285504528612333
Energy: 0.3938525937220092
Energy: 0.47216119088956987
Energy: 0.4244977186911435
Energy: 0.3896937013421813
Energy: 0.4552667554123804
Energy: 0.4257005241818769
Energy: 0.38791888995416357
Energy: 0.4604229011773932
Energy: 0.442275463981383
Energy: 0.3904081249323237
Energy: 0.42239840796350026
Energy: 0.4507318429950006
Energy: 0.42119208560780247
Energy: 0.4217396368381557
Energy: 0.4228855696575328
Energy: 0.39237948407279877
Energy: 0.4220006228693961
Energy: 0.4241923093743554
Energy: 0.39284675826384885
Energy: 0.4454036136182022
Energy: 0.38873491759224865
Energy: 0.38903641277008444
Energy: 0.3900851999905523
Energy: 0.3881016239662448
Energy: 0.38992476437569235
Energy: 0.42209609587126223
Energy: 0.38938749804660544
Energy: 0.4259554323439618
Energy: 0.4221960962205056
Energy: 0.42348204739340434
Energy: 0.42222019329387994
Energy: 0.42202885359181314
Energy: 0.38788198929341794
Energy: 0.3913190768036916
Energy: 0.4222063739294318
Energy: 0.3906077902227257
Energy: 0.3921515483753862
Energy: 0.41332137399522423
Energy: 0.42129032042845826
Energy: 0.44269977422186685
Energy: 0.3930744905633601
Energy: 0.3889279982760453
Energy: 0.4405717927033623
Energy: 0.43773088977892144
Energy: 0.3912891985082915
Energy: 0.3886336357700815
Energy: 0.41294166265500604
Energy: 0.38878541385061516
Energy: 0.3886842759653268
Energy: 0.4123461945766926
Energy: 0.39034801675798386
Energy: 0.43269925342959664
Energy: 0.38965654018663737
Energy: 0.4131461374261009
Energy: 0.4330023834685799
Energy: 0.39301009373760815
Energy: 0.3890268774725338
Energy: 0.4332620622695512
Energy: 0.38850299598992055
Energy: 0.4005835083576601
Energy: 0.38858981797582753
Energy: 0.3884133195861742
Energy: 0.4400404211627047
Energy: 0.4067641979230814
Energy: 0.3881128272569
Energy: 0.3931386755793649
Energy: 0.38826634300236745
Energy: 0.37832393782824325
Energy: 0.39209896778396003
Energy: 0.3917968125647126
Energy: 0.37994040442802773
Energy: 0.4449687312809684
Energy: 0.3979126029122904
Energy: 0.37826443378712316
Energy: 0.4245541592536724
Energy: 0.39190135288888284
Energy: 0.3786330236612561
Energy: 0.4229328531150624
Energy: 0.39369251174555897
Energy: 0.3940901114409431
Energy: 0.37834699469363636
Energy: 0.37796619017950756
Energy: 0.39365209324199685
Energy: 0.3963005474864516
Energy: 0.3930503579241505
Energy: 0.49595556885374126
Energy: 0.4010412746339689
Energy: 0.4392027094894957
Energy: 0.45608317053812736
Energy: 0.39896907742121496
Energy: 0.3792503194892386
Energy: 0.48199256592981166
Energy: 0.4247560780709511
Energy: 0.4239075115753182
Energy: 0.4209575900361746
Energy: 0.42377683514085807
Energy: 0.45470254491057066
Energy: 0.4473625795159507
Energy: 0.42397164883879
Energy: 0.45786196220546227
Energy: 0.39969135906065023
Energy: 0.42374811875108337
Energy: 0.41057880975569827
Energy: 0.4423883571973028
Energy: 0.4228050938041145
Energy: 0.42238204271612123
Energy: 0.44290740101476367
Energy: 0.4637619603605193
Energy: 0.3929680184608516
Energy: 0.47436558609694074
Energy: 0.4423209954763593
Energy: 0.4523045184159942
Energy: 0.42559976218231466
Energy: 0.42796298873537447
Energy: 0.42199681545725837
Energy: 0.4232839697501777
Energy: 0.417823843088599
Energy: 0.4237982983475325
Energy: 0.4241572932568526
Energy: 0.4218051033396058
Energy: 0.4235700810629265
Energy: 0.4217915245582191
Energy: 0.4226203301681936
Energy: 0.3929638462373233
Energy: 0.4219096586768871
Energy: 0.4229843668677825
Energy: 0.39316049132120895
Energy: 0.4236661770667579
Energy: 0.388329927241941
Energy: 0.3884717607437701
Energy: 0.3886892460224796
Energy: 0.3881300595967678
Energy: 0.4196223299280666
Energy: 0.4219383158462869
Energy: 0.42400682957943475
Energy: 0.4252341254532612
Energy: 0.4221505237087372
Energy: 0.38943909008629185
Energy: 0.4515417976385537
Energy: 0.42649820759768486
Energy: 0.3929184497135576
Energy: 0.3928520367456798
Energy: 0.42681991231735866
Energy: 0.3901695866704626
Energy: 0.39248579909985776
Energy: 0.413069059068229
Energy: 0.3906137846533973
Energy: 0.39586923853776346
Energy: 0.413291077613214
Energy: 0.3976628256882524
Energy: 0.44144351869422715
Energy: 0.4127306192827328
Energy: 0.3915234305598214
Energy: 0.38869737619916866
Energy: 0.41324795392214175
Energy: 0.3889868394333852
Energy: 0.38859192882938154
Energy: 0.41185604092470174
Energy: 0.41409242071298774
Energy: 0.41927163074956963
Energy: 0.39040452531120756
Energy: 0.38960836720103004
Energy: 0.43474713024185635
Energy: 0.38842531275472186
Energy: 0.38883813289365904
Energy: 0.40923566073025947
Energy: 0.3884671515096668
Energy: 0.3975699326069807
Energy: 0.38872580023219544
Energy: 0.3900903601979848
Energy: 0.4393368177119998
Energy: 0.38882555033563554
Energy: 0.3907479673171185
Energy: 0.3929713956167813
Energy: 0.38841586781720594
Energy: 0.3782149861947847
Energy: 0.39240989296521417
Energy: 0.39183861961823224
Energy: 0.3801653378285128
Energy: 0.4126001110483515
Energy: 0.43213509528880223
Energy: 0.3789296164515505
Energy: 0.4256139893031792
Energy: 0.3945875298826179
Energy: 0.3785697408996977
Energy: 0.4237425776959978
Energy: 0.3941174027004798
Energy: 0.3932041750034456
Energy: 0.4313587326508092
Energy: 0.3931938139551665
Energy: 0.3928280500875013
Energy: 0.3959793273239929
Energy: 0.42889519614386373
Energy: 0.49719165458372583
Energy: 0.3968591745651771
Energy: 0.3888976232378422
Energy: 0.4971415989433598
Energy: 0.3807675822725265
Energy: 0.4141661941979492
Energy: 0.4801624909018168
Energy: 0.42189368957202206
Energy: 0.4249177085738994
Energy: 0.4207347011460036
Energy: 0.42271866271728736
Energy: 0.42466621883552014
Energy: 0.4463922184587315
Energy: 0.4241464468626806
Energy: 0.4577665342705041
Energy: 0.39806801017287985
Energy: 0.42353428360341216
Energy: 0.3801986865065948

minimum gb energy = 0.37796619017950756 eV
minimum distance =  2.64133224900516 Angstroms
sigma value = 41


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

Energy: 0.624246059944453
Energy: 0.5113066770433979
Energy: 0.5117325604242872
Energy: 0.44801732165190433
Energy: 0.47422173658499933
Energy: 0.5121000149318008
Energy: 0.48534690365337724
Energy: 0.47498395977221675
Energy: 0.47545693298984515
Energy: 0.4736461639552513
Energy: 0.4747248380621758
Energy: 0.4591090943484368
Energy: 0.5508735803822008
Energy: 0.449470170225655
Energy: 0.44778452120002665
Energy: 0.47355077065151757
Energy: 0.4651645069649271
Energy: 0.47288596753940915
Energy: 0.47555347411122284
Energy: 0.4495684950777863
Energy: 0.44860793991356274
Energy: 0.4758482872165825
Energy: 0.4504634274564341
Energy: 0.46521610309439293
Energy: 0.46405101267895227
Energy: 0.47526488618399204
Energy: 0.47589393017843923
Energy: 0.46416600758763654
Energy: 0.47492476272536877
Energy: 0.45892623132198473
Energy: 0.4796677832131569
Energy: 0.49244626640049277
Energy: 0.4591194721699874
Energy: 0.45130283045605496
Energy: 0.4933097814190442
Energy: 0.4487996919501768
Energy: 0.4635356420283439
Energy: 0.4580325267982177
Energy: 0.4573275460350557
Energy: 0.4635289181320913
Energy: 0.44973621604792774
Energy: 0.4512751528833125
Energy: 0.464944237739493
Energy: 0.4495103790187328
Energy: 0.4513864019185651
Energy: 0.46556985060837947
Energy: 0.4517065964678175
Energy: 0.4637558892364548
Energy: 0.4997658007135659
Energy: 0.4502301754865791
Energy: 0.4492109503022983
Energy: 0.5022078615977954
Energy: 0.48124580586518584
Energy: 0.44881954130027046
Energy: 0.47942237619158473
Energy: 0.46648728703311265
Energy: 0.4701873479242112
Energy: 0.4729030478750774
Energy: 0.46408215810867043
Energy: 0.44910867799051674
Energy: 0.5135635480989565
Energy: 0.4757110599943595
Energy: 0.45168416092600305
Energy: 0.4498759841099242
Energy: 0.4403288806752509
Energy: 0.4512473014894067
Energy: 0.5343490117527067
Energy: 0.4403491795430557
Energy: 0.4732775143382522
Energy: 0.5348716480320215
Energy: 0.44466133857544854
Energy: 0.4771027393334299
Energy: 0.5466331454299674
Energy: 0.4643232478995968
Energy: 0.473378018137327
Energy: 0.47367987494314856
Energy: 0.46674163527028734
Energy: 0.45886390805445704
Energy: 0.43981520969776317
Energy: 0.4732923051850823
Energy: 0.4413357319784
Energy: 0.4429482533693448
Energy: 0.4732347483973373
Energy: 0.44079354696914014

minimum gb energy = 0.43981520969776317 eV
minimum distance =  2.64817212788293 Angstroms
sigma value = 11


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

Energy: 0.7821497634392838
Energy: 0.6770671461784509
Energy: 0.5475071474009234
Energy: 0.524569645636142
Energy: 0.5394367120708308
Energy: 0.525166626994898
Energy: 0.5747960405688486
Energy: 0.5148056006080438
Energy: 0.5147955698679186
Energy: 0.5432946583780519
Energy: 0.5149832847484176
Energy: 0.5086370037147063
Energy: 0.5593713949159749
Energy: 0.5262980683067181
Energy: 0.5312332755603227
Energy: 0.607888629622868
Energy: 0.5082555482587436
Energy: 0.5292405024235511
Energy: 0.5350805418207375
Energy: 0.5076014482459456
Energy: 0.5238936358786817
Energy: 0.5248428370040287
Energy: 0.5094872878192173
Energy: 0.5239802321724614
Energy: 0.5423750954309287
Energy: 0.514849415390656
Energy: 0.5148983586746487
Energy: 0.5233983882746235
Energy: 0.517326727286354
Energy: 0.5165872277890208
Energy: 0.5351485569021689
Energy: 0.5231013659562508
Energy: 0.5211558660782635
Energy: 0.5294013437292192
Energy: 0.5233579728488276
Energy: 0.5256128315015555
Energy: 0.5230699021572626
Energy: 0.5254267764841456
Energy: 0.5195554962750537
Energy: 0.523045182846411
Energy: 0.5197674187433772
Energy: 0.5215845589490318
Energy: 0.5227309982676164
Energy: 0.528462898218129
Energy: 0.515117412985291
Energy: 0.5143893901596515
Energy: 0.5418807290380765
Energy: 0.5151430901433319
Energy: 0.525593995722626
Energy: 0.5376534502408068
Energy: 0.5269423790079397
Energy: 0.5102741762202502
Energy: 0.5308210624349646
Energy: 0.5097277558997353
Energy: 0.5237483351732556
Energy: 0.5289880191018606
Energy: 0.5239755780991051
Energy: 0.517192741057305
Energy: 0.5322129919108182
Energy: 0.5098603466585196
Energy: 0.5229163812645985
Energy: 0.5219493156419802
Energy: 0.5147274238696978
Energy: 0.514480776022799
Energy: 0.5224506899058158
Energy: 0.5148303587073356
Energy: 0.5161541835816202
Energy: 0.5257260923119327
Energy: 0.5266400871000629
Energy: 0.517355372514845
Energy: 0.5282781699102648
Energy: 0.5500926216701496
Energy: 0.5143540976615748
Energy: 0.5259386136014628
Energy: 0.5206260978402718
Energy: 0.5144148971499912
Energy: 0.5445555645443657
Energy: 0.5087850218056785
Energy: 0.5300293418510881
Energy: 0.5703967466837045
Energy: 0.533038926399066
Energy: 0.5226501486909768
Energy: 0.5643411998607609
Energy: 0.5272746594880554
Energy: 0.5081047206323469
Energy: 0.5204537719248263
Energy: 0.5086381008151936
Energy: 0.5083586868983371
Energy: 0.5214325895942077
Energy: 0.5086236165435905
Energy: 0.5084206356959845
Energy: 0.5416853667824225
Energy: 0.5083516044515971
Energy: 0.5091806968608528
Energy: 0.5206445930587307
Energy: 0.5084062660752526
Energy: 0.5078362894075372
Energy: 0.525149022960474
Energy: 0.51103540875128
Energy: 0.5079948397648255
Energy: 0.5183088634476996
Energy: 0.5172008035211356
Energy: 0.6286515921694709
Energy: 0.5598418981415793
Energy: 0.5421805845927796
Energy: 0.5225564565714023
Energy: 0.5572706282687295
Energy: 0.5244783761154965
Energy: 0.5227937529501463
Energy: 0.5179717328502182
Energy: 0.5181203805120138
Energy: 0.5229896678204902
Energy: 0.5191993942260922
Energy: 0.5204164919112448
Energy: 0.5320398720793953
Energy: 0.5295143447987148
Energy: 0.5350978588089758
Energy: 0.5283668511719463
Energy: 0.5089416126004093
Energy: 0.5258573926117912
Energy: 0.5641197788010037
Energy: 0.5086163054710819
Energy: 0.525218912022623
Energy: 0.5224266065125434
Energy: 0.5095917800908571
Energy: 0.5259133482870597
Energy: 0.5258811922019812
Energy: 0.5298636277262679
Energy: 0.5260288635120938
Energy: 0.5134088371100695
Energy: 0.5283382977520495
Energy: 0.5247018712225647
Energy: 0.531070937267973
Energy: 0.5289686972828244
Energy: 0.5267902835126598
Energy: 0.5213270721752936
Energy: 0.5280762998964232
Energy: 0.5275867743576758
Energy: 0.5606468950225817
Energy: 0.522976013906709
Energy: 0.5224474821995408
Energy: 0.5237505991443651
Energy: 0.5231494792126393
Energy: 0.5232094314309831
Energy: 0.5559670262022515
Energy: 0.5249578039928641
Energy: 0.5246651368566692
Energy: 0.5566534673028797
Energy: 0.5151622958815235
Energy: 0.5291857212294542
Energy: 0.5615742611925258
Energy: 0.515508697861393
Energy: 0.516903186068015
Energy: 0.5194982517010892
Energy: 0.5084582004581426
Energy: 0.5084597582270011
Energy: 0.5598185879114805
Energy: 0.5120171039879751
Energy: 0.5082791746477004
Energy: 0.5234023434082542
Energy: 0.5095144741908617
Energy: 0.5085291934441512
Energy: 0.5599777934753146
Energy: 0.5168519057453623
Energy: 0.5088687231908292
Energy: 0.5217019352573372
Energy: 0.514202185231026
Energy: 0.5087919242698314
Energy: 0.5596163111029334
Energy: 0.5239756239858046
Energy: 0.5248516126479518
Energy: 0.5339240764757498
Energy: 0.5221969306912287
Energy: 0.5249197207282178
Energy: 0.6120996419005078
Energy: 0.5146018086088147
Energy: 0.5144425525351273
Energy: 0.5253097901766534
Energy: 0.5145226428952901
Energy: 0.524302679446737
Energy: 0.5262299201421016
Energy: 0.5183433126108813
Energy: 0.5279675350642788
Energy: 0.5300620623288903
Energy: 0.5168150447450466
Energy: 0.5260526713065594

minimum gb energy = 0.5076014482459456 eV
minimum distance =  2.64736284174804 Angstroms
sigma value = 57


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

Energy: 0.7083575184253039
Energy: 0.5853648093323481
Energy: 0.5867286470791653
Energy: 0.5831342497770765
Energy: 0.7703506524468224
Energy: 0.5844061506927481
Energy: 0.5027055174060505
Energy: 0.5192317111512831
Energy: 0.5152791525634427
Energy: 0.5222171332112767
Energy: 0.5235088165301568
Energy: 0.5150365972030034
Energy: 0.5503122268609241
Energy: 0.5159494178521271
Energy: 0.5193269765593765
Energy: 0.5484629414869836
Energy: 0.520430559205695
Energy: 0.5155088093451565
Energy: 0.5431107424438631
Energy: 0.5171541221239433
Energy: 0.5143854203855595
Energy: 0.5214720137375695
Energy: 0.5195294652501533
Energy: 0.5143872117648418
Energy: 0.5210730588341941
Energy: 0.5225955681116651
Energy: 0.5166882734670725
Energy: 0.5219630105570822
Energy: 0.5207950897960681
Energy: 0.5145747134197979
Energy: 0.5217566101981275
Energy: 0.5487219398955305
Energy: 0.5489135018487411
Energy: 0.5215397411682634
Energy: 0.5521046698663793
Energy: 0.5222071986856004
Energy: 0.548718156123543
Energy: 0.5369558262975916
Energy: 0.5112159243912985
Energy: 0.5493624051424426
Energy: 0.533771553234073
Energy: 0.5481841597969342
Energy: 0.5770476922097706
Energy: 0.5240571464354953
Energy: 0.5150966693768537
Energy: 0.5228873356716424
Energy: 0.5208058403321736
Energy: 0.5142161309564834
Energy: 0.5313699509797097
Energy: 0.5449569275602217
Energy: 0.5354036258205995
Energy: 0.5060385499739605
Energy: 0.5436584566505782
Energy: 0.5051171832324192
Energy: 0.5302568018172322
Energy: 0.546495958226417
Energy: 0.5350936576405695
Energy: 0.505614762944361
Energy: 0.5491669976974402
Energy: 0.5043808649156488
Energy: 0.5483136615856282
Energy: 0.5250915336732112
Energy: 0.5156927129337076
Energy: 0.5228274905922108
Energy: 0.5211565513467513
Energy: 0.5143101839203083
Energy: 0.543619983497696
Energy: 0.5604761170552901
Energy: 0.5633461718560518
Energy: 0.5441024975344457
Energy: 0.562132126617693
Energy: 0.5435936634199091
Energy: 0.5266043998659492
Energy: 0.5183641942201606
Energy: 0.5146785012975562
Energy: 0.5223054929655165
Energy: 0.5229071925392388
Energy: 0.5144780810275712
Energy: 0.521622692862551
Energy: 0.5520178484617393
Energy: 0.5440912375942765
Energy: 0.5209694618731684
Energy: 0.5491904288320858
Energy: 0.5443050610192925
Energy: 0.5217297018832011
Energy: 0.5318939175408361
Energy: 0.5154308880254471
Energy: 0.5224259992756173
Energy: 0.5312411889723251
Energy: 0.5141377341898322
Energy: 0.5513440941466768
Energy: 0.5324920152508985
Energy: 0.5034836419321455
Energy: 0.5495754649713397
Energy: 0.5318860360271505
Energy: 0.5169386743328219
Energy: 0.5027428872979607
Energy: 0.5248077176339118
Energy: 0.5151700828866169
Energy: 0.5032825707919241
Energy: 0.5241936859818649
Energy: 0.5150489783395384

minimum gb energy = 0.5027055174060505 eV
minimum distance =  2.64258579493674 Angstroms
sigma value = 9


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

Energy: 0.8551931436475695
Energy: 0.5859659070599982
Energy: 0.5625496614224275
Energy: 0.5739176034923711
Energy: 0.8171344851215677
Energy: 0.6064406816020793
Energy: 0.5667447360395617
Energy: 0.56198668271293
Energy: 0.5512891390248508
Energy: 0.5498750771683135
Energy: 0.5619702871815034
Energy: 0.5538295118654862
Energy: 0.5560670500257487
Energy: 0.5562246143107291
Energy: 0.5547903933610442
Energy: 0.5543460198956461
Energy: 0.5496447853740847
Energy: 0.5522464247249388
Energy: 0.548286552985475
Energy: 0.549802765393778
Energy: 0.561957878364666
Energy: 0.5488090747417752
Energy: 0.5494224496021468
Energy: 0.5509738511930014
Energy: 0.5746751948743825
Energy: 0.5364194872828798
Energy: 0.5374217189120616
Energy: 0.5332458718340785
Energy: 0.5337111454837641
Energy: 0.5342864995998351
Energy: 0.5551373281110002
Energy: 0.5527416357951349
Energy: 0.5518991575051014
Energy: 0.5562033777386792
Energy: 0.5547647154363676
Energy: 0.5522513906320876
Energy: 0.5439829934634154
Energy: 0.551669354853228
Energy: 0.5447974678007926
Energy: 0.5442588884833823
Energy: 0.55336547843838
Energy: 0.5504933395985541
Energy: 0.5631656138999657
Energy: 0.5502222158509712
Energy: 0.5547335388432968
Energy: 0.5434969604500801
Energy: 0.5513884894300286
Energy: 0.5569758713082695
Energy: 0.6241707162175283
Energy: 0.5360252877963557
Energy: 0.5384136651428014
Energy: 0.5654296889300917
Energy: 0.544011122712494
Energy: 0.5534970265871851
Energy: 0.5648842857980381
Energy: 0.5354531892125749
Energy: 0.5387630487042103
Energy: 0.5499993075024442
Energy: 0.5442731116259989
Energy: 0.5337380416980674
Energy: 0.5633595158795761
Energy: 0.5459800729418072
Energy: 0.5339472516724811
Energy: 0.5453501077557557
Energy: 0.549725335043365
Energy: 0.5356334055135952
Energy: 0.5671541744976851
Energy: 0.5567349119702224
Energy: 0.5551164635269894
Energy: 0.5560598334710302
Energy: 0.5507361501201291
Energy: 0.5531653162165192
Energy: 0.6563828064438844
Energy: 0.5508231222928818
Energy: 0.5511851260342966
Energy: 0.5571289606814794
Energy: 0.5493573890461667
Energy: 0.55202297932575
Energy: 0.5640571577067922
Energy: 0.5502465719525449
Energy: 0.551355518035694
Energy: 0.5578772389820721
Energy: 0.5615505724820641
Energy: 0.5510550931151734
Energy: 0.5632345007144318
Energy: 0.5324302530487846
Energy: 0.532780129146055
Energy: 0.5546486017778385
Energy: 0.5322410522050776
Energy: 0.5355280905135099
Energy: 0.5544260257928975
Energy: 0.5575052847266084
Energy: 0.5319379034355063
Energy: 0.5549176111132472
Energy: 0.549131843831042
Energy: 0.537352040076088
Energy: 0.5588556923659531
Energy: 0.5496428080859926
Energy: 0.5615425273804856
Energy: 0.5522139669920324
Energy: 0.5491932095688483
Energy: 0.5512017731469615
Energy: 0.6171985709267928
Energy: 0.5502199340726723
Energy: 0.5365901174568125
Energy: 0.5362368837691578
Energy: 0.5566425640974548
Energy: 0.5339732565999401
Energy: 0.5547421868924394
Energy: 0.5506496146041623
Energy: 0.5532695055362601
Energy: 0.5548230900993201
Energy: 0.5445192821803962
Energy: 0.5536818739674183
Energy: 0.554638473871981
Energy: 0.5507197448261426
Energy: 0.5569981677695132
Energy: 0.5433936434184029
Energy: 0.5504511495870401
Energy: 0.5535849216573672
Energy: 0.5576523216357657
Energy: 0.5365997450188518
Energy: 0.5518208976554305
Energy: 0.5509867934303154
Energy: 0.5565637103914896
Energy: 0.5331323178838795

minimum gb energy = 0.5319379034355063 eV
minimum distance =  2.647162868188 Angstroms
sigma value = 27


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

Energy: 0.6863130323591045
Energy: 0.5571182142852461
Energy: 0.5576577564972608
Energy: 0.5509183239623074
Energy: 0.8171360423107765
Energy: 0.5566478712790083
Energy: 0.5508877199911676
Energy: 0.5491505685731773
Energy: 0.5697598045954624
Energy: 0.5383032585772464
Energy: 0.5477946298039772
Energy: 0.5390748169845474
Energy: 0.5461349519949655
Energy: 0.5341411519618083
Energy: 0.5722704704370697
Energy: 0.5342408400735781
Energy: 0.5474896212561261
Energy: 0.5392556756171674
Energy: 0.5684903122545406
Energy: 0.5658476070495786
Energy: 0.538711014017229
Energy: 0.5379571840598742
Energy: 0.5677131119236699
Energy: 0.5385864495190383
Energy: 0.5533555303294201
Energy: 0.563506618311825
Energy: 0.5628358918069281
Energy: 0.5472041090025179
Energy: 0.5416501747797089
Energy: 0.5151867913542444
Energy: 0.5751884529389099
Energy: 0.5419901448194919
Energy: 0.5409866561077207
Energy: 0.5510409688645185
Energy: 0.5164277355443034
Energy: 0.539946981347257
Energy: 0.543625154823263
Energy: 0.5344242772060099
Energy: 0.5330267838122448
Energy: 0.53303028804431
Energy: 0.5382121412741052
Energy: 0.534117261922679
Energy: 0.5733724527399089
Energy: 0.5525333618407069
Energy: 0.5784554066818576
Energy: 0.5683293551399277
Energy: 0.554489639111041
Energy: 0.5777852605137612
Energy: 0.643124107838688
Energy: 0.5379079186052199
Energy: 0.5161614724459533
Energy: 0.5394073468444042
Energy: 0.538522267729109
Energy: 0.5140510764072194
Energy: 0.563717066257831
Energy: 0.5163070120084805
Energy: 0.5160993582107835
Energy: 0.5395798226635093
Energy: 0.5170362469545194
Energy: 0.5150338727037155
Energy: 0.5763003575898126
Energy: 0.5768777886630683
Energy: 0.5363175112838284
Energy: 0.5751050750900584
Energy: 0.541345823210285
Energy: 0.5375628517254409
Energy: 0.5127654612568208
Energy: 0.5147268003458326
Energy: 0.5167214056487758
Energy: 0.5132011783702407
Energy: 0.513721395332138
Energy: 0.5163381614805176
Energy: 0.5247865449805533
Energy: 0.5111345577781872
Energy: 0.5179280398881253
Energy: 0.5187011848826989
Energy: 0.5108494803664415
Energy: 0.513324940669214
Energy: 0.5217819384003892
Energy: 0.514375039395061
Energy: 0.5151881357927595
Energy: 0.5150348020812636
Energy: 0.5101968344379765
Energy: 0.5136933449112526
Energy: 0.5130146761479923
Energy: 0.515812493315187
Energy: 0.5143450837989009
Energy: 0.5132992383417626
Energy: 0.5139019998921802
Energy: 0.5148385438030258
Energy: 0.5612946593815724
Energy: 0.5385780877318677
Energy: 0.5395932033577946
Energy: 0.5375372624961544
Energy: 0.5163360913437075
Energy: 0.5145310327611577
Energy: 0.5579348270387666
Energy: 0.5321405549954085
Energy: 0.5326490685489533
Energy: 0.5456571084562689
Energy: 0.5324281876576815
Energy: 0.5320469589427129
Energy: 0.5798279824022989
Energy: 0.547343036638765
Energy: 0.5395050149426421
Energy: 0.5369876167790459
Energy: 0.5392207076735225
Energy: 0.5392033682150322
Energy: 0.5683315202903059
Energy: 0.5348698342942857
Energy: 0.5387258062156085
Energy: 0.5689244130966575
Energy: 0.5358016157761472
Energy: 0.5295258580269321
Energy: 0.5488598958737975
Energy: 0.5346656697487494
Energy: 0.5389605105546219
Energy: 0.5329088031574748
Energy: 0.5358753526122977
Energy: 0.5295056271965157
Energy: 0.6406794852731666
Energy: 0.5649129113486974
Energy: 0.5414407749984771
Energy: 0.5407797154665506
Energy: 0.5646471117618084
Energy: 0.5395747651680699
Energy: 0.5488922878216228
Energy: 0.5722003005360923
Energy: 0.5727629354590947
Energy: 0.552927571861771
Energy: 0.5673962196559359
Energy: 0.5389078490770817
Energy: 0.5829131176958608
Energy: 0.5721495193155541
Energy: 0.5735972219403934
Energy: 0.5653582425515535
Energy: 0.5721598035452478
Energy: 0.5595125871384712
Energy: 0.5456622899406898
Energy: 0.5382800598257808
Energy: 0.5682423615608708
Energy: 0.5281751245124736
Energy: 0.5393019521025698
Energy: 0.5679889071063015
Energy: 0.589334615215614
Energy: 0.5434436369893266
Energy: 0.5413084394056846
Energy: 0.5339487663305279
Energy: 0.5474763459161461
Energy: 0.540468434572679

minimum gb energy = 0.5101968344379765 eV
minimum distance =  2.60116971208727 Angstroms
sigma value = 19


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

Energy: 0.8263573930519618
Energy: 0.5138662530217957
Energy: 0.5237357491000044
Energy: 0.5361292681776313
Energy: 0.5331346930034603
Energy: 0.5235777928962987
Energy: 0.5439919852635806
Energy: 0.5294371161691008
Energy: 0.5269338662731256
Energy: 0.5311276081525927
Energy: 0.5298367883954879
Energy: 0.5295153045819452
Energy: 0.5483203996769139
Energy: 0.5309140638565151
Energy: 0.531340943804836
Energy: 0.534295550300588
Energy: 0.5299995225039855
Energy: 0.52849472282293
Energy: 0.5471973849066271
Energy: 0.5309600571462414
Energy: 0.5304674908112286
Energy: 0.5297358850250188
Energy: 0.5265755202325907
Energy: 0.5301138617380311
Energy: 0.5399321496881722
Energy: 0.5319774869898932
Energy: 0.5306428482936928
Energy: 0.5409096899951615
Energy: 0.5345997699691921
Energy: 0.5315687468636642
Energy: 0.5559452377946041
Energy: 0.554265902556818
Energy: 0.5554240188250203
Energy: 0.5291615491660305
Energy: 0.529971661827644
Energy: 0.5300677574931442
Energy: 0.5402651556733965
Energy: 0.5333518349553763
Energy: 0.5318069663364706
Energy: 0.5384161901409078
Energy: 0.5351437557420182
Energy: 0.5307459046017831
Energy: 0.5462095895598785
Energy: 0.5343962422185918
Energy: 0.5290148756652944
Energy: 0.529455118962818
Energy: 0.5291724572994206
Energy: 0.5272446897670893
Energy: 0.5326130486370911
Energy: 0.5270504789352767
Energy: 0.529929153410706
Energy: 0.5293674345791667
Energy: 0.5316146562661497
Energy: 0.5308390145194968
Energy: 0.5325897798117255
Energy: 0.5377851120433856
Energy: 0.5340748913239988
Energy: 0.5300108789307737
Energy: 0.5387606624388926
Energy: 0.5294590782578109
Energy: 0.5471343956581168
Energy: 0.5253723698942422
Energy: 0.5257494775551308
Energy: 0.5341002534054419
Energy: 0.5262855561955245
Energy: 0.5162063086609496
Energy: 0.5435070613006238
Energy: 0.5385327543071757
Energy: 0.5185187547781811
Energy: 0.5149951135340692
Energy: 0.5399031788333134
Energy: 0.5186674604094318
Energy: 0.5522269002606154
Energy: 0.5313843025114495
Energy: 0.5320144670582156
Energy: 0.5412089614713061
Energy: 0.5338090863612408
Energy: 0.5309753888145385
Energy: 0.5692434867295946
Energy: 0.5362350678881695
Energy: 0.5349359961799045
Energy: 0.5234283280394562
Energy: 0.5374524942221531
Energy: 0.5300932494010279
Energy: 0.5432576769613401
Energy: 0.5253911121554301
Energy: 0.5254092966159276
Energy: 0.5240559297089947
Energy: 0.5253621025198083
Energy: 0.5178136576481766
Energy: 0.543400599017339
Energy: 0.5246447210726481
Energy: 0.5242349326696272
Energy: 0.5248540635115883
Energy: 0.5250282498601803
Energy: 0.5237471041162425
Energy: 0.540102398597674
Energy: 0.5324594880115086
Energy: 0.5345868031358754
Energy: 0.5237803274886013
Energy: 0.5396093473231156
Energy: 0.5344847762777623
Energy: 0.5577303270106396
Energy: 0.5186354893128445
Energy: 0.518955887377389
Energy: 0.5229267107028532
Energy: 0.5237983366641751
Energy: 0.5241435105551046
Energy: 0.5522592784340808
Energy: 0.5255505325666159
Energy: 0.520720852952441
Energy: 0.5353346561291641
Energy: 0.525576613341394
Energy: 0.5212672730068955
Energy: 0.5452220733160865
Energy: 0.5247019182484342
Energy: 0.5257254411928302
Energy: 0.5314435606643219
Energy: 0.5238441707276686
Energy: 0.5279251399377171
Energy: 0.5262369532440483
Energy: 0.5185831248373233
Energy: 0.5237617391463871
Energy: 0.5263206555526667
Energy: 0.5316318314569027
Energy: 0.5244671588934129
Energy: 0.5234505511727954
Energy: 0.5118243635519141
Energy: 0.512082211259528
Energy: 0.532695195969657
Energy: 0.5148196245606658
Energy: 0.5198818663610374
Energy: 0.5422965451229903
Energy: 0.5334477261233017
Energy: 0.5326763016624215
Energy: 0.5422370377935428
Energy: 0.5330709788011253
Energy: 0.5297323894607232
Energy: 0.5556182990013565
Energy: 0.5223136864308117
Energy: 0.5241832434744456
Energy: 0.5388955212770711
Energy: 0.5214056825113924
Energy: 0.5266799858405138
Energy: 0.5606662319704508
Energy: 0.5144156677853371
Energy: 0.5114265539953344
Energy: 0.5249636746607631
Energy: 0.51691139795019
Energy: 0.525154404889327
Energy: 0.5419456695937386
Energy: 0.5254599758227527
Energy: 0.5258766080527241
Energy: 0.531445800307029
Energy: 0.528163622878902
Energy: 0.5294545251899953
Energy: 0.5497701010405475
Energy: 0.5311589392126844
Energy: 0.5304233877631463
Energy: 0.5383701517761506
Energy: 0.5324794177878631
Energy: 0.5298145291256359
Energy: 0.5481952694723513
Energy: 0.531333129913501
Energy: 0.5310610639173821
Energy: 0.5262305197595081
Energy: 0.532187264894217
Energy: 0.5300508854049922
Energy: 0.5636864322074375
Energy: 0.5580444694961556
Energy: 0.5606322282027079
Energy: 0.5195509359225994
Energy: 0.5584709058176821
Energy: 0.523552961316438

minimum gb energy = 0.5114265539953344 eV
minimum distance =  2.61466703413401 Angstroms
sigma value = 101


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

Energy: 0.7589255074857928
Energy: 0.5184273415718614
Energy: 0.5195882880750029
Energy: 0.4966381177699761
Energy: 0.5109726709465235
Energy: 0.49862649612204113
Energy: 0.5698360635982516
Energy: 0.5087154180168569
Energy: 0.5120672494993554
Energy: 0.5103117095215184
Energy: 0.5091703279336169
Energy: 0.5111730057131897
Energy: 0.5445172079217422
Energy: 0.5108621128976235
Energy: 0.5146768109961201
Energy: 0.5092885021819755
Energy: 0.5103249643354872
Energy: 0.5094848817820313
Energy: 0.5381966522104988
Energy: 0.5106064488794307
Energy: 0.5108613126366763
Energy: 0.5097745033242373
Energy: 0.518843428602517
Energy: 0.5109765247998959
Energy: 0.5144148399691574
Energy: 0.5096587206146792
Energy: 0.5108936075542164
Energy: 0.5156885483903312
Energy: 0.5094891577951689
Energy: 0.5188235049290092
Energy: 0.527996813672731
Energy: 0.5300121552428566
Energy: 0.5183298321757978
Energy: 0.5240347182669239
Energy: 0.5316921492054957
Energy: 0.5288506451916491
Energy: 0.5360127098825654
Energy: 0.5089092365474096
Energy: 0.5133827607995599
Energy: 0.527161457083801
Energy: 0.5059324649122081
Energy: 0.5083304304380298
Energy: 0.531410356247274
Energy: 0.5110201637583901
Energy: 0.511623179355283
Energy: 0.5222586706516755
Energy: 0.5248245143571638
Energy: 0.5123999772030783
Energy: 0.5071724725224143
Energy: 0.5083401276481179
Energy: 0.5148969308701514
Energy: 0.5077651794240935
Energy: 0.5079550786113617
Energy: 0.511821279309173
Energy: 0.5060297613019481
Energy: 0.5127703396796278
Energy: 0.5129326245617323
Energy: 0.5076241466190798
Energy: 0.5136316571900446
Energy: 0.5134653910725933
Energy: 0.6075526520270806
Energy: 0.5123563809105302
Energy: 0.49365979015529704
Energy: 0.5304299179595879
Energy: 0.49710471971208847
Energy: 0.49384297317335135
Energy: 0.5456131647804743
Energy: 0.5114972060535912
Energy: 0.5125142671424293
Energy: 0.5111709964125596
Energy: 0.5094093850548915
Energy: 0.5133814963820216
Energy: 0.51953315496478
Energy: 0.5084906746792673
Energy: 0.5092211340201436
Energy: 0.5068174452581758
Energy: 0.5086554904531604
Energy: 0.5097979162150932
Energy: 0.5189625943394993
Energy: 0.5106245306378795
Energy: 0.5158394682005539
Energy: 0.5059528293797625
Energy: 0.5097850953546387
Energy: 0.5158606905994793
Energy: 0.5417383765617065
Energy: 0.5097864003420917
Energy: 0.5119786101513072
Energy: 0.5114592698554025
Energy: 0.5080853095545976
Energy: 0.5139069243111085
Energy: 0.5424591966061402
Energy: 0.5143990682982587
Energy: 0.5110690193458588
Energy: 0.5104280526857717
Energy: 0.5104421447754937
Energy: 0.51124656022503
Energy: 0.5208561927978846
Energy: 0.5548496256817163
Energy: 0.5207935219962456
Energy: 0.4931981748028106
Energy: 0.5247452001088444
Energy: 0.5100490469553015
Energy: 0.5696911444718246
Energy: 0.5089871430774444
Energy: 0.5091049104429848
Energy: 0.5201204684008582
Energy: 0.5090982388832852
Energy: 0.5183778915959487
Energy: 0.543004917092224
Energy: 0.5120300476678767
Energy: 0.5139999803766292
Energy: 0.5079475373669435
Energy: 0.5107382386694788
Energy: 0.5160641756251608
Energy: 0.5371880125331568
Energy: 0.5095896376014019
Energy: 0.5152274598232767
Energy: 0.5091101472166227
Energy: 0.5079637586878425
Energy: 0.5166324486221993
Energy: 0.5159432068523334
Energy: 0.5088322601390989
Energy: 0.5094940075853426
Energy: 0.5177529418852447
Energy: 0.5091983940057087
Energy: 0.5166634474507098
Energy: 0.532570719246433
Energy: 0.5120364103729015
Energy: 0.5120725299821318
Energy: 0.5102048637047525
Energy: 0.5093792711782457
Energy: 0.5113654150069955
Energy: 0.5286497122502516
Energy: 0.5083677092250276
Energy: 0.5066689385597586
Energy: 0.5231084549853172
Energy: 0.5078504344017607
Energy: 0.5080788658942955
Energy: 0.532193831421991
Energy: 0.508994175749105
Energy: 0.5107096389709782
Energy: 0.522980084345726
Energy: 0.5075278528264705
Energy: 0.5095084219889819
Energy: 0.5117653142440687
Energy: 0.5097590744851023
Energy: 0.5163481096992991
Energy: 0.5107727020362807
Energy: 0.5080952517442563
Energy: 0.510916602241223
Energy: 0.5069359848397474
Energy: 0.5134255803025964
Energy: 0.5131466911958645
Energy: 0.5083395214387453
Energy: 0.5134987998871977
Energy: 0.5121620230833297
Energy: 0.5378123235260652
Energy: 0.502085425804421
Energy: 0.5041970085348503
Energy: 0.5099149941719937
Energy: 0.49529687190809174
Energy: 0.5104595165776283
Energy: 0.5431845579044333
Energy: 0.49867596106465933
Energy: 0.5004948203322752
Energy: 0.5116745057738497
Energy: 0.4953296853931074
Energy: 0.5165558530781146
Energy: 0.5188948004921957
Energy: 0.5097389888148818
Energy: 0.5104520410170498
Energy: 0.5059143949691591
Energy: 0.5119428942771077
Energy: 0.5148701156790513
Energy: 0.5201091569124983
Energy: 0.5139943785070459
Energy: 0.5156869635483754
Energy: 0.5062432333677622
Energy: 0.5016012144606035
Energy: 0.5198040030635862
Energy: 0.5435600081287163
Energy: 0.5126701683905521
Energy: 0.5156814941584628
Energy: 0.510920240020727
Energy: 0.5074849408921496
Energy: 0.5167410509829485
Energy: 0.5422085192255913
Energy: 0.5089499851196488
Energy: 0.5108364157112321
Energy: 0.5082908137472893
Energy: 0.5126280573020543
Energy: 0.5113249627373886
Energy: 0.5219967493110071
Energy: 0.5110598483498389
Energy: 0.5153164048679671
Energy: 0.4934352422341794
Energy: 0.5069091812251556
Energy: 0.5156773414693552

minimum gb energy = 0.4931981748028106 eV
minimum distance =  2.60197940299394 Angstroms
sigma value = 33


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

Energy: 0.011785405049305303
Energy: 0.012493036655776522
Energy: 0.012202503703818148
Energy: 0.012948557781685717
Energy: 0.4542392579964597
Energy: 0.012101996013674999
Energy: 0.012235312753941728
Energy: 0.0677214706977844
Energy: 0.06681315119133764
Energy: 0.06857439547339791
Energy: 0.06810038250750529
Energy: 0.06666241271833574
Energy: 0.6398988450310836
Energy: 0.4543237665872068
Energy: 0.4530638188974337
Energy: 0.455051640608376
Energy: 0.4548986474747096
Energy: 0.4530197391475786
Energy: 0.25149261235314013
Energy: 0.06772147069605691
Energy: 0.06681315119098429
Energy: 0.06857439547200413
Energy: 0.06810038250646487
Energy: 0.06666241271833574

minimum gb energy = 0.011785405049305303 eV
minimum distance =  2.82529228164862 Angstroms
sigma value = 1