Model name: model_name=EAM_Dynamo_LiuAdams_1998_AlMg__MO_019873715786_000
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=4.03203821182251
cohesive_energy=3.36023026856906
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0226678915933e-19, 2.6751383040234594e-19, 3.0404185548091196e-19, 3.39920999022708e-19, 3.6789820740561597e-19, 3.9178666101855596e-19, 4.13462508699942e-19, 4.32207975317742e-19, 4.47939747686988e-19, 4.6185144740001e-19, 4.7418019659864e-19, 4.84531859830914e-19, 4.930842787032059e-19, 5.0058406752696e-19, 5.077714319070839e-19, 5.14548639068904e-19, 5.206913842836599e-19, 5.259192866404019e-19, 5.300657197691939e-19, 5.33223609914808e-19, 5.355499703873759e-19, 5.37131318725134e-19, 5.380365485233439e-19, 5.38326542494098e-19, 5.38004504990664e-19, 5.3691342270291e-19, 5.34853023551586e-19, 5.31680713816266e-19, 5.27285943309204e-19, 5.215469466062159e-19, 5.14390023582138e-19, 5.057494849949759e-19, 4.951687105040399e-19, 4.81957161980076e-19, 4.65251266217358e-19, 4.43793314558196e-19, 4.1596190424898195e-19, 3.79879284274668e-19, 3.33654886207134e-19, 2.75499078746202e-19, 2.0352449781701998e-19, 1.130766600801546e-19, -2.6537492459595595e-21, -1.495804922915472e-19]
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: 0.010416874380987026
Energy: 0.011434289656654944
Energy: 0.010863638072745055
Energy: 0.012007572286986302
Energy: 0.23365167917786622
Energy: 0.01076771658405808
Energy: 0.0114342896573832
Energy: 0.05283819595745929
Energy: 0.052986494435955454
Energy: 0.05287033438858049
Energy: 0.052583762510875424
Energy: 0.053040351343391405
Energy: 0.010863638072997145
Energy: 0.05298649443545128
Energy: 0.05288672684330714
Energy: 0.011341356075542467
Energy: 0.05273730656508736
Energy: 0.05311154897160938
Energy: 0.012007572286986302
Energy: 0.05287033438858049
Energy: 0.011341356075290378
Energy: 0.010633779920660887
Energy: 0.05296461254716927
Energy: 0.010808853106690875
Energy: 0.23365167917761412
Energy: 0.05258376251308822
Energy: 0.05273730656508736
Energy: 0.05296461254716927
Energy: 0.05259761307227978
Energy: 0.052910068900553615
Energy: 0.01076771658380599
Energy: 0.053040351343391405
Energy: 0.053111548971833455
Energy: 0.010808853106186697
Energy: 0.052910068900553615
Energy: 0.010939123944141035

minimum gb energy = 0.010416874380987026 eV
minimum distance =  2.84398417363518 Angstroms
sigma value = 1


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

Energy: 0.6665984624383714
Energy: 0.5198268852938547
Energy: 0.4661264873063522
Energy: 0.5132216977784441
Energy: 0.49959297523037494
Energy: 0.46706105381857665
Energy: 0.6837918087925364
Energy: 0.5173686447139678
Energy: 0.5175735966890314
Energy: 0.5082761864735331
Energy: 0.5174814570048055
Energy: 0.4990392743553091
Energy: 0.7159394423755371
Energy: 0.4843260434639209
Energy: 0.4559880449377352
Energy: 0.4764720166291399
Energy: 0.5189948163203736
Energy: 0.45555614093167457
Energy: 0.7160533720608462
Energy: 0.4551872153104135
Energy: 0.4938647402709133
Energy: 0.4615096158372129
Energy: 0.4551712041024951
Energy: 0.4519400218480438
Energy: 0.7422544809195089
Energy: 0.5079381284609434
Energy: 0.5042040098220014
Energy: 0.5037802942025175
Energy: 0.5080684380303013
Energy: 0.5036849974252069
Energy: 0.628725932784386
Energy: 0.48868563556225497
Energy: 0.48880696250588496
Energy: 0.48619280373570606
Energy: 0.5039063069527083
Energy: 0.4872820831178533
Energy: 0.6261349557257365
Energy: 0.4878724096159442
Energy: 0.48909508128167534
Energy: 0.4858854253180795
Energy: 0.5258350292979236
Energy: 0.49760505574837904
Energy: 0.6088324946121744
Energy: 0.5108931627122598
Energy: 0.5134822474192348
Energy: 0.5027805288116215
Energy: 0.5110482869291006
Energy: 0.4959949205413165
Energy: 0.5290434800023827
Energy: 0.48636149076606033
Energy: 0.48733036740304314
Energy: 0.5055945939739283
Energy: 0.48619126979930344
Energy: 0.4886664464156642
Energy: 0.5267509887808421
Energy: 0.5079315073195781
Energy: 0.504193716216445
Energy: 0.504418308298199
Energy: 0.5036146556101317
Energy: 0.5047609653522798
Energy: 0.5692210128866823
Energy: 0.4684867456619124
Energy: 0.48600651153080765
Energy: 0.5890912319511095
Energy: 0.4687682009664667
Energy: 0.4688031678115851
Energy: 0.5207910059443794
Energy: 0.45281060500501197
Energy: 0.45537222585716247
Energy: 0.5205140246526387
Energy: 0.4986643268799677
Energy: 0.45534726958843696
Energy: 0.5175911831399481
Energy: 0.48516301963612496
Energy: 0.4824492510996849
Energy: 0.5176700130649688
Energy: 0.4893806979583933
Energy: 0.49891275763879
Energy: 0.5179753430764201
Energy: 0.4715838854565378
Energy: 0.47159448313014196
Energy: 0.5123819842430748
Energy: 0.4747795066935826
Energy: 0.4915539795188097
Energy: 0.5181018652329933
Energy: 0.5026417509152707
Energy: 0.49633497472053
Energy: 0.5134543131760939
Energy: 0.5025934262392996
Energy: 0.5124708364806679
Energy: 0.522758501258866
Energy: 0.4520395407311998
Energy: 0.45237064378539255
Energy: 0.5140608062748221
Energy: 0.45227441926137607
Energy: 0.4524654187107251
Energy: 0.5993061262396993
Energy: 0.49498232953051463
Energy: 0.4950310533455397
Energy: 0.4777745170650952
Energy: 0.49530424803058803
Energy: 0.4522065703874477
Energy: 0.5635602894622732
Energy: 0.5023439598033799
Energy: 0.5111888218183589
Energy: 0.5117963571550449
Energy: 0.5039126487025724
Energy: 0.5112693181980157
Energy: 0.5629939930674664
Energy: 0.5042866576378734
Energy: 0.5043135307940951
Energy: 0.5037233038548411
Energy: 0.5043266859696802
Energy: 0.5033773443028058
Energy: 0.7240521543158374
Energy: 0.5192973368151672
Energy: 0.5118158627916413
Energy: 0.5208206019638145
Energy: 0.5200356882768261
Energy: 0.5111892742214255
Energy: 0.6632796897228618
Energy: 0.45219950924983093
Energy: 0.4866573765093964
Energy: 0.4687211392648466
Energy: 0.47103903754952514
Energy: 0.4681939725290481
Energy: 0.6655481033865689
Energy: 0.4900949891720887
Energy: 0.4527898813943419
Energy: 0.4678695166398858
Energy: 0.513728052618553
Energy: 0.4525954763229979
Energy: 0.6838854611120282
Energy: 0.5110670731365708
Energy: 0.5119489836263462
Energy: 0.5084089950598912
Energy: 0.5124964415892187
Energy: 0.5119448520652815

minimum gb energy = 0.4519400218480438 eV
minimum distance =  2.60157205479752 Angstroms
sigma value = 33


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

Energy: 0.8726830471924362
Energy: 0.49462377436801047
Energy: 0.47992295561588605
Energy: 0.48363042569447356
Energy: 0.46716337023352633
Energy: 0.5195954244401881
Energy: 0.7208472957885736
Energy: 0.5300406824971194
Energy: 0.45476600016731195
Energy: 0.5080271591246045
Energy: 0.5301198894032202
Energy: 0.45990789799498427
Energy: 0.693927692023314
Energy: 0.5335556125627128
Energy: 0.5243705694978821
Energy: 0.4486574414200678
Energy: 0.543439271962774
Energy: 0.5031168789307346
Energy: 0.6932913141821888
Energy: 0.533074456028578
Energy: 0.5339321737189622
Energy: 0.46348617659671704
Energy: 0.5563426892682232
Energy: 0.4488311318384966
Energy: 0.6540414476295346
Energy: 0.548498353393503
Energy: 0.526050836333501
Energy: 0.5712792339134636
Energy: 0.5269045682054779
Energy: 0.5460461069428642
Energy: 0.6692309018398528
Energy: 0.4978467778375947
Energy: 0.4913308318941698
Energy: 0.4982478086299508
Energy: 0.4981380205737323
Energy: 0.49176386808169636
Energy: 0.6704120347401147
Energy: 0.49915696167760437
Energy: 0.5079301764591058
Energy: 0.5067498866184167
Energy: 0.5516862384790606
Energy: 0.5086292852566379
Energy: 0.6277008731457965
Energy: 0.49855470834132265
Energy: 0.49900711860843605
Energy: 0.5618164366812242
Energy: 0.4988455872591596
Energy: 0.49933780870588684
Energy: 0.569089645278987
Energy: 0.5082142708924342
Energy: 0.5195723358870565
Energy: 0.5503094954960396
Energy: 0.5069796594829162
Energy: 0.5300175175065722
Energy: 0.5642378434966324
Energy: 0.5222838252431328
Energy: 0.5313784947758433
Energy: 0.5440363984958106
Energy: 0.5334032694760827
Energy: 0.5283544854423485
Energy: 0.6310170711217495
Energy: 0.4311824304321566
Energy: 0.43111029333873935
Energy: 0.5195638437146949
Energy: 0.43135381183461685
Energy: 0.46297314452684807
Energy: 0.5377620127765063
Energy: 0.448433722668526
Energy: 0.45856960326445145
Energy: 0.5375436530200863
Energy: 0.4486684481576831
Energy: 0.45853016528740054
Energy: 0.5380914420314845
Energy: 0.519936408474207
Energy: 0.5310568740328528
Energy: 0.5380004270457202
Energy: 0.5162600979953892
Energy: 0.5367579094489976
Energy: 0.6372328087048492
Energy: 0.44914184773050203
Energy: 0.4488037362467254
Energy: 0.5921212762032197
Energy: 0.449043443691329
Energy: 0.47344127871801234
Energy: 0.5819562216041441
Energy: 0.5388391540742168
Energy: 0.5395874360996575
Energy: 0.5502196887026113
Energy: 0.614992728029043
Energy: 0.5422736133155287
Energy: 0.5748602175326184
Energy: 0.47695420672915717
Energy: 0.4785680105813899
Energy: 0.5414300854477816
Energy: 0.47693898345860014
Energy: 0.4775844946079407
Energy: 0.5709692633540728
Energy: 0.49593394358479687
Energy: 0.4971245636221366
Energy: 0.4931506899535558
Energy: 0.4966253646718403
Energy: 0.49720266503743443
Energy: 0.6025988580265155
Energy: 0.5493405377078564
Energy: 0.5395709442234482
Energy: 0.497701235809744
Energy: 0.5527902313010661
Energy: 0.5002541328632413
Energy: 0.6040686677222009
Energy: 0.5431815142584404
Energy: 0.5437212208940408
Energy: 0.508732080550797
Energy: 0.5433963908072135
Energy: 0.5321654918561268
Energy: 0.7850378545443839
Energy: 0.5453408032013864
Energy: 0.5244624225148321
Energy: 0.531146837765334
Energy: 0.5349811426174167
Energy: 0.5268263271269341
Energy: 0.7768576030610262
Energy: 0.4358503571400435
Energy: 0.43541588241690427
Energy: 0.43572313954298053
Energy: 0.4879144745611889
Energy: 0.43519746440477314
Energy: 0.7440548740551772
Energy: 0.46283569540332903
Energy: 0.45297181376496504
Energy: 0.45312020113460566
Energy: 0.5204501197829333
Energy: 0.4530659718211105
Energy: 0.5706646329932593
Energy: 0.5447286771895913
Energy: 0.5430778828448273
Energy: 0.5867326085940228
Energy: 0.5395848630430484
Energy: 0.5429908149400471
Energy: 0.6952766656889392
Energy: 0.5632610758612898
Energy: 0.5373241640811601
Energy: 0.44905967472328334
Energy: 0.5617440565617176
Energy: 0.4745123317359325
Energy: 0.5705579773200871
Energy: 0.5484350982874047
Energy: 0.5470349062871025
Energy: 0.6168712847140905
Energy: 0.5475659673340932
Energy: 0.546989641053932
Energy: 0.6857055261255062
Energy: 0.49448389094990625
Energy: 0.47531073813889324
Energy: 0.48470625985946264
Energy: 0.5458422397681932
Energy: 0.4751008125288693
Energy: 0.6791947701042227
Energy: 0.4755800939065289
Energy: 0.4856351096208012
Energy: 0.5018607021121991
Energy: 0.49451846314964215
Energy: 0.4852566395692944
Energy: 0.6290113781774846
Energy: 0.5201970208652771
Energy: 0.51062746959673
Energy: 0.5384006213290089
Energy: 0.49852381169785287
Energy: 0.5382136846368784
Energy: 0.5485626580323666
Energy: 0.4986034705303413
Energy: 0.5002280527061215
Energy: 0.5377686261474984
Energy: 0.4982227971627617
Energy: 0.5372649866337427
Energy: 0.5514562747722772
Energy: 0.5234607644962589
Energy: 0.5260493491773018
Energy: 0.5343684087565581
Energy: 0.5258329440946224
Energy: 0.527074426218986
Energy: 0.547353138914988
Energy: 0.43106460172287353
Energy: 0.4310631363350364
Energy: 0.46793681614582616
Energy: 0.43116263587864906
Energy: 0.4304913895218395
Energy: 0.5527153763421493
Energy: 0.430629297645219
Energy: 0.43064439502658636
Energy: 0.547904445516209
Energy: 0.4306180690181864
Energy: 0.4621502679550864
Energy: 0.5549673913233443
Energy: 0.5244140880643582
Energy: 0.5349655333282555
Energy: 0.5497439975724667
Energy: 0.5948603542732338
Energy: 0.5396087249097589
Energy: 0.5505006676245906
Energy: 0.4489374912540509
Energy: 0.47410360999490736
Energy: 0.5419266989425588
Energy: 0.44893806365693045
Energy: 0.4738852737018258
Energy: 0.5626732134029316
Energy: 0.5542797500583267
Energy: 0.555813581345933
Energy: 0.5529859307777271
Energy: 0.5424926685184944
Energy: 0.5532574857801443
Energy: 0.5620374174203948
Energy: 0.4865425172078767
Energy: 0.4874307121542216
Energy: 0.549159278265569
Energy: 0.4866375294694166
Energy: 0.48680607681164695
Energy: 0.5746725631211883
Energy: 0.5136898915153185
Energy: 0.4711324023460834
Energy: 0.466972244294032
Energy: 0.4714483254191247
Energy: 0.4932361587919296
Energy: 0.6014268034379298
Energy: 0.5520077660914758
Energy: 0.54387756903726
Energy: 0.5073138286156653
Energy: 0.5514562983898356
Energy: 0.5284943913021426
Energy: 0.6020335243811094
Energy: 0.5433166512375374
Energy: 0.5404714489156005
Energy: 0.5109377282731515
Energy: 0.5416109248801887
Energy: 0.4992214743577784
Energy: 0.6659866107026815
Energy: 0.5274740522762622
Energy: 0.5285014494383812
Energy: 0.5240358220262119
Energy: 0.5279090713670025
Energy: 0.5191192928768568
Energy: 0.7622163367654681
Energy: 0.46956204064565993
Energy: 0.4323935910476788
Energy: 0.42501650334370206
Energy: 0.4642856563973499
Energy: 0.4390000647492601

minimum gb energy = 0.42501650334370206 eV
minimum distance =  2.60797635730725 Angstroms
sigma value = 51


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

Energy: 0.6885019559986661
Energy: 0.5061242346770954
Energy: 0.5060545323543584
Energy: 0.4597907887863339
Energy: 0.48723823424121177
Energy: 0.4463058391408369
Energy: 0.5755275978358803
Energy: 0.5173755891620885
Energy: 0.5175993780600399
Energy: 0.5591191361404195
Energy: 0.5176540304655106
Energy: 0.48654752713242644
Energy: 0.6309889087176273
Energy: 0.5179812613857981
Energy: 0.4521517479121287
Energy: 0.4590642938995248
Energy: 0.5184715299985483
Energy: 0.4524463591400535
Energy: 0.6308440002160007
Energy: 0.4376804236073469
Energy: 0.437826427289035
Energy: 0.47535647549031046
Energy: 0.4373090782379569
Energy: 0.45434341779757303
Energy: 0.6617625535632082
Energy: 0.4969771317456792
Energy: 0.4958302175820643
Energy: 0.4763532634580752
Energy: 0.4971322260593866
Energy: 0.49508287759939057
Energy: 0.5501875311060418
Energy: 0.49635807264005494
Energy: 0.4723866804102516
Energy: 0.4968629299344565
Energy: 0.4967858286383822
Energy: 0.47220591968137965
Energy: 0.550337838741787
Energy: 0.48293999086570066
Energy: 0.505555275917805
Energy: 0.4975201457818567
Energy: 0.475638635261579
Energy: 0.5047352327948399
Energy: 0.5752507862105357
Energy: 0.4163810793335856
Energy: 0.41631047109670866
Energy: 0.46147583008126986
Energy: 0.41665081468704607
Energy: 0.41610347569690853
Energy: 0.5229664914794883
Energy: 0.41639448139926843
Energy: 0.41645174740546054
Energy: 0.517964777837962
Energy: 0.4162580031385159
Energy: 0.45197257886889836
Energy: 0.5189976407210721
Energy: 0.425180456961527
Energy: 0.48804899197385665
Energy: 0.5189375981014961
Energy: 0.5181897984875187
Energy: 0.519299614878576
Energy: 0.5178075208906039
Energy: 0.4598119865191988
Energy: 0.43630079405625183
Energy: 0.5178515561914684
Energy: 0.45942503144833585
Energy: 0.5306841216955667
Energy: 0.51884619601422
Energy: 0.4255098169776925
Energy: 0.4872783315203791
Energy: 0.5172440302971798
Energy: 0.4348896307943248
Energy: 0.5159897026628641
Energy: 0.5181831589263658
Energy: 0.44195309334815097
Energy: 0.43958590740073045
Energy: 0.5152801381227771
Energy: 0.44226763945132036
Energy: 0.4829575683282193
Energy: 0.5219183135143415
Energy: 0.4630794586885073
Energy: 0.4392200388269069
Energy: 0.5197703802171497
Energy: 0.46294162123641547
Energy: 0.4815650714802867
Energy: 0.5748012245451533
Energy: 0.4577029221872724
Energy: 0.45905414155567814
Energy: 0.47746250713069044
Energy: 0.4847202347975917
Energy: 0.4588343453265874
Energy: 0.5756250405316555
Energy: 0.48263433335973344
Energy: 0.4571843145134256
Energy: 0.46045620210585975
Energy: 0.48273170567061346
Energy: 0.47830135396184165
Energy: 0.6616998454862846
Energy: 0.5179363061149272
Energy: 0.5181190315153429
Energy: 0.48728291407320673
Energy: 0.5170031327598196
Energy: 0.5167939156731427
Energy: 0.6879474191843467
Energy: 0.48698864560032556
Energy: 0.4549231152823608
Energy: 0.43986202426291304
Energy: 0.48695543647083434
Energy: 0.4551218738926418

minimum gb energy = 0.41610347569690853 eV
minimum distance =  2.66701402268149 Angstroms
sigma value = 19


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

Energy: 0.5721005141166782
Energy: 0.4153653954372466
Energy: 0.41497650577394635
Energy: 0.5441918948148912
Energy: 0.4695504033905694
Energy: 0.41503866355448066
Energy: 0.5711979178406412
Energy: 0.46924454475242694
Energy: 0.46936475728742977
Energy: 0.40549020800109165
Energy: 0.4692079505255019
Energy: 0.469640595477086
Energy: 0.6259264873343472
Energy: 0.46944098239839016
Energy: 0.4694071474006019
Energy: 0.40526530238950687
Energy: 0.46935574309776246
Energy: 0.46943410181998313
Energy: 0.5169427421006482
Energy: 0.469741695192353
Energy: 0.4697002221647595
Energy: 0.5069075350512856
Energy: 0.46976101480429316
Energy: 0.4696953894856048
Energy: 0.6262927089613972
Energy: 0.48569003349364964
Energy: 0.48633631031469965
Energy: 0.45501691956027895
Energy: 0.45494384858586884
Energy: 0.48629247954095006
Energy: 0.5173137031892201
Energy: 0.4583930683703681
Energy: 0.45461314999702046
Energy: 0.45571837595638115
Energy: 0.4578752204009434
Energy: 0.4541835587929622
Energy: 0.5165504476457489
Energy: 0.4548190666617846
Energy: 0.4549906231786099
Energy: 0.4554984673209711
Energy: 0.4151403410222569
Energy: 0.4549092192507398
Energy: 0.532353570414205
Energy: 0.3900210362554091
Energy: 0.3900734414307522
Energy: 0.44199475375102065
Energy: 0.3903591335662225
Energy: 0.3899931876374374
Energy: 0.469197305208209
Energy: 0.3901803524512983
Energy: 0.3902439600312536
Energy: 0.46920052228121156
Energy: 0.39048811472567674
Energy: 0.38991357302565877
Energy: 0.46976381467134426
Energy: 0.4421473640020745
Energy: 0.46942554053681396
Energy: 0.4693803279190325
Energy: 0.4049444113746017
Energy: 0.4693963457829254
Energy: 0.46971645065864537
Energy: 0.5061760001374498
Energy: 0.5051268531769099
Energy: 0.46953685870911593
Energy: 0.5046395058661878
Energy: 0.44245016266039217
Energy: 0.5165180691704332
Energy: 0.4559810751448143
Energy: 0.48551129674064547
Energy: 0.4551950537502555
Energy: 0.4053028548031426
Energy: 0.4695544847941972
Energy: 0.4582053654785408
Energy: 0.4549661226009063
Energy: 0.4150320698388949
Energy: 0.4595189662776497
Energy: 0.4551335977211976
Energy: 0.45555041609244934
Energy: 0.5165811167005494
Energy: 0.4552860930295455
Energy: 0.45506424487245817
Energy: 0.4551275438459106
Energy: 0.4557662394176599
Energy: 0.455323797878759
Energy: 0.5711846612006565
Energy: 0.4420127516782521
Energy: 0.44207064466581475
Energy: 0.39042489321109325
Energy: 0.4558348506859312
Energy: 0.3901827258881684
Energy: 0.5719200714414527
Energy: 0.4699057692765962
Energy: 0.39001731197141887
Energy: 0.3905852379990504
Energy: 0.4694177323181547
Energy: 0.39001477785344374
Energy: 0.6248238195605806
Energy: 0.4693835638496556
Energy: 0.46929830687441
Energy: 0.4057269359116231
Energy: 0.469941628952868
Energy: 0.4694954983516085
Energy: 0.516915184186521
Energy: 0.4697533153866233
Energy: 0.469753605955791
Energy: 0.4522063482479169
Energy: 0.46965068611955263
Energy: 0.4696788665439455
Energy: 0.5155996955552419
Energy: 0.4698014187270721
Energy: 0.46960866366840115
Energy: 0.4528447409675177
Energy: 0.4697393284296964
Energy: 0.4695825045877461
Energy: 0.5169876132736364
Energy: 0.45839010756665843
Energy: 0.48598841596137254
Energy: 0.4550524314188524
Energy: 0.4576411676495137
Energy: 0.48579390636587455
Energy: 0.5159018284354976
Energy: 0.4556394581335697
Energy: 0.4551960868335289
Energy: 0.4555644726524521
Energy: 0.45528824888768077
Energy: 0.4551042951701201
Energy: 0.516283285969304
Energy: 0.4049560992056169
Energy: 0.4554974938631441
Energy: 0.4550121220501229
Energy: 0.4049070126430465
Energy: 0.45488598233826266
Energy: 0.5322043874009881
Energy: 0.3900507328964608
Energy: 0.3902234548924411
Energy: 0.5327210389806589
Energy: 0.3900112529634119
Energy: 0.41499339285746845
Energy: 0.46931874685678315
Energy: 0.4052685362599178
Energy: 0.4422602658163428
Energy: 0.46926154886683313
Energy: 0.3901342417463807
Energy: 0.46986106423299395
Energy: 0.4694648033932655
Energy: 0.4697167698193473
Energy: 0.4695004340527528
Energy: 0.46937211757251446
Energy: 0.4052545113781881
Energy: 0.46942702619940274
Energy: 0.5319991496689991
Energy: 0.45233378618474457
Energy: 0.45305712706443224
Energy: 0.44239854632311465
Energy: 0.5061333767761538
Energy: 0.46961721636130865
Energy: 0.5167364267008591
Energy: 0.45535843810568444
Energy: 0.4853428827876657
Energy: 0.455065721269138
Energy: 0.4549486307722756
Energy: 0.4864961882299139
Energy: 0.4577087507955975
Energy: 0.45485785350570085
Energy: 0.4543458979627839
Energy: 0.457731014353616
Energy: 0.45536364871040225
Energy: 0.45441299695035703
Energy: 0.5168865775455626
Energy: 0.4547800437850471
Energy: 0.4549573928135487
Energy: 0.4709178176901357
Energy: 0.4554434596678025
Energy: 0.45461927145928727
Energy: 0.5731252763231602
Energy: 0.44239403531058336
Energy: 0.3901441757186096
Energy: 0.3903653662614207
Energy: 0.4419998177162592
Energy: 0.3901615210338774

minimum gb energy = 0.38991357302565877 eV
minimum distance =  2.70641327176779 Angstroms
sigma value = 27


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

Energy: 0.5116806532235785
Energy: 0.5307442809183941
Energy: 0.5729739436144539
Energy: 0.4837975173445991
Energy: 0.4547607984443898
Energy: 0.5736966714728041
Energy: 0.7543923754464065
Energy: 0.45490944613882395
Energy: 0.4550218839374954
Energy: 0.40445794110123184
Energy: 0.4552242118412529
Energy: 0.4551313226599476
Energy: 0.6442581036574254
Energy: 0.4559116336204258
Energy: 0.4553965038073188
Energy: 0.4138919444875496
Energy: 0.4565500731345867
Energy: 0.45520296771700824
Energy: 0.603273334016363
Energy: 0.4170514655011703
Energy: 0.4175314723194452
Energy: 0.39910810014084985
Energy: 0.41684714178121995
Energy: 0.4169788407763811
Energy: 0.5276196150266639
Energy: 0.344414390651943
Energy: 0.40010690514062697
Energy: 0.4173050021871088
Energy: 0.3442930453165211
Energy: 0.40209128471751754
Energy: 0.45574835652878243
Energy: 0.3441727001424342
Energy: 0.34473165915541293
Energy: 0.455924261452283
Energy: 0.34404936607091724
Energy: 0.34411228580685405
Energy: 0.45679037312487214
Energy: 0.40554297612564816
Energy: 0.4171780255020216
Energy: 0.4556956817200144
Energy: 0.4024041121715104
Energy: 0.4549085107555351
Energy: 0.45577098667050037
Energy: 0.4172346031482957
Energy: 0.4176165574251403
Energy: 0.45557730464327756
Energy: 0.4177733967800189
Energy: 0.41725539560466635
Energy: 0.4718089542630186
Energy: 0.39684292836254476
Energy: 0.4043623041740799
Energy: 0.45509947634463105
Energy: 0.4137334022964296
Energy: 0.4029782976080964
Energy: 0.43196426678497174
Energy: 0.36367284456187193
Energy: 0.36300311202139474
Energy: 0.4081498845973348
Energy: 0.3641019005938565
Energy: 0.36383562908098027
Energy: 0.47227752654495525
Energy: 0.46065289628579276
Energy: 0.4087361505511978
Energy: 0.40778301538554484
Energy: 0.46039503956172967
Energy: 0.40872790973408524
Energy: 0.7543923754254914
Energy: 0.4076618445688658
Energy: 0.40782628926854386
Energy: 0.40423269196007067
Energy: 0.4083592592874338
Energy: 0.40752561117372604

minimum gb energy = 0.34404936607091724 eV
minimum distance =  2.65603689935963 Angstroms
sigma value = 9


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

Energy: 0.8301607790309461
Energy: 0.47261290849512655
Energy: 0.47029854038012026
Energy: 0.44825075348151877
Energy: 0.39280722549746433
Energy: 0.47361502568208064
Energy: 0.6167401374471249
Energy: 0.3913877316521372
Energy: 0.3909817402383481
Energy: 0.3970231359994755
Energy: 0.3914808598047425
Energy: 0.4109571899447011
Energy: 0.5173622289304926
Energy: 0.39460429857858287
Energy: 0.3926490211530031
Energy: 0.39941982769350576
Energy: 0.3925338452095137
Energy: 0.36448240569027796
Energy: 0.5164020787071916
Energy: 0.4012689005373575
Energy: 0.34866156755039696
Energy: 0.3978160044101595
Energy: 0.4066834316750836
Energy: 0.408647147659305
Energy: 0.5847015030634982
Energy: 0.3988031767487038
Energy: 0.37443427236031956
Energy: 0.4011155186117675
Energy: 0.3980628161770283
Energy: 0.3781319803957642
Energy: 0.40051751210022035
Energy: 0.36225348105936306
Energy: 0.41074791885564427
Energy: 0.4005276498119332
Energy: 0.39550067645282994
Energy: 0.3987491811953864
Energy: 0.400851762237265
Energy: 0.37965260311490545
Energy: 0.3776076501003875
Energy: 0.40152772778610746
Energy: 0.37709029550277356
Energy: 0.40062242123619946
Energy: 0.4003233392224116
Energy: 0.39859885255597943
Energy: 0.4089512732082663
Energy: 0.40039859624630003
Energy: 0.3969304696131098
Energy: 0.4009867708041222
Energy: 0.6197876423378063
Energy: 0.38057174573724684
Energy: 0.3957302554801451
Energy: 0.4067484629983751
Energy: 0.39824488841213646
Energy: 0.3749127254231106
Energy: 0.6006130291919136
Energy: 0.404823099026604
Energy: 0.38805565560877214
Energy: 0.3944513427186607
Energy: 0.4333936557175607
Energy: 0.41277337859545776
Energy: 0.5992878093066532
Energy: 0.40042747710275634
Energy: 0.40058680128581325
Energy: 0.3985407876699155
Energy: 0.40015292873005476
Energy: 0.399054673946273
Energy: 0.649571940294174
Energy: 0.4003890153073832
Energy: 0.4004868909991835
Energy: 0.3894741001787195
Energy: 0.40153625240733787
Energy: 0.41126272722523544
Energy: 0.7248898122282696
Energy: 0.4001738324978723
Energy: 0.44935489220319974
Energy: 0.39571636411824074
Energy: 0.4002680080119387
Energy: 0.43870226724093137
Energy: 0.6440138811042276
Energy: 0.3994513012262109
Energy: 0.39391150643768474
Energy: 0.3966166351250438
Energy: 0.403559616160393
Energy: 0.3791356961373019
Energy: 0.39239998379462465
Energy: 0.40674420389707966
Energy: 0.38864906633358176
Energy: 0.39201150401780355
Energy: 0.4086756567382482
Energy: 0.39071271134578844
Energy: 0.39251495348707005
Energy: 0.35741582347611756
Energy: 0.37002421681909053
Energy: 0.39336628279634694
Energy: 0.3725723231280739
Energy: 0.37382105125093656
Energy: 0.3911288206378868
Energy: 0.3887552512971163
Energy: 0.3758949317320119
Energy: 0.39086266491723204
Energy: 0.38866021324514294
Energy: 0.3684449353241259
Energy: 0.48058178998277457
Energy: 0.39187311932637536
Energy: 0.4135589751079346
Energy: 0.3912015609274815
Energy: 0.39969441236275466
Energy: 0.40067844858498236
Energy: 0.4043402561723072
Energy: 0.3836137960613435
Energy: 0.36019049468839015
Energy: 0.39359762712765217
Energy: 0.3821811766505147
Energy: 0.3596599381699057
Energy: 0.40425070113113104
Energy: 0.39281745186936473
Energy: 0.35860639544999495
Energy: 0.39168143622668744
Energy: 0.39289266911912285
Energy: 0.3346836748610236
Energy: 0.4026720806161297
Energy: 0.3923218395918312
Energy: 0.36503331726625377
Energy: 0.38800451810269765
Energy: 0.39253164085809417
Energy: 0.3660984262001686
Energy: 0.5757804093095121
Energy: 0.38920075910195745
Energy: 0.40064915728946937
Energy: 0.3948920137339906
Energy: 0.39190472829830847
Energy: 0.41514187221216836
Energy: 0.6561577335899083
Energy: 0.39084494072410664
Energy: 0.3894236581821532
Energy: 0.3974296661247049
Energy: 0.39123322890663964
Energy: 0.37965720057666674
Energy: 0.5160130442718931
Energy: 0.39393925228903437
Energy: 0.39126368580499743
Energy: 0.3998821224660081
Energy: 0.39276329158242174
Energy: 0.39087839990747053
Energy: 0.5234805877979832
Energy: 0.3639295920711868
Energy: 0.374383270565372
Energy: 0.39544575807620863
Energy: 0.3923806673322026
Energy: 0.3748611075753229
Energy: 0.5164564094154391
Energy: 0.3905616985316885
Energy: 0.3751426380119523
Energy: 0.38047573356467446
Energy: 0.3903401820047468
Energy: 0.37869421248562557
Energy: 0.4646658376476451
Energy: 0.3835932917931059
Energy: 0.41562039545651946
Energy: 0.4707193741374518
Energy: 0.38329517602606417
Energy: 0.3921671391313938
Energy: 0.40038870116130565
Energy: 0.3790077499651777
Energy: 0.3781074239803365
Energy: 0.4001232200036346
Energy: 0.39003916290228113
Energy: 0.4003618270828435
Energy: 0.4005987837873596
Energy: 0.38049657683734617
Energy: 0.373398152950526
Energy: 0.4008267507424263
Energy: 0.3981314307127048
Energy: 0.4002280369204008
Energy: 0.5763135782853233
Energy: 0.4069209911128002
Energy: 0.38305316908372666
Energy: 0.4143281709166557
Energy: 0.3968520311739796
Energy: 0.4088409929384894
Energy: 0.6001775565262769
Energy: 0.405372509191962
Energy: 0.3872119208812195
Energy: 0.3996989039623291
Energy: 0.40490676438165446
Energy: 0.4018562558296731
Energy: 0.6203366816717328
Energy: 0.40077096424403974
Energy: 0.4015990282146441
Energy: 0.39473022078279346
Energy: 0.40100778196315434
Energy: 0.4130002337567091
Energy: 0.4299605297974537
Energy: 0.4016320255605065
Energy: 0.40082671857357394
Energy: 0.37379532886213795
Energy: 0.4037032647153211
Energy: 0.4000448100852617
Energy: 0.5176890523231713
Energy: 0.4003997764433353
Energy: 0.4003582539390927
Energy: 0.3986114599258187
Energy: 0.40099588502652156
Energy: 0.4096997948072531
Energy: 0.6285639822048433
Energy: 0.4007590381065311
Energy: 0.4035957688988511
Energy: 0.39730621674114985
Energy: 0.400766949450571
Energy: 0.378788944565232
Energy: 0.39304835108037345
Energy: 0.3982935346248341
Energy: 0.4009880463985408
Energy: 0.3833955838685455
Energy: 0.40022324127718845
Energy: 0.40698213195443994
Energy: 0.3922601714707387
Energy: 0.3351337836616606
Energy: 0.37101988609271125
Energy: 0.3932831765581345
Energy: 0.40066794173935943
Energy: 0.3643142612082119
Energy: 0.3910902446420106
Energy: 0.38701191934076584
Energy: 0.38663172616857167
Energy: 0.3912843045923238
Energy: 0.38727281783283873
Energy: 0.36435740967461516
Energy: 0.58994191996917
Energy: 0.3861161500956041
Energy: 0.3866055315702481
Energy: 0.5904461838046853
Energy: 0.3890947972639467
Energy: 0.3770962237059008
Energy: 0.40309436915269714
Energy: 0.38660239536928404
Energy: 0.3866222198326238
Energy: 0.3912650329410352
Energy: 0.38738074701039493
Energy: 0.36404420930507825
Energy: 0.4038378335004047
Energy: 0.35891714114479034
Energy: 0.358093639257434
Energy: 0.39136636928702007
Energy: 0.3932150155588324
Energy: 0.35758507211997903
Energy: 0.4031229193266224
Energy: 0.3938964677026363
Energy: 0.3940926735113213
Energy: 0.36236248121127246
Energy: 0.39299134785232925
Energy: 0.36604104207600624
Energy: 0.6577881714175735
Energy: 0.3909988941402114
Energy: 0.3647169835732346
Energy: 0.39697164400375146
Energy: 0.39127263267263596
Energy: 0.3797592732169555

minimum gb energy = 0.3346836748610236 eV
minimum distance =  2.66999653978578 Angstroms
sigma value = 57


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

Energy: 0.16533521037653393
Energy: 0.17134909616362945
Energy: 0.1721318845428341
Energy: 0.1650697965444487
Energy: 0.4904643752553811
Energy: 0.1655879298911086
Energy: 0.16599768722526406
Energy: 0.17265403697400902
Energy: 0.17357211629569116
Energy: 0.18865252561208185
Energy: 0.17284059232594223
Energy: 0.17314662983434792
Energy: 0.21914920819411632
Energy: 0.18942119411400707
Energy: 0.18960333641292837
Energy: 0.18950550879487763
Energy: 0.18944789753159322
Energy: 0.18984680555375755
Energy: 0.21919547731493433
Energy: 0.18954355510744156
Energy: 0.18959654154081984
Energy: 0.19028540526576496
Energy: 0.18951044108771103
Energy: 0.18983244659439244
Energy: 0.2183611816370062
Energy: 0.16540103618004093
Energy: 0.1732933779223964
Energy: 0.18971717984919872
Energy: 0.16511083812879665
Energy: 0.1853281368634147
Energy: 0.19000371181025372
Energy: 0.1652562157387416
Energy: 0.16547931525337625
Energy: 0.17258622672316176
Energy: 0.16810451878111277
Energy: 0.17264199705683875
Energy: 0.18910721304579287
Energy: 0.17246523374102168
Energy: 0.17319518301561398
Energy: 0.18840684334702973
Energy: 0.1717136531044195
Energy: 0.18540034506056371
Energy: 0.1901116708937792
Energy: 0.20888129413055043
Energy: 0.20891378161137447
Energy: 0.18946384393499444
Energy: 0.19052467132601655
Energy: 0.18969894108985383
Energy: 0.2179751410917915
Energy: 0.18928804839558455
Energy: 0.18617219702617097
Energy: 0.18920246277786246
Energy: 0.18857635603428607
Energy: 0.1895031729208311
Energy: 0.1656361465614806
Energy: 0.1890665457993801
Energy: 0.17353508241343085
Energy: 0.1651922164227444
Energy: 0.1884923901957539
Energy: 0.17307459756582316
Energy: 0.16556738682988748
Energy: 0.17360102250431886
Energy: 0.17268330511487634
Energy: 0.16508217619331986
Energy: 0.17307381794712737
Energy: 0.17504782339224986
Energy: 0.21900975592487013
Energy: 0.19004567928068988
Energy: 0.18975545966500804
Energy: 0.17336095041957228
Energy: 0.189837701581685
Energy: 0.17271483837405843
Energy: 0.21907161527104854
Energy: 0.21781778979287444
Energy: 0.20846435757780776
Energy: 0.20852380682061578
Energy: 0.21783766885953906
Energy: 0.20858556006295775
Energy: 0.21862619047192453
Energy: 0.18944397268842172
Energy: 0.18984693479613707
Energy: 0.18927297172043656
Energy: 0.1891032892663933
Energy: 0.1729644167247665
Energy: 0.17276361336967888
Energy: 0.16676540665874373
Energy: 0.1684765853025187
Energy: 0.17233848279220923
Energy: 0.16522640050462517
Energy: 0.1664979546826171
Energy: 0.19040626860511622
Energy: 0.1855708063675829
Energy: 0.18540375863037986
Energy: 0.18941079815770137
Energy: 0.16544076392229412
Energy: 0.17273425599824258
Energy: 0.19010637760772392
Energy: 0.18591148968414625
Energy: 0.17295175878646604
Energy: 0.1893583353477363
Energy: 0.18902564891186613
Energy: 0.18962929848142818
Energy: 0.2189374571637044
Energy: 0.20863393574352096
Energy: 0.2087419522826562
Energy: 0.218090505423248
Energy: 0.19018724379405427
Energy: 0.18972100663962194
Energy: 0.16569520988373823
Energy: 0.1729765951349433
Energy: 0.17320540293394546
Energy: 0.16522976261000596
Energy: 0.1723470875155356
Energy: 0.1852992850951151

minimum gb energy = 0.1650697965444487 eV
minimum distance =  2.71333599859275 Angstroms
sigma value = 11


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

Energy: 0.7181200403028455
Energy: 0.4021125149842013
Energy: 0.421242795226345
Energy: 0.4083243243700243
Energy: 0.34706524903473013
Energy: 0.4219896103547407
Energy: 0.5388762312424993
Energy: 0.3443715717292122
Energy: 0.34006338010781145
Energy: 0.3480945848931357
Energy: 0.3423111205130969
Energy: 0.3290924076667893
Energy: 0.3438531516328582
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Energy: 0.3414303414037143
Energy: 0.3368010635522589
Energy: 0.3435258684235596
Energy: 0.3372576618811543
Energy: 0.33784025409171603
Energy: 0.3427405622065557
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Energy: 0.3425760241830845
Energy: 0.34534354729359185
Energy: 0.349491268979623
Energy: 0.3275337591524888
Energy: 0.3583036506754478
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Energy: 0.3286885261451912
Energy: 0.4599712225644968
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Energy: 0.5819445939044522
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Energy: 0.34433456257245715
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Energy: 0.37587261564122726
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Energy: 0.44141568894634303
Energy: 0.3453282378895743
Energy: 0.39118585700968417
Energy: 0.42404629218839696
Energy: 0.34804107033873954
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Energy: 0.34166096812774543
Energy: 0.34305176557796907
Energy: 0.36835624892494284
Energy: 0.3596438988971405
Energy: 0.34479136946195876
Energy: 0.5450359789112225
Energy: 0.35816333906128006
Energy: 0.34951355807267087
Energy: 0.3464160700595477
Energy: 0.3747602969754858
Energy: 0.3534761037823062
Energy: 0.43890520555723983
Energy: 0.4877536587812372
Energy: 0.36977435830945804
Energy: 0.34193337883889047
Energy: 0.3893440773581765
Energy: 0.3731383319091383
Energy: 0.5641974553985584
Energy: 0.3574828309986417
Energy: 0.33878591266095653
Energy: 0.36266860812370366
Energy: 0.36761225854907753
Energy: 0.3290759799394114
Energy: 0.34360836525963717
Energy: 0.34507088925062657
Energy: 0.4240888145333912
Energy: 0.3434148953550684
Energy: 0.37696004976590614
Energy: 0.33820442480094215
Energy: 0.3435691050399595
Energy: 0.3520377680641764
Energy: 0.3512331434795452
Energy: 0.3438418817151659
Energy: 0.35477118205694386
Energy: 0.33103067652301404
Energy: 0.34779812007839417
Energy: 0.33965138323364935
Energy: 0.33579864054265063
Energy: 0.3483822620332784
Energy: 0.34240148027547407
Energy: 0.3345777109508755
Energy: 0.43721152751498604
Energy: 0.34475269016805116
Energy: 0.3422294036700032
Energy: 0.34858754998433883
Energy: 0.3437897292330573
Energy: 0.33630315635455127
Energy: 0.5826572324659017
Energy: 0.36835972367802716
Energy: 0.3378934949445054
Energy: 0.379855297563444
Energy: 0.3675610166136587
Energy: 0.3173958090809941

minimum gb energy = 0.3173958090809941 eV
minimum distance =  2.68184954466585 Angstroms
sigma value = 41


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

Energy: 0.703362648238276
Energy: 0.45302926481781125
Energy: 0.45313432543442317
Energy: 0.47249931318284627
Energy: 0.37987672299271785
Energy: 0.47198376410462556
Energy: 0.6570705958770342
Energy: 0.3530035316743855
Energy: 0.36925708622025305
Energy: 0.3756378991385895
Energy: 0.3781501096163849
Energy: 0.3597155368631819
Energy: 0.3795890371015141
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Energy: 0.3680205310229059
Energy: 0.3571026665000593
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Energy: 0.3544373009062144
Energy: 0.3782976776148553
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Energy: 0.3588781399824864
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Energy: 0.3661363903738571
Energy: 0.37663139615882363
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Energy: 0.3790960638006448
Energy: 0.3746299754124316
Energy: 0.35890554207824665
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Energy: 0.40465696025820885
Energy: 0.4048127497585865
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Energy: 0.4061002651949451
Energy: 0.3404152505601224
Energy: 0.5293914460304208
Energy: 0.37115677220629245
Energy: 0.3715043139625385
Energy: 0.37408319285965275
Energy: 0.37145226469675263
Energy: 0.35726898359388665
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Energy: 0.3775827605709356
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Energy: 0.368011094163636
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Energy: 0.3720494585850565
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Energy: 0.3490146344517933
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Energy: 0.34192216302904954
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Energy: 0.4501786560929999
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Energy: 0.5062648358711573
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Energy: 0.35970349953573677
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Energy: 0.3780384336405795
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Energy: 0.3777786342951825
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Energy: 0.3536632942275568
Energy: 0.36032289192218153
Energy: 0.3796453439165169
Energy: 0.3802393695860302
Energy: 0.36566066045570356
Energy: 0.3782593307713209
Energy: 0.36798833183538054
Energy: 0.36019679725606996
Energy: 0.3865952939589736
Energy: 0.37141997211087324
Energy: 0.35853902926235237
Energy: 0.4673987473681553
Energy: 0.41902629854914425
Energy: 0.4420053188189953
Energy: 0.4682549692279789
Energy: 0.4418453010629615
Energy: 0.4419585992515279
Energy: 0.5290705734150896
Energy: 0.37202105774967775
Energy: 0.3564520765593819
Energy: 0.3872271242986686
Energy: 0.3713318258734407
Energy: 0.3604098568153176
Energy: 0.4361314487023059
Energy: 0.40559734817962384
Energy: 0.41367746339910316
Energy: 0.4130147518865925
Energy: 0.40549970707564265
Energy: 0.3403824214279191
Energy: 0.5198933734124854
Energy: 0.37283426435768746
Energy: 0.36980333943672855
Energy: 0.38677285411483253
Energy: 0.37509536237574836
Energy: 0.3575589973556047
Energy: 0.5202318830893818
Energy: 0.3765844005258152
Energy: 0.3721487919488188
Energy: 0.37741092273226207
Energy: 0.3834454507768742
Energy: 0.35993472186024533
Energy: 0.51847784220214
Energy: 0.3734709333073243
Energy: 0.3764421857682499
Energy: 0.37713417427325824
Energy: 0.3832462505455516
Energy: 0.3648846620762833
Energy: 0.6499049813962938
Energy: 0.34479527704873497
Energy: 0.3597629924434674
Energy: 0.37215028145426315
Energy: 0.33944725585987795
Energy: 0.3598715201635498
Energy: 0.37169443565991006
Energy: 0.46931485797810885
Energy: 0.4689153822393269
Energy: 0.3711710594257726
Energy: 0.3974667183014777
Energy: 0.46863612748674616
Energy: 0.3708439876607387
Energy: 0.3719725383853155
Energy: 0.3938293051024869
Energy: 0.37083898890999945
Energy: 0.3756705791614772
Energy: 0.3718457535645083
Energy: 0.4041933171826492
Energy: 0.3736629174331196
Energy: 0.4052258606140484
Energy: 0.40486115985871113
Energy: 0.37913882229154283
Energy: 0.40537165748345
Energy: 0.5060950568629928
Energy: 0.37823088716711534
Energy: 0.35676425087459546
Energy: 0.3748172530565783
Energy: 0.3791592225252272
Energy: 0.36517711295646776
Energy: 0.6234713187307872
Energy: 0.36740152509862
Energy: 0.3466114962593765
Energy: 0.3396582100369064
Energy: 0.3734834904522917
Energy: 0.3463704136393331

minimum gb energy = 0.33944725585987795 eV
minimum distance =  2.68085864547158 Angstroms
sigma value = 33


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

Energy: 0.5025170165012414
Energy: 0.5729895415801189
Energy: 0.5723062050677336
Energy: 0.4992184075872001
Energy: 0.7346141171934356
Energy: 0.5725876702407724
Energy: 0.7208393966153196
Energy: 0.3692099506863447
Energy: 0.3904654543389043
Energy: 0.3839369671661485
Energy: 0.4176077168042902
Energy: 0.3909452635042927
Energy: 0.41930476828673613
Energy: 0.4143615762306209
Energy: 0.37396782746149293
Energy: 0.4182036561555569
Energy: 0.4167417131380221
Energy: 0.37317372541299887
Energy: 0.417338407217081
Energy: 0.3818662693519309
Energy: 0.37196154570013484
Energy: 0.4167943028901346
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Energy: 0.3721581070423819
Energy: 0.41377357152381905
Energy: 0.36439495543981426
Energy: 0.3841335706632641
Energy: 0.4261297931125223
Energy: 0.4106956238880069
Energy: 0.3877620425084846
Energy: 0.4659040186147001
Energy: 0.363961236208315
Energy: 0.3597686454917334
Energy: 0.42303974506622155
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Energy: 0.37932298559035904
Energy: 0.7207984173123553
Energy: 0.5248522355103837
Energy: 0.35484294726973464
Energy: 0.3548042314237882
Energy: 0.5315176091404901
Energy: 0.3686004054826345

minimum gb energy = 0.35454694381715995 eV
minimum distance =  2.67023359069162 Angstroms
sigma value = 67


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

Energy: 0.589858734931327
Energy: 0.36391081226314975
Energy: 0.363964889054559
Energy: 0.36355941613919096
Energy: 0.44408797601490735
Energy: 0.3635959463411846
Energy: 0.5100883109087804
Energy: 0.3835028908971171
Energy: 0.3831016309345176
Energy: 0.38318051812409004
Energy: 0.3840790801003302
Energy: 0.3816284655442475
Energy: 0.43977462968226055
Energy: 0.34993312610315447
Energy: 0.3741262538548187
Energy: 0.3745330159722494
Energy: 0.3498441340279337
Energy: 0.37381710228590853
Energy: 0.4386751982583061
Energy: 0.3736650431310751
Energy: 0.37309731765538506
Energy: 0.3763404350313564
Energy: 0.37439398045902594
Energy: 0.37322565329720775
Energy: 0.4385734683279532
Energy: 0.37519746409692467
Energy: 0.3829088467551096
Energy: 0.43935981053933193
Energy: 0.3749096398045195
Energy: 0.3830041830995753
Energy: 0.43992022890595744
Energy: 0.3478130203721591
Energy: 0.3827089835936712
Energy: 0.4405214490010864
Energy: 0.3472521825776672
Energy: 0.44813938410814025
Energy: 0.5068745765336221
Energy: 0.3825805605746175
Energy: 0.3825230978573165
Energy: 0.34283223005026175
Energy: 0.38529437536279626
Energy: 0.3816518293286812

minimum gb energy = 0.34283223005026175 eV
minimum distance =  2.71322553446076 Angstroms
sigma value = 3


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

Energy: 0.7672046288178274
Energy: 0.5108808325927902
Energy: 0.4912215365406786
Energy: 0.4263974575939305
Energy: 0.7157742398201303
Energy: 0.4929502771433681
Energy: 0.49032478225014153
Energy: 0.4202739152327392
Energy: 0.42058189805679197
Energy: 0.43578082001569185
Energy: 0.4771386889322506
Energy: 0.41789447260837553
Energy: 0.4177334811972726
Energy: 0.4137318657922776
Energy: 0.4136318468522111
Energy: 0.41685261198415074
Energy: 0.43681635281533204
Energy: 0.44019548519382173
Energy: 0.41766389022965306
Energy: 0.4167128474959788
Energy: 0.41619885847903243
Energy: 0.41819008801662555
Energy: 0.41429395147104797
Energy: 0.41618646435991946
Energy: 0.4267324842243051
Energy: 0.42346978185905104
Energy: 0.42345642971474234
Energy: 0.4274004467019172
Energy: 0.45600551943412454
Energy: 0.42206395015509923
Energy: 0.46709119700672336
Energy: 0.47727027660717525
Energy: 0.45711443509950844
Energy: 0.4681281639444681
Energy: 0.45729047210195467
Energy: 0.48176023262835216
Energy: 0.4226470225406427
Energy: 0.5020634839903766
Energy: 0.4555612111594283
Energy: 0.45945611474910003
Energy: 0.5182694259494154
Energy: 0.4566636700625182
Energy: 0.7131671673232097
Energy: 0.5263321088727038
Energy: 0.46171700310398917
Energy: 0.42970110257172806
Energy: 0.4677573965455537
Energy: 0.46252149183808944
Energy: 0.42212571310441793
Energy: 0.42714876477339975
Energy: 0.42616865638544976
Energy: 0.5088721939469818
Energy: 0.5087371584445355
Energy: 0.4261380130060356
Energy: 0.5484721402503845
Energy: 0.4139012119480343
Energy: 0.41395473385613674
Energy: 0.5335093377732587
Energy: 0.4137417630494636
Energy: 0.41402823137108297
Energy: 0.5084869987779341
Energy: 0.41483584733069984
Energy: 0.41397949521970645
Energy: 0.5075449484944945
Energy: 0.414233344010698
Energy: 0.49017667700291684
Energy: 0.5118774560013715
Energy: 0.4758961586409498
Energy: 0.4567449913683803
Energy: 0.4617505265729865
Energy: 0.47543071867857234
Energy: 0.4556154784504027
Energy: 0.4708178788639164
Energy: 0.4223226579600959
Energy: 0.4189086963534589
Energy: 0.48835740238439723
Energy: 0.42245827557119975
Energy: 0.4237458390509317
Energy: 0.5714542362831531
Energy: 0.41992315546292985
Energy: 0.4171005406914201
Energy: 0.45404056075575766
Energy: 0.4183914578783939
Energy: 0.41694638668384154
Energy: 0.5022207663102575
Energy: 0.4193306890749681
Energy: 0.4637392720475283
Energy: 0.4761454905128046
Energy: 0.4180570976169089
Energy: 0.47727687047532613
Energy: 0.5678564890706045
Energy: 0.41919476294238583
Energy: 0.4160486368355822
Energy: 0.4931666845275248
Energy: 0.4174711059656074
Energy: 0.41677382802606083
Energy: 0.5509252268332445
Energy: 0.4134019157460896
Energy: 0.44339429810361036
Energy: 0.5326016442761277
Energy: 0.4355837110612366
Energy: 0.48833477965156985
Energy: 0.49748642165336954
Energy: 0.4267011922849469
Energy: 0.4456140999922177
Energy: 0.49935579244965084
Energy: 0.44296072112141205
Energy: 0.45776032332857036
Energy: 0.7004046461266872
Energy: 0.4432913614199829
Energy: 0.4179468233033
Energy: 0.41659680461575715
Energy: 0.4775627182879261
Energy: 0.4171146050712608
Energy: 0.5279005963398072
Energy: 0.4357481139419095
Energy: 0.43787900303744903
Energy: 0.4170465290834702
Energy: 0.4531096281901866
Energy: 0.4168442149405494
Energy: 0.4560503777924598
Energy: 0.466405120044389
Energy: 0.46396845082739935
Energy: 0.4928962106896096
Energy: 0.46159148071991557
Energy: 0.4663029004522467
Energy: 0.4474090772538556
Energy: 0.5113766012352304
Energy: 0.502239555317128
Energy: 0.46118217604539424
Energy: 0.5002269507508318
Energy: 0.5034706985040757
Energy: 0.44694978028908117
Energy: 0.4609249307936804
Energy: 0.45955369026727255
Energy: 0.44924274146821774
Energy: 0.4903405327237721
Energy: 0.45983102534773795
Energy: 0.44334523285283367
Energy: 0.4148160196581326
Energy: 0.45492393508096723
Energy: 0.44321532660551616
Energy: 0.4370976193749609
Energy: 0.4459902123488638
Energy: 0.4182401535509122
Energy: 0.417844369959097
Energy: 0.4168096888636898
Energy: 0.43232240969536184
Energy: 0.42001249764742576
Energy: 0.41839540032321343
Energy: 0.737337805660699
Energy: 0.41778193570815103
Energy: 0.5271387945025596
Energy: 0.45520257237171047
Energy: 0.5304435873248273
Energy: 0.4552266414714598
Energy: 0.5958562926063709
Energy: 0.4603765569646476
Energy: 0.4748802145986749
Energy: 0.41428296628238576
Energy: 0.5458278716684645
Energy: 0.45506396680187045
Energy: 0.4192743227863497
Energy: 0.41722841678734196
Energy: 0.4177869237415299
Energy: 0.4329610335679549
Energy: 0.41916557629133167
Energy: 0.416828243731091
Energy: 0.4161094973242613
Energy: 0.43688301432969107
Energy: 0.437239618186297
Energy: 0.41620277996011523
Energy: 0.4153928818113048
Energy: 0.4169379687973571
Energy: 0.4182612019967282
Energy: 0.4199352236588957
Energy: 0.4217540033283302
Energy: 0.41879430699268344
Energy: 0.5028319768045787
Energy: 0.41846452206134893
Energy: 0.4181836568390366
Energy: 0.4178601348082269
Energy: 0.41781064872416784
Energy: 0.42062247385326507
Energy: 0.4803911799914452
Energy: 0.4584827365176657
Energy: 0.4247604529578872
Energy: 0.461456567325981
Energy: 0.458495655327593
Energy: 0.45875385834222976
Energy: 0.4941618284627763
Energy: 0.4569186101835258
Energy: 0.5546543508530544
Energy: 0.4786227259192801
Energy: 0.4862188064797627
Energy: 0.4298449759879022
Energy: 0.497845782057834
Energy: 0.43692856080916365
Energy: 0.6393226274275284
Energy: 0.45603021774947905
Energy: 0.45873598301013413
Energy: 0.41067507241570533
Energy: 0.5011078766647922
Energy: 0.4599452574757822
Energy: 0.4276863140468836
Energy: 0.4148061853262667
Energy: 0.41506811195083665
Energy: 0.4586724834726925
Energy: 0.41370930267187883
Energy: 0.47769631660418854
Energy: 0.5229756481475892
Energy: 0.4139016402817571
Energy: 0.4139693994495572
Energy: 0.5218776200311946
Energy: 0.4137394848413667
Energy: 0.4656420033948292
Energy: 0.511935782674021
Energy: 0.45598632141376905
Energy: 0.45605349416615265
Energy: 0.5194614193610366
Energy: 0.44641748740235426
Energy: 0.457948993674412
Energy: 0.5767038637480989
Energy: 0.4593407345135162
Energy: 0.4589838456168764
Energy: 0.4955744701739389
Energy: 0.42088840056696764
Energy: 0.46949028059958325
Energy: 0.4751281798373832
Energy: 0.42160555528885185
Energy: 0.41807322096059174
Energy: 0.4792688120019638
Energy: 0.42070790937575536
Energy: 0.41812065607646476
Energy: 0.5016563832765403
Energy: 0.41657454960692064
Energy: 0.41685997082799153
Energy: 0.4747888994086439
Energy: 0.41644340361827004
Energy: 0.4171907854756342
Energy: 0.6262689373927678
Energy: 0.44176026508821564
Energy: 0.4168135853406826
Energy: 0.4942549055528061
Energy: 0.43984815675210914
Energy: 0.41654292400655035
Energy: 0.5514247334900982
Energy: 0.45877833457837464
Energy: 0.4781373926879872
Energy: 0.567872479038359
Energy: 0.41378354600630357
Energy: 0.45529531831534864
Energy: 0.5163490773944147
Energy: 0.4355038436320484
Energy: 0.4358347048799202
Energy: 0.5350609229334465
Energy: 0.43582566118767396
Energy: 0.4785898068564981
Energy: 0.5993850804868645
Energy: 0.41755054953116094
Energy: 0.4156972263813059
Energy: 0.49367276921394
Energy: 0.432204616204468
Energy: 0.4152205849837972
Energy: 0.6635960917628619
Energy: 0.4455594286393187
Energy: 0.4594055850208446
Energy: 0.4677829386858571
Energy: 0.4455952810696326
Energy: 0.4590514543556477
Energy: 0.4552806307291187
Energy: 0.4539675512785863
Energy: 0.4609477692292601
Energy: 0.44057461259842895
Energy: 0.4486979813951679
Energy: 0.4572093644554387
Energy: 0.4491740195863824
Energy: 0.4710956267534257
Energy: 0.4996898222760225
Energy: 0.4728300466026304
Energy: 0.4588341625846592
Energy: 0.5002337031377311
Energy: 0.459259346138904
Energy: 0.49664430944676025
Energy: 0.4949524117268281
Energy: 0.4614140887019011
Energy: 0.4914224927549473
Energy: 0.46492362759225897
Energy: 0.44792741157035487
Energy: 0.4142047376200933
Energy: 0.4146642096789293
Energy: 0.44726564291213405
Energy: 0.4146789854226825
Energy: 0.44416435158526923
Energy: 0.5008390455356306
Energy: 0.4351723355049288
Energy: 0.41481111426897394
Energy: 0.4732162906093908
Energy: 0.41532350431863874
Energy: 0.44039979512992233
Energy: 0.4911870285913561
Energy: 0.4554596975326741
Energy: 0.41976323669161736
Energy: 0.460726437235248
Energy: 0.47743373329962957
Energy: 0.44484404653396264

minimum gb energy = 0.41067507241570533 eV
minimum distance =  2.60714740421628 Angstroms
sigma value = 81


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

Energy: 0.8732071593963026
Energy: 0.46871119786413445
Energy: 0.44526389933922134
Energy: 0.4461643160004231
Energy: 0.5196186479942189
Energy: 0.4659687457173081
Energy: 0.43492685475940995
Energy: 0.41919414735414556
Energy: 0.4559724672348042
Energy: 0.430021476685188
Energy: 0.4281573014123025
Energy: 0.45486442688412004
Energy: 0.5574139763527874
Energy: 0.49434578087986863
Energy: 0.4949283878200715
Energy: 0.5146890104880695
Energy: 0.45354094505982484
Energy: 0.48619557141992525
Energy: 0.45687186892760745
Energy: 0.4957231535352658
Energy: 0.5109843977363193
Energy: 0.45874361581404666
Energy: 0.4489268972764574
Energy: 0.4539435316927632
Energy: 0.45888661178228135
Energy: 0.47383209899220863
Energy: 0.4814595578323998
Energy: 0.4603400152403982
Energy: 0.4811275860928231
Energy: 0.474066016892527
Energy: 0.496210601547766
Energy: 0.47791553552947197
Energy: 0.47952788875015406
Energy: 0.48606658828718385
Energy: 0.4781386441102381
Energy: 0.4788552906024006
Energy: 0.46703519668899157
Energy: 0.4836612774342238
Energy: 0.4809316429483249
Energy: 0.4666813240757982
Energy: 0.4837942670428009
Energy: 0.4812675154586081
Energy: 0.7105204694471753
Energy: 0.5316504783609092
Energy: 0.5182967745671009
Energy: 0.44607201861054896
Energy: 0.5159578830101429
Energy: 0.4575125713208759
Energy: 0.5012827299027597
Energy: 0.4812366289498371
Energy: 0.46087055947664235
Energy: 0.4927382251070016
Energy: 0.49309357162560297
Energy: 0.4605717541808615
Energy: 0.521941485555634
Energy: 0.4255333810330558
Energy: 0.4327743537851351
Energy: 0.4906008530659371
Energy: 0.42535027238566236
Energy: 0.4328496468346078
Energy: 0.46330379217480666
Energy: 0.4270691390767525
Energy: 0.42965241711378677
Energy: 0.47417894282779294
Energy: 0.4269838854269561
Energy: 0.4531445745937642
Energy: 0.4654586069921098
Energy: 0.5331753573290445
Energy: 0.5332510682283677
Energy: 0.4400640247614504
Energy: 0.5325473177992587
Energy: 0.5327493776702577
Energy: 0.46568741141739317
Energy: 0.4701244171521807
Energy: 0.5204490767342621
Energy: 0.4536884707737448
Energy: 0.4701848807719867
Energy: 0.494708250707983
Energy: 0.4614316061677272
Energy: 0.4709481468439104
Energy: 0.46907264705327767
Energy: 0.45709778810594304
Energy: 0.47144844018389465
Energy: 0.46428956146479394
Energy: 0.5623800309535253
Energy: 0.4637527311753318
Energy: 0.4617836793069425
Energy: 0.46237621976764226
Energy: 0.4637495128885919
Energy: 0.4620873565449132
Energy: 0.4753408826258984
Energy: 0.46354254864485184
Energy: 0.46429278918179157
Energy: 0.4622700347012786
Energy: 0.4500640010021593
Energy: 0.46255307339019697
Energy: 0.5598092985070038
Energy: 0.4460006193452195
Energy: 0.4576277011151495
Energy: 0.48531411761694193
Energy: 0.4453606205140126
Energy: 0.45910181586983057
Energy: 0.5286466728010413
Energy: 0.4443336963500101
Energy: 0.4447495080195196
Energy: 0.5060807671999819
Energy: 0.46157205825514364
Energy: 0.4455403078263867
Energy: 0.5723270171587299
Energy: 0.44306284237218974
Energy: 0.3964998187148645
Energy: 0.39613391350236704
Energy: 0.44563406324961496
Energy: 0.39656525161696954
Energy: 0.588485842410915
Energy: 0.44323336719248974
Energy: 0.3966676720817533
Energy: 0.39634993297078547
Energy: 0.4466570653806983
Energy: 0.39680680607344376
Energy: 0.42769867272576784
Energy: 0.44438663282192
Energy: 0.44481495615340133
Energy: 0.4919462629892817
Energy: 0.4621466182673624
Energy: 0.444774659577349
Energy: 0.4709430785488605
Energy: 0.49762708590379395
Energy: 0.49663519002385215
Energy: 0.4405999452464299
Energy: 0.4947643501376885
Energy: 0.49637889001863794
Energy: 0.47339547003167326
Energy: 0.47123658067344926
Energy: 0.46160093169217015
Energy: 0.47918860554349285
Energy: 0.45080924146557305
Energy: 0.4632716108617469
Energy: 0.4734151772753401
Energy: 0.4602730435856907
Energy: 0.46003119491553723
Energy: 0.45945066070849616
Energy: 0.4814850540356906
Energy: 0.45976611508644394
Energy: 0.4815650348761188
Energy: 0.4723627458223699
Energy: 0.46165888812013184
Energy: 0.462303475116296
Energy: 0.47272164206279504
Energy: 0.46245143592165805
Energy: 0.6449143000086444
Energy: 0.5100081099152685
Energy: 0.4756662423770233
Energy: 0.44599609410556573
Energy: 0.5114554043717296
Energy: 0.4767627225091496
Energy: 0.6187349769932893
Energy: 0.4946135668572508
Energy: 0.4983269997475512
Energy: 0.4507598693886229
Energy: 0.5240618896996098
Energy: 0.48611801430857526
Energy: 0.46216462997484836
Energy: 0.42659697023006604
Energy: 0.45123926880162496
Energy: 0.4706184055874528
Energy: 0.4346196585874593
Energy: 0.45288938227521797
Energy: 0.5065395661713089
Energy: 0.42598315450354063
Energy: 0.4258960243073333
Energy: 0.49685604236928144
Energy: 0.4258661224991093
Energy: 0.4256890091200883
Energy: 0.5054175363276898
Energy: 0.5168989483596038
Energy: 0.46131975237460354
Energy: 0.49116561397148223
Energy: 0.46898127058315575
Energy: 0.49384817491404426
Energy: 0.4582435625789018
Energy: 0.5307114739844498
Energy: 0.5165257467953411
Energy: 0.45271715384909833
Energy: 0.5461915122243574
Energy: 0.4954762477951603
Energy: 0.5016625452502802
Energy: 0.4754280836259591
Energy: 0.443564079724142
Energy: 0.467807661580152
Energy: 0.47412613746331034
Energy: 0.44229180410884983
Energy: 0.5586476428930487
Energy: 0.48057289032279044
Energy: 0.4830945632258218
Energy: 0.4831886265709559
Energy: 0.47162870848811467
Energy: 0.47985639717819684
Energy: 0.5496253423786388
Energy: 0.47743824093180126
Energy: 0.4852514001500668
Energy: 0.4756879755985122
Energy: 0.486585983334574
Energy: 0.47816645783515244
Energy: 0.5436302827294955
Energy: 0.47225225858914166
Energy: 0.4805813520106731
Energy: 0.49961661578029576
Energy: 0.4469395601492979
Energy: 0.47374351315710017
Energy: 0.5626371832616341
Energy: 0.44526128940210763
Energy: 0.44493436616865145
Energy: 0.540219013074932
Energy: 0.4190927998904807
Energy: 0.5043137761366439
Energy: 0.4904317515219891
Energy: 0.4193348719692297
Energy: 0.4557708948745987
Energy: 0.443087149611983
Energy: 0.41960503508287134
Energy: 0.4592346441718483
Energy: 0.676117596183636
Energy: 0.47708007934148106
Energy: 0.4461632128250151
Energy: 0.43070309345404156
Energy: 0.4825237966402322
Energy: 0.46392853113165594

minimum gb energy = 0.39613391350236704 eV
minimum distance =  2.65487602275552 Angstroms
sigma value = 43


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

Energy: 0.8314803107081732
Energy: 0.5235429573117146
Energy: 0.4959883761574453
Energy: 0.4487814738047499
Energy: 0.5582215843209793
Energy: 0.44680161309005506
Energy: 0.402312775237834
Energy: 0.4842112225725599
Energy: 0.4650627115506815
Energy: 0.43320076189219603
Energy: 0.4523152723370895
Energy: 0.41571273065820114
Energy: 0.4164624613846461
Energy: 0.4040247611330289
Energy: 0.4041295691525438
Energy: 0.5002402975029185
Energy: 0.4033505996143036
Energy: 0.41722997465490475
Energy: 0.4159940624288797
Energy: 0.40294829252734243
Energy: 0.4160661025432484
Energy: 0.4160686894921158
Energy: 0.4068736939227327
Energy: 0.4161223344485707
Energy: 0.4162628174012095
Energy: 0.5008236661200458
Energy: 0.46919053652165377
Energy: 0.416066434695933
Energy: 0.47027573476816575
Energy: 0.42231200164065963
Energy: 0.4167848395749784
Energy: 0.4154641137214853
Energy: 0.5052400315919156
Energy: 0.5072526776350779
Energy: 0.41624110300889894
Energy: 0.5132069796351515
Energy: 0.44165021653228
Energy: 0.42057276609898536
Energy: 0.426274456217375
Energy: 0.45654780841034837
Energy: 0.41559312568082246
Energy: 0.42658401981439403
Energy: 0.5110412120156486
Energy: 0.4173719942329849
Energy: 0.41721586140973477
Energy: 0.40022804448162325
Energy: 0.4164438174750784
Energy: 0.4398833304119717
Energy: 0.4465446919235788
Energy: 0.4438929395361201
Energy: 0.4166682586668985
Energy: 0.449528097347023
Energy: 0.44499743628511307
Energy: 0.4162934536027515
Energy: 0.5741740225101196
Energy: 0.41614662558798166
Energy: 0.4160482342819882
Energy: 0.5836609187363495
Energy: 0.4158355768855575
Energy: 0.41548841289670296
Energy: 0.45674652167211144
Energy: 0.42198038312339536
Energy: 0.4694884172936416
Energy: 0.44477494302053094
Energy: 0.4581332458331661
Energy: 0.46487293272827745
Energy: 0.5153378138861139
Energy: 0.4430889364164203
Energy: 0.41682072159062694
Energy: 0.42866452035162733
Energy: 0.44302768143204047
Energy: 0.4163243884477514
Energy: 0.548302875269957
Energy: 0.41717206751427816
Energy: 0.42931093161419975
Energy: 0.403449222377091
Energy: 0.4431801894779057
Energy: 0.4292950595905082
Energy: 0.40033163853079023
Energy: 0.42117930099858714
Energy: 0.4650734911522823
Energy: 0.4206619038962766
Energy: 0.4579837219602189
Energy: 0.46550078115905497
Energy: 0.40064546165924864
Energy: 0.5067309025154947
Energy: 0.507310421490787
Energy: 0.40511357648704793
Energy: 0.5099017987264975
Energy: 0.4641745899413261
Energy: 0.40003944131841634
Energy: 0.40970807863164493
Energy: 0.4049193441400025
Energy: 0.4054651303968598
Energy: 0.46856372577724886
Energy: 0.40483336839146633
Energy: 0.4010915950376812
Energy: 0.40032277295405183
Energy: 0.40023817754576124
Energy: 0.4014259967258103
Energy: 0.5007602799869992
Energy: 0.4064473996299206
Energy: 0.40010486081609736
Energy: 0.4453547464160533
Energy: 0.4457094665374491
Energy: 0.47273978104357955
Energy: 0.4812405722687922
Energy: 0.4055189141394892
Energy: 0.548638069589618
Energy: 0.43417456654392794
Energy: 0.44773920779766957
Energy: 0.4218064685756422
Energy: 0.47012819835057884
Energy: 0.44218718793742756
Energy: 0.478993202397285
Energy: 0.4341517037692088
Energy: 0.4059040591506497
Energy: 0.4153259920640066
Energy: 0.47235896651615183
Energy: 0.41624490241016854
Energy: 0.4006036175763106
Energy: 0.47103858566694656
Energy: 0.44618989831113776
Energy: 0.43833184343422293
Energy: 0.4712552368242183
Energy: 0.44535898395383855
Energy: 0.5189917072285485
Energy: 0.46235226593377377
Energy: 0.47487043663864004
Energy: 0.5108847357007467
Energy: 0.42880681188170344
Energy: 0.474725494474646
Energy: 0.4758507805783877
Energy: 0.4703336905347041
Energy: 0.446683956410985
Energy: 0.4587608551390348
Energy: 0.4497709508681084
Energy: 0.4510063691334055
Energy: 0.47372920996290807
Energy: 0.45093847971384393
Energy: 0.4504767030869874
Energy: 0.4780619300622823
Energy: 0.45099976917660783
Energy: 0.4497688265103642
Energy: 0.47744638703283704
Energy: 0.4001167156464268
Energy: 0.40541551237344287
Energy: 0.4943103531291094
Energy: 0.4000671055821931
Energy: 0.4055257515852823
Energy: 0.45307591499250616
Energy: 0.40575704687597375
Energy: 0.40571607836585766
Energy: 0.46513432123832965
Energy: 0.40088296907353865
Energy: 0.40519874076029067
Energy: 0.4534407067934343
Energy: 0.5032812898742973
Energy: 0.5020423292621037
Energy: 0.42112232593325183
Energy: 0.4621770955423191
Energy: 0.46362796079428076
Energy: 0.4588509495089332
Energy: 0.4722063278777197
Energy: 0.4218275306060806
Energy: 0.45779835181396844
Energy: 0.42597778876776227
Energy: 0.42185206886072824
Energy: 0.4669532608117208
Energy: 0.4171736697640922
Energy: 0.41703638967462225
Energy: 0.466804451132148
Energy: 0.4216064319985526
Energy: 0.41680122559966865
Energy: 0.41626363781498027
Energy: 0.4809960906346816
Energy: 0.4716641433902088
Energy: 0.43366112768328857
Energy: 0.45242253176829034
Energy: 0.41612286160930334
Energy: 0.6159460745650184
Energy: 0.4160177631380914
Energy: 0.4945696568052793
Energy: 0.42882882047501275
Energy: 0.533856762865322
Energy: 0.4036384711908094

minimum gb energy = 0.40003944131841634 eV
minimum distance =  2.68986268879446 Angstroms
sigma value = 57


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

Energy: 0.6242587390236074
Energy: 0.4626220664749961
Energy: 0.4629958549464402
Energy: 0.503591691086683
Energy: 0.4667999206803734
Energy: 0.4623182228755911
Energy: 0.5067368607296607
Energy: 0.4120750749239527
Energy: 0.4081515212245027
Energy: 0.40795944295696257
Energy: 0.4124434005669921
Energy: 0.4079651078502093
Energy: 0.4097182676954101
Energy: 0.3713245038193343
Energy: 0.3711778442785191
Energy: 0.4079862922259274
Energy: 0.37158941004022455
Energy: 0.371042994784817
Energy: 0.40989839198469585
Energy: 0.37124307402308987
Energy: 0.3712540644440217
Energy: 0.4069767036177177
Energy: 0.42442531279487056
Energy: 0.40718198269522893
Energy: 0.4076094742555891
Energy: 0.3905878671324558
Energy: 0.39103492981337956
Energy: 0.4084094497265371
Energy: 0.3895274586642482
Energy: 0.3886592501800842
Energy: 0.37122304119658167
Energy: 0.3878917375366267
Energy: 0.452044099044701
Energy: 0.5122897958012087
Energy: 0.40990400742312083
Energy: 0.4522017964767792
Energy: 0.5442971698788843
Energy: 0.407533624273948
Energy: 0.40707827508802896
Energy: 0.4076101561119522
Energy: 0.4088828647291284
Energy: 0.4074743515461673
Energy: 0.40817640743812944
Energy: 0.48601571578311525
Energy: 0.48646066415700934
Energy: 0.3873280813693971
Energy: 0.4860724821740047
Energy: 0.4862901820047664
Energy: 0.4124701189780792
Energy: 0.40892705359950704
Energy: 0.409175226084953
Energy: 0.4128688878826787
Energy: 0.41350341829426523
Energy: 0.4080480349987412
Energy: 0.5320114457347832
Energy: 0.4077625078750561
Energy: 0.4064991673211413
Energy: 0.46868544247010097
Energy: 0.40918174451607325
Energy: 0.4070830588086568
Energy: 0.450584269454196
Energy: 0.4598081390608195
Energy: 0.46621349128416884
Energy: 0.4131269243311669
Energy: 0.4059075255322665
Energy: 0.40965546204750936
Energy: 0.6397801629382478
Energy: 0.4826580785464089
Energy: 0.4821158274187617
Energy: 0.37073444037406805
Energy: 0.41375402902346525
Energy: 0.4432078238475891
Energy: 0.647422094954449
Energy: 0.4857357051119078
Energy: 0.4440603147038019
Energy: 0.4413650282586424
Energy: 0.4838939279477948
Energy: 0.44404845362193746
Energy: 0.4077282221781623
Energy: 0.41191108921414127
Energy: 0.4619373390062191
Energy: 0.4139154252872872
Energy: 0.41285156846127674
Energy: 0.40793603516494675
Energy: 0.40818303993371163
Energy: 0.5054132778445358
Energy: 0.5114583531591674
Energy: 0.4081909042825493
Energy: 0.5091860249881435
Energy: 0.5092962879112506
Energy: 0.4071836430041973
Energy: 0.389829393522571
Energy: 0.4502525779340789
Energy: 0.4080587194197224
Energy: 0.3883827627366499
Energy: 0.4074609886327947
Energy: 0.40913935545807767
Energy: 0.4507155950902943
Energy: 0.4503101517502685
Energy: 0.4078130650113469
Energy: 0.4508600879269238
Energy: 0.38816682595717855
Energy: 0.40910955161097645
Energy: 0.40778939470703474
Energy: 0.44766603098429836
Energy: 0.44978196219560956
Energy: 0.40848070515344775
Energy: 0.38925299366339977
Energy: 0.5449078604879956
Energy: 0.40913373457889307
Energy: 0.40917062685497135
Energy: 0.38856082240913303
Energy: 0.4090623910987225
Energy: 0.40910636184972177
Energy: 0.5532325970731772
Energy: 0.4106402259429055
Energy: 0.4101973389476406
Energy: 0.4093970418901346
Energy: 0.4104303311405264
Energy: 0.4097177555391646
Energy: 0.41211507711603995
Energy: 0.40994087341457575
Energy: 0.4081598871080636
Energy: 0.4122879068140214
Energy: 0.41351166739235934
Energy: 0.4625015964679974
Energy: 0.5317659077981549
Energy: 0.40809338484701085
Energy: 0.4073838492812563
Energy: 0.46533335688766003
Energy: 0.4075024584295651
Energy: 0.40786103656519557
Energy: 0.40773793445375645
Energy: 0.413060731875977
Energy: 0.48906302655026546
Energy: 0.4129066787876381
Energy: 0.4128395533173145
Energy: 0.4627018978710974
Energy: 0.6477262927573348
Energy: 0.48499837123623973
Energy: 0.4439864135729155
Energy: 0.4419298621687824
Energy: 0.48225228094613637
Energy: 0.44417285879147667

minimum gb energy = 0.37073444037406805 eV
minimum distance =  2.67046978144915 Angstroms
sigma value = 17


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

Energy: 0.5511189004550753
Energy: 0.5153826881624675
Energy: 0.5136526647346958
Energy: 0.513176527336339
Energy: 0.44948072929656674
Energy: 0.4150571067325684
Energy: 0.5634455329928137
Energy: 0.44204117289393996
Energy: 0.4083988429391529
Energy: 0.4426732494893905
Energy: 0.44280126091205924
Energy: 0.40796237081669384
Energy: 0.4433687470594449
Energy: 0.38966558764264236
Energy: 0.3895253817074813
Energy: 0.4429205153641685
Energy: 0.38946453723151475
Energy: 0.3895722179298298
Energy: 0.4450409324247168
Energy: 0.38922299498227053
Energy: 0.38934060381899355
Energy: 0.44216224290411327
Energy: 0.47758368761591496
Energy: 0.44191198528624387
Energy: 0.3807489160572461
Energy: 0.37595213752370593
Energy: 0.4372201260899986
Energy: 0.3813621930528181
Energy: 0.37630115342832177
Energy: 0.40818065528859254
Energy: 0.3891603114257081
Energy: 0.3748980438731547
Energy: 0.3752463678794371
Energy: 0.3589039274714761
Energy: 0.3746443185257923
Energy: 0.35879101387373075
Energy: 0.3809293471171961
Energy: 0.37427893436480586
Energy: 0.3744305137789712
Energy: 0.38115143474283686
Energy: 0.3757266590242814
Energy: 0.37501622496750187
Energy: 0.3752588062951088
Energy: 0.39006560825445113
Energy: 0.48011124586657933
Energy: 0.37704404421381754
Energy: 0.42940535662621265
Energy: 0.47960046047661287
Energy: 0.3754370755076804
Energy: 0.37472564471729203
Energy: 0.37462778430533195
Energy: 0.37648043019308725
Energy: 0.42714897723631867
Energy: 0.37458448542933065
Energy: 0.3746596080522693
Energy: 0.37648429981664855
Energy: 0.375222179419134
Energy: 0.3746294062435467
Energy: 0.3747656792889878
Energy: 0.37513543245569075
Energy: 0.4643043696262771
Energy: 0.4081246716742875
Energy: 0.40753947571889404
Energy: 0.4905153665761753
Energy: 0.45079195567413943
Energy: 0.3759640206752777
Energy: 0.44665517103243124
Energy: 0.44197193040261096
Energy: 0.442057060472918
Energy: 0.4050162478434249
Energy: 0.44216164828596405
Energy: 0.44205915473329827
Energy: 0.4652416113879869
Energy: 0.44300453078742097
Energy: 0.44315222821803973
Energy: 0.4052688396589668
Energy: 0.4430020869022339
Energy: 0.4431968968084935
Energy: 0.4638376113943193
Energy: 0.44204059847211086
Energy: 0.4420855553691184
Energy: 0.4423423188927836
Energy: 0.4421428524728535
Energy: 0.4072876844726098
Energy: 0.4478058863406148
Energy: 0.44288689289582284
Energy: 0.4643373046740934
Energy: 0.5741947756419267
Energy: 0.44168865629058335
Energy: 0.46303483347216173
Energy: 0.603609261645792
Energy: 0.4425571843255661
Energy: 0.42839494739872264
Energy: 0.4426256950912551
Energy: 0.49441792423438174
Energy: 0.4418569762596502
Energy: 0.5148263874908938
Energy: 0.4424307683363493
Energy: 0.4950774170039211
Energy: 0.45806676026037674
Energy: 0.44229640484016347
Energy: 0.49437138584944373

minimum gb energy = 0.35879101387373075 eV
minimum distance =  2.65128880561716 Angstroms
sigma value = 17


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

Energy: 0.5231461799442728
Energy: 0.5201350835833884
Energy: 0.42921636322919055
Energy: 0.5189587789387736
Energy: 0.46225714713005345
Energy: 0.5178970534231858
Energy: 0.5320068934044
Energy: 0.45720987880810204
Energy: 0.4202406521213845
Energy: 0.4347959507970309
Energy: 0.4555376955442141
Energy: 0.4192800208886876
Energy: 0.5673871210921841
Energy: 0.3588147966333073
Energy: 0.40551825970017163
Energy: 0.45650615350372176
Energy: 0.3587483964292674
Energy: 0.4054271194538798
Energy: 0.45916223558679875
Energy: 0.40480696590263227
Energy: 0.4056295379495764
Energy: 0.4585300721090948
Energy: 0.48680690949187405
Energy: 0.4056121682167767
Energy: 0.4513360179065341
Energy: 0.383667611811489
Energy: 0.38306999423434046
Energy: 0.4521538906747741
Energy: 0.3847230820561828
Energy: 0.3846466166907263
Energy: 0.470534875223616
Energy: 0.3827309328074679
Energy: 0.35956962458696473
Energy: 0.3592274886889645
Energy: 0.38265345032343384
Energy: 0.35939592029979417
Energy: 0.4764722767089377
Energy: 0.3854151771700906
Energy: 0.38259350583938473
Energy: 0.3533313312251311
Energy: 0.38385912208192907
Energy: 0.3755886869303005
Energy: 0.35255530492958986
Energy: 0.3459508579026986
Energy: 0.3531566835806849
Energy: 0.3552789664301744
Energy: 0.3460309396295169
Energy: 0.3533592830184663
Energy: 0.3535135224005886
Energy: 0.3526856566848045
Energy: 0.35299223837862004
Energy: 0.35426688086705616
Energy: 0.36076313301660173
Energy: 0.3530978388408511
Energy: 0.3535354143194821
Energy: 0.3635510248295143
Energy: 0.3629469397722149
Energy: 0.35280128096626506
Energy: 0.3687232248228349
Energy: 0.3551167976700216
Energy: 0.42002859872812426
Energy: 0.3524956972419565
Energy: 0.35238849647671905
Energy: 0.35412397062906875
Energy: 0.35297061921503053
Energy: 0.35305189817360644
Energy: 0.45268994840443283
Energy: 0.3529490517485859
Energy: 0.3530227476819626
Energy: 0.45370157753223606
Energy: 0.35594219986604997
Energy: 0.35304921773264686
Energy: 0.42133335500487107
Energy: 0.3544137040768502
Energy: 0.3533009696409337
Energy: 0.37264882978609276
Energy: 0.3538728187268303
Energy: 0.3532781136499522
Energy: 0.3832322375080363
Energy: 0.3598782726974725
Energy: 0.3836960143945464
Energy: 0.3841122884894545
Energy: 0.3533853774808662
Energy: 0.3821778976361041
Energy: 0.3829399753353651
Energy: 0.462736552477081
Energy: 0.4638335372431792
Energy: 0.3827383646909065
Energy: 0.4628829208763653
Energy: 0.3834830279989977
Energy: 0.4648174401471459
Energy: 0.4202139496723539
Energy: 0.38228810420390946
Energy: 0.4406547437434418
Energy: 0.45253244353384536
Energy: 0.38471787868865986
Energy: 0.47578660512224613
Energy: 0.4558331927118781
Energy: 0.4562613044883653
Energy: 0.4770793341268265
Energy: 0.4561628190356603
Energy: 0.3825144440036475
Energy: 0.47577468252485633
Energy: 0.4560253745192117
Energy: 0.4569209680122035
Energy: 0.45225449268373624
Energy: 0.45664544714830857
Energy: 0.38214322552773966
Energy: 0.46246116149942296
Energy: 0.4337063041121132
Energy: 0.420492204978268
Energy: 0.3900410005101038
Energy: 0.4515777946117087
Energy: 0.41999081359052365
Energy: 0.5631699536944597
Energy: 0.3949021808568329
Energy: 0.38328362334076604
Energy: 0.46453249687102804
Energy: 0.3953193154621437
Energy: 0.5170816165257961
Energy: 0.5718298170488268
Energy: 0.45542430677630746
Energy: 0.45428231193790314
Energy: 0.4560605083762154
Energy: 0.4578164268013503
Energy: 0.4193151346319892
Energy: 0.51844202544632
Energy: 0.4563856408555422
Energy: 0.5056373054121681
Energy: 0.4045218938048122
Energy: 0.45639602932589435
Energy: 0.40634309888023307
Energy: 0.48535103180361516
Energy: 0.45538247624738104
Energy: 0.4552406476670847
Energy: 0.48621300451602817
Energy: 0.459628133559515
Energy: 0.5027477244843525
Energy: 0.5723444821956835
Energy: 0.39925914106024185
Energy: 0.42143863320860336
Energy: 0.45709884460723893
Energy: 0.48862403779746716
Energy: 0.45435886560652594
Energy: 0.45655879773477726
Energy: 0.3594777552462174
Energy: 0.4060614162433036
Energy: 0.4562822014635152
Energy: 0.35920822249031853
Energy: 0.406064070939007
Energy: 0.3918085712561736
Energy: 0.38436192129989155
Energy: 0.3848703798732946
Energy: 0.39190558144787807
Energy: 0.3840023839088149
Energy: 0.4190094895458177
Energy: 0.46960845169344756
Energy: 0.382841708413384
Energy: 0.3825335524199457
Energy: 0.3596608455004852
Energy: 0.4078678458180024
Energy: 0.35880137306952103
Energy: 0.46944604076869495
Energy: 0.3828531702391129
Energy: 0.3829347538288138
Energy: 0.46999480815093486
Energy: 0.3844843943217952
Energy: 0.382558064301986
Energy: 0.3530823637743658
Energy: 0.3741002786992142
Energy: 0.3759910343512148
Energy: 0.35473401265638943
Energy: 0.3607873568567714
Energy: 0.35467591551118643
Energy: 0.35306822344513233
Energy: 0.34567439031767894
Energy: 0.35291695290838226
Energy: 0.3530675942450642
Energy: 0.3458815269549455
Energy: 0.3526133396640662
Energy: 0.35530003973625535
Energy: 0.3534253941353927
Energy: 0.35459339852335414
Energy: 0.35594065189258156
Energy: 0.36236202909597937
Energy: 0.35280377742207286
Energy: 0.35319331123617226
Energy: 0.3530851375281
Energy: 0.3527932198775049
Energy: 0.355135090004801
Energy: 0.3531179876495838
Energy: 0.3540338375827235
Energy: 0.4540273805387704
Energy: 0.3531020662292691
Energy: 0.3529783832256771
Energy: 0.4548918182469583
Energy: 0.354027958544943
Energy: 0.352795226243985
Energy: 0.3831629613934827
Energy: 0.3531002101162551
Energy: 0.4649827775706212
Energy: 0.4646993001939082
Energy: 0.3526277391998341
Energy: 0.4657442510870481
Energy: 0.3855681852438281
Energy: 0.37511800018521685
Energy: 0.3739279605487791
Energy: 0.38632479943642495
Energy: 0.4025353193882462
Energy: 0.373192091082327
Energy: 0.38254709110229845
Energy: 0.35236885891688224
Energy: 0.38259473676857714
Energy: 0.3824799557399294
Energy: 0.3521047136066457
Energy: 0.3824529585337066
Energy: 0.3826202895838819
Energy: 0.3826401232933025
Energy: 0.3827237125272786
Energy: 0.3829626559225315
Energy: 0.4192769552178463
Energy: 0.38263682776692437
Energy: 0.47903800427555104
Energy: 0.4574612894720303
Energy: 0.4543669616588722
Energy: 0.48717221447438935
Energy: 0.4560000799350062
Energy: 0.42068702210871406
Energy: 0.49453755725018667
Energy: 0.45723947215070493
Energy: 0.385099035294524
Energy: 0.3825592638549024
Energy: 0.45825901207560393
Energy: 0.3841512807153826
Energy: 0.44715154495347903
Energy: 0.4558249885023937
Energy: 0.45434466191790196
Energy: 0.39036486633660517
Energy: 0.4553491305779314
Energy: 0.4186260257545444
Energy: 0.4765629775617897
Energy: 0.3826589476432555
Energy: 0.45617329016124136
Energy: 0.45638042114154775
Energy: 0.3831239553209159
Energy: 0.45598134455634737
Energy: 0.5718776975427053
Energy: 0.419497185560049
Energy: 0.42102534267283875
Energy: 0.4581495771827825
Energy: 0.4518122716673446
Energy: 0.4543178650410169
Energy: 0.4862713875244667
Energy: 0.4555867822071693
Energy: 0.4556812803931777
Energy: 0.4868202500104057
Energy: 0.45894480239654645
Energy: 0.46966140464557016

minimum gb energy = 0.34567439031767894 eV
minimum distance =  2.63682869168431 Angstroms
sigma value = 57


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

Energy: 0.46043925577806827
Energy: 0.4812946199667161
Energy: 0.4335141817232428
Energy: 0.4618934154175736
Energy: 0.5878233019864282
Energy: 0.5212056913508513
Energy: 0.518913650001129
Energy: 0.3910280131451036
Energy: 0.44036832999646813
Energy: 0.43855298500722545
Energy: 0.3889846163291785
Energy: 0.4219766266175645
Energy: 0.5518289430437693
Energy: 0.3637638449180863
Energy: 0.36366391984145807
Energy: 0.45934357447746027
Energy: 0.36311696865035864
Energy: 0.41337543768538904
Energy: 0.4017298098525196
Energy: 0.3629161561192359
Energy: 0.4125830991903808
Energy: 0.3917102951567485
Energy: 0.41411356220833623
Energy: 0.4128173192279534
Energy: 0.39222964197912463
Energy: 0.3919934045252858
Energy: 0.388412935170586
Energy: 0.429914713853666
Energy: 0.38990732235355313
Energy: 0.38772295986141353
Energy: 0.41706177178186254
Energy: 0.38846233407398095
Energy: 0.3658556853879983
Energy: 0.3410745984742666
Energy: 0.3880910673071829
Energy: 0.3652927354497747
Energy: 0.45883616764751206
Energy: 0.3926400399265911
Energy: 0.3940231141170658
Energy: 0.4016667080957912
Energy: 0.3899167897767836
Energy: 0.3750307548290102
Energy: 0.35145155510431064
Energy: 0.3400645084383427
Energy: 0.3405539438661111
Energy: 0.3542108819210909
Energy: 0.34049004245504183
Energy: 0.35260194478700485
Energy: 0.3544284680979355
Energy: 0.3516213661854761
Energy: 0.35192841665314695
Energy: 0.3550433103690132
Energy: 0.4045609249369441
Energy: 0.3520819739692489
Energy: 0.3812815023256927
Energy: 0.3391430701690957
Energy: 0.38132672665051254
Energy: 0.35217204936549446
Energy: 0.34021642875477753
Energy: 0.35465766708461705
Energy: 0.39458151867080227
Energy: 0.3364954348936944
Energy: 0.3366592067132061
Energy: 0.3330646360609544
Energy: 0.3365878700528454
Energy: 0.3367418567980643
Energy: 0.42750909069431975
Energy: 0.34136552351951943
Energy: 0.33654608975525085
Energy: 0.425309509988638
Energy: 0.34061961650640193
Energy: 0.3365254261138221
Energy: 0.336049600051605
Energy: 0.36623408264989665
Energy: 0.3513872202551248
Energy: 0.33669697946877103
Energy: 0.35174956442424266
Energy: 0.33896289332707136
Energy: 0.336734699768187
Energy: 0.33660496024291037
Energy: 0.33632923558191113
Energy: 0.33787709994241977
Energy: 0.4216347642105062
Energy: 0.33639349059538015
Energy: 0.3367694552927818
Energy: 0.4403044893253898
Energy: 0.4395924257839626
Energy: 0.33636704884781404
Energy: 0.4358331984766315
Energy: 0.43632990147208733
Energy: 0.47435543427348253
Energy: 0.35940251079153546
Energy: 0.3516518815041277
Energy: 0.35886796805285964
Energy: 0.35787845743597857
Energy: 0.42335549999387495
Energy: 0.4143334090024133
Energy: 0.3516845596143699
Energy: 0.35195741288679666
Energy: 0.40029162399369284
Energy: 0.3582209204839895
Energy: 0.35230601260509603
Energy: 0.43179005915179025
Energy: 0.3584624269251736
Energy: 0.35224494412699614
Energy: 0.38662465266565105
Energy: 0.3572162077742323
Energy: 0.3521767709163196
Energy: 0.38762599125454933
Energy: 0.3615477429546116
Energy: 0.3767498447455723
Energy: 0.3886267846767141
Energy: 0.45585395523531713
Energy: 0.3872204196866982
Energy: 0.38791193294226456
Energy: 0.3530338494229007
Energy: 0.458189077930866
Energy: 0.38764621467778715
Energy: 0.35296741035207374
Energy: 0.388491377828076
Energy: 0.5026170199662786
Energy: 0.3938276487475491
Energy: 0.4452212489445571
Energy: 0.38865251017797986
Energy: 0.44363659898968727
Energy: 0.3895204851953255
Energy: 0.44283631231728
Energy: 0.462660963527144
Energy: 0.38846172265521434
Energy: 0.3520629774948023
Energy: 0.4612030598550481
Energy: 0.38863979449396896
Energy: 0.4496466207091517
Energy: 0.45941792174814483
Energy: 0.4558802633779936
Energy: 0.45075931239919265
Energy: 0.45858315506235464
Energy: 0.4538032532457735
Energy: 0.4601449705836515
Energy: 0.38824288341552976
Energy: 0.42392422293831966
Energy: 0.4470987239427845
Energy: 0.4426379050549321
Energy: 0.44219485933029773
Energy: 0.5524651189456686
Energy: 0.38888363702066703
Energy: 0.3897117313901872
Energy: 0.4558986829133804
Energy: 0.3886870480503367
Energy: 0.44634804584154925
Energy: 0.5405726248325388
Energy: 0.4367170259719829
Energy: 0.43703426811452245
Energy: 0.4570424263384715
Energy: 0.45208014135025004
Energy: 0.421399411647472
Energy: 0.4587377214866343
Energy: 0.4563253216270225
Energy: 0.4122187954243432
Energy: 0.3651685594734996
Energy: 0.45593802064048244
Energy: 0.41327148746689557

minimum gb energy = 0.3330646360609544 eV
minimum distance =  2.64322468292921 Angstroms
sigma value = 43


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

Energy: 0.3881167313387932
Energy: 0.45012455411723046
Energy: 0.4135126843112851
Energy: 0.3495389171194474
Energy: 0.4215367176548591
Energy: 0.4383480551366417
Energy: 0.45948693275694547
Energy: 0.37071542260934104
Energy: 0.3727926882424724
Energy: 0.4158581129777542
Energy: 0.37007017893190364
Energy: 0.4101515876833351
Energy: 0.49758642482742754
Energy: 0.3234584138302552
Energy: 0.34888256680512486
Energy: 0.4179351876013067
Energy: 0.3234635584920093
Energy: 0.3488338020471277
Energy: 0.38092498810875963
Energy: 0.3481797206272085
Energy: 0.34903001219781127
Energy: 0.37132882916189547
Energy: 0.3649571029302446
Energy: 0.3895532651284633
Energy: 0.388750395613755
Energy: 0.3690954782862686
Energy: 0.3693281444672285
Energy: 0.38874633431364825
Energy: 0.3708526491743257
Energy: 0.3696939607102466
Energy: 0.3799222476970513
Energy: 0.3696287296400852
Energy: 0.34913491092004
Energy: 0.3660425795285065
Energy: 0.36928545041399263
Energy: 0.32363022782290046
Energy: 0.4029007540987509
Energy: 0.3691753137470685
Energy: 0.3700498124443032
Energy: 0.38182283226731933
Energy: 0.3712272694107893
Energy: 0.37825412058510316
Energy: 0.44074742025866104
Energy: 0.30781485770369
Energy: 0.3234511793042209
Energy: 0.33667818039425845
Energy: 0.3078335637850202
Energy: 0.32350471526031105
Energy: 0.33835723201896906
Energy: 0.32350545518260465
Energy: 0.3361414339773848
Energy: 0.33908318581554436
Energy: 0.3730353574329739
Energy: 0.3360879251040647
Energy: 0.3594646678493905
Energy: 0.3169563940889585
Energy: 0.31640477574781245
Energy: 0.3596790506444977
Energy: 0.31825339544483333
Energy: 0.3160578714884224
Energy: 0.37877770519335396
Energy: 0.3158992519052859
Energy: 0.31593602897034556
Energy: 0.29953843344038783
Energy: 0.3158082303151779
Energy: 0.30803659349641827
Energy: 0.3922442496911486
Energy: 0.3159090335997485
Energy: 0.31593082989062576
Energy: 0.41761797194747374
Energy: 0.3159823237181846
Energy: 0.35013088745172566
Energy: 0.30404877110495504
Energy: 0.3015693156749886
Energy: 0.3058732259388919
Energy: 0.31925504709769215
Energy: 0.30017824132425913
Energy: 0.3045124961537675
Energy: 0.30459952709436156
Energy: 0.30438087055913754
Energy: 0.30370636376907584
Energy: 0.30543858787538625
Energy: 0.3638562610361123
Energy: 0.3037189552634256
Energy: 0.3340654692620611
Energy: 0.2992928397095144
Energy: 0.30013608605745673
Energy: 0.30423139911836633
Energy: 0.2991383787099957
Energy: 0.30069049905954254
Energy: 0.3658208934692767
Energy: 0.2983660192619015
Energy: 0.29845797178504396
Energy: 0.3383702096916353
Energy: 0.2984345308868685
Energy: 0.2998355475054372
Energy: 0.3706808806541206
Energy: 0.29844863774917985
Energy: 0.2983078110691601
Energy: 0.36390790812072127
Energy: 0.29844264284330907
Energy: 0.2993000721508639
Energy: 0.2985246919281659
Energy: 0.29918177488926484
Energy: 0.29891250854829676
Energy: 0.2984205208505402
Energy: 0.30010215367795745
Energy: 0.2989977642408699
Energy: 0.29861782553822
Energy: 0.3429234491756852
Energy: 0.2982262465378737
Energy: 0.2995402689141685
Energy: 0.3609514922745339
Energy: 0.29849081303171765
Energy: 0.29840604099998275
Energy: 0.3652483134761977
Energy: 0.3318959282138154
Energy: 0.29847310915544845
Energy: 0.3041402225480314
Energy: 0.36728035395004827
Energy: 0.3832871633029715
Energy: 0.3039666120478469
Energy: 0.3038937654590967
Energy: 0.36939431233026
Energy: 0.3040138376907633
Energy: 0.30547128535274504
Energy: 0.37308965383472587
Energy: 0.303914122945926
Energy: 0.30393290171542203
Energy: 0.34765485062649976
Energy: 0.3038621089458608
Energy: 0.30431359831282384
Energy: 0.364345943105829
Energy: 0.304169787096211
Energy: 0.3040627155592007
Energy: 0.31577885161863173
Energy: 0.30509573773685195
Energy: 0.3043538577816717
Energy: 0.3163437502108682
Energy: 0.35054972601522977
Energy: 0.315608289362998
Energy: 0.31718172181762755
Energy: 0.36901984768616136
Energy: 0.31558470937226357
Energy: 0.3159537395450286
Energy: 0.3047357170972304
Energy: 0.3162923450524866
Energy: 0.37006476083879336
Energy: 0.30523258245468315
Energy: 0.31603236470297674
Energy: 0.38097780236627815
Energy: 0.3360679263128234
Energy: 0.33609785565262
Energy: 0.360434940963184
Energy: 0.3362655712579009
Energy: 0.3935100175811255
Energy: 0.37936596573393994
Energy: 0.33641100254097295
Energy: 0.33642318702357266
Energy: 0.3044226340477837
Energy: 0.3362687131901751
Energy: 0.3156293650665886
Energy: 0.36690558103462373
Energy: 0.33614610601118716
Energy: 0.3362580173419161
Energy: 0.3810921434034099
Energy: 0.3387305996115695
Energy: 0.3365313762868202
Energy: 0.37170477412874275
Energy: 0.33540984224710363
Energy: 0.36916738565162427
Energy: 0.37005601988740067
Energy: 0.38098343333090556
Energy: 0.3694565690550382
Energy: 0.4248900680542381
Energy: 0.31574585065645494
Energy: 0.3360873994001328
Energy: 0.36939613216471406
Energy: 0.31568502271405435
Energy: 0.3360721169542371
Energy: 0.45913628200768375
Energy: 0.37087673246889347
Energy: 0.3691959097745809
Energy: 0.37263358068994007
Energy: 0.37055294196176114
Energy: 0.38734727557946846
Energy: 0.38287602541820515
Energy: 0.4198851375405072
Energy: 0.36874145196713987
Energy: 0.37533043742687194
Energy: 0.41926458378023695
Energy: 0.33619258836665256
Energy: 0.40234771388553897
Energy: 0.4213652882786187
Energy: 0.4216133307333717
Energy: 0.4023704310812664
Energy: 0.4254059700745176
Energy: 0.4309983373301742
Energy: 0.4275078269122788
Energy: 0.3687056193977494
Energy: 0.3692064126231874
Energy: 0.37149271969106445
Energy: 0.37810610086405316
Energy: 0.4201698978136639
Energy: 0.49750048928483714
Energy: 0.3365436043779815
Energy: 0.3708883022738467
Energy: 0.4174532310890486
Energy: 0.3363456845787537
Energy: 0.3702568635473281
Energy: 0.44994522057146513
Energy: 0.40692498955494694
Energy: 0.42655891679894925
Energy: 0.41530632929749806
Energy: 0.4224623815567515
Energy: 0.4053898000274773

minimum gb energy = 0.2982262465378737 eV
minimum distance =  2.63324399248452 Angstroms
sigma value = 81


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

Energy: 0.19225222134170306
Energy: 0.24032859486383298
Energy: 0.08374098573469106
Energy: 0.08475822781851294
Energy: 0.2934908290340881
Energy: 0.19231322389117544
Energy: 0.20475066368094194
Energy: 0.32112459910107316
Energy: 0.29324324713870964
Energy: 0.3119982314082276
Energy: 0.2928013814882237
Energy: 0.28327838325136195
Energy: 0.2940443359357337
Energy: 0.08344375065454879
Energy: 0.08396130121323829
Energy: 0.30738891622183556
Energy: 0.08333994303111886
Energy: 0.08379061683825718
Energy: 0.29596349721732723
Energy: 0.08352919624852098
Energy: 0.08458781329031083
Energy: 0.30019536250136436
Energy: 0.08342242046432963
Energy: 0.10647849458406743
Energy: 0.10662706075240234
Energy: 0.3114677571468831
Energy: 0.31224203835917436
Energy: 0.10600458800641131
Energy: 0.2999286776327122
Energy: 0.3121029812238718
Energy: 0.08371171774926785
Energy: 0.29975294615018855
Energy: 0.0837260606916084
Energy: 0.08520877809316868
Energy: 0.30001573750159477
Energy: 0.08348797627742426
Energy: 0.3203003897170317
Energy: 0.30082523805812383
Energy: 0.3001524820262704
Energy: 0.313518807333185
Energy: 0.3010469206192654
Energy: 0.30068846081635275
Energy: 0.2955435291547766
Energy: 0.08346525026569997
Energy: 0.08358828648321526
Energy: 0.31127493661661637
Energy: 0.0833479298979313
Energy: 0.08386172526322849
Energy: 0.2939550622148008
Energy: 0.08367098387124633
Energy: 0.08389319486766988
Energy: 0.2965620081221836
Energy: 0.08355370761253932
Energy: 0.10630653423434157
Energy: 0.22301042235746388
Energy: 0.3572285662816722
Energy: 0.32757541588822714
Energy: 0.08431650573223845
Energy: 0.3253497932561947
Energy: 0.35586011910110615

minimum gb energy = 0.08333994303111886 eV
minimum distance =  2.64980079862827 Angstroms
sigma value = 3


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

Energy: 0.45486584607009534
Energy: 0.4544919699998905
Energy: 0.4221293232882458
Energy: 0.36523765918501966
Energy: 0.4455183023197819
Energy: 0.3722255428927466
Energy: 0.4471278408960359
Energy: 0.4228474414975597
Energy: 0.4229227456160647
Energy: 0.4335934373700963
Energy: 0.38736186916451043
Energy: 0.4284856990948871
Energy: 0.44344014239244467
Energy: 0.3855815393012088
Energy: 0.3882488699260211
Energy: 0.42851936431355403
Energy: 0.3949004310113476
Energy: 0.45037805782620416
Energy: 0.39376112652938405
Energy: 0.3938883152402885
Energy: 0.3879684429147147
Energy: 0.3947683405551261
Energy: 0.3935663957963022
Energy: 0.4336256007589625
Energy: 0.3451344746928187
Energy: 0.4375429404146493
Energy: 0.43661580192461646
Energy: 0.34513124015066415
Energy: 0.3877452747498309
Energy: 0.4362111462129002
Energy: 0.40571527487482606
Energy: 0.43984766795660585
Energy: 0.4015778576943753
Energy: 0.3556819127232217
Energy: 0.38465802691405837
Energy: 0.36522862256367045
Energy: 0.42666520164677296
Energy: 0.3465893951625467
Energy: 0.3466563620555879
Energy: 0.396556113886694
Energy: 0.3466350329934671
Energy: 0.39691193364916905
Energy: 0.39521617814933885
Energy: 0.3544704874323551
Energy: 0.3546383955931421
Energy: 0.3960906040823214
Energy: 0.33636194204780406
Energy: 0.36851266711549396
Energy: 0.4218373764368864
Energy: 0.36802336754365855
Energy: 0.4207046868720441
Energy: 0.42152501627334504
Energy: 0.3185577578367252
Energy: 0.4206261592483286
Energy: 0.319667121750666
Energy: 0.3473401928168934
Energy: 0.3471743052490494
Energy: 0.319704082300211
Energy: 0.3479702608751907
Energy: 0.372060934802779
Energy: 0.30371480573904974
Energy: 0.3803993462300375
Energy: 0.3967160958969102
Energy: 0.3368887299818919
Energy: 0.4078955877772095
Energy: 0.34936154120059804
Energy: 0.31966053515964227
Energy: 0.3894281453816954
Energy: 0.31973630005971676
Energy: 0.31964043585977814
Energy: 0.34031439842040195
Energy: 0.31993951151880257
Energy: 0.32220869442988337
Energy: 0.32878485285699577
Energy: 0.32252016694308094
Energy: 0.32213059250942583
Energy: 0.3287943117471909
Energy: 0.32221778581101657
Energy: 0.29574867709114566
Energy: 0.30288738386117564
Energy: 0.3034167171759138
Energy: 0.35607544886988607
Energy: 0.3028220821229224
Energy: 0.3698575998682151
Energy: 0.29658286676354306
Energy: 0.30297826110900883
Energy: 0.3029057968982268
Energy: 0.2973286228093502
Energy: 0.3063259707877607
Energy: 0.3028020580290336
Energy: 0.29725191777386983
Energy: 0.33775394328388164
Energy: 0.3376580483258437
Energy: 0.3292211303167265
Energy: 0.3537231358411847
Energy: 0.32940386760823953
Energy: 0.2988145672699787
Energy: 0.33777406245432173
Energy: 0.29723095097391533
Energy: 0.2995449948270032
Energy: 0.33748686664627553
Energy: 0.2951043319763893
Energy: 0.2965850294349258
Energy: 0.3293218174254064
Energy: 0.2971980132171435
Energy: 0.29659417335303767
Energy: 0.3321088002885285
Energy: 0.29702635933638294
Energy: 0.30467807854004847
Energy: 0.29714614916437426
Energy: 0.29714825046301685
Energy: 0.3314429858691373
Energy: 0.2968194869707866
Energy: 0.29732842746897314
Energy: 0.2969794591002063
Energy: 0.29469148216568447
Energy: 0.2946659044774927
Energy: 0.3906299829333626
Energy: 0.2988724042283769
Energy: 0.2946722967020939
Energy: 0.30546403435106156
Energy: 0.3294405616102515
Energy: 0.32932342869763537
Energy: 0.33756569124104796
Energy: 0.3448685171239645
Energy: 0.33768872402598704
Energy: 0.30559463694939476
Energy: 0.32926218401061763
Energy: 0.3320374588470762
Energy: 0.3064853241955773
Energy: 0.32940057421715957
Energy: 0.3033645984766754
Energy: 0.302802436770841
Energy: 0.30314887185471967
Energy: 0.30443914184109566
Energy: 0.3028396363836997
Energy: 0.35494393235997546
Energy: 0.30300534725283024
Energy: 0.33242348722394094
Energy: 0.32228233518697835
Energy: 0.3223222766785217
Energy: 0.3332483341089921
Energy: 0.32216736723204265
Energy: 0.32111963505262126
Energy: 0.30432534247445914
Energy: 0.3195525088758874
Energy: 0.31960057638587114
Energy: 0.3371830323390635
Energy: 0.31976347583055925
Energy: 0.31967550813878237
Energy: 0.3445696670032484
Energy: 0.34337490213156274
Energy: 0.3433366262208858
Energy: 0.38034041437305977
Energy: 0.3309456408273005
Energy: 0.33984402055661794
Energy: 0.3504677442067415
Energy: 0.34374222900737056
Energy: 0.3571177308549621
Energy: 0.35134988952731383
Energy: 0.35775372697004065
Energy: 0.3751557242121635
Energy: 0.3296196206383879
Energy: 0.4213548245822601
Energy: 0.42286988483549004
Energy: 0.3296596543795484
Energy: 0.41960680264664424
Energy: 0.4220116122616213
Energy: 0.30782683599432814
Energy: 0.39297785627409354
Energy: 0.39273479011259493
Energy: 0.3446602739374067
Energy: 0.39314765168762217
Energy: 0.35591389465160217
Energy: 0.34655652588394587
Energy: 0.3999737979260814
Energy: 0.39898914242076516
Energy: 0.34655533424612006
Energy: 0.4007120292295472
Energy: 0.3975092380749541
Energy: 0.34649823582403716
Energy: 0.3655528335474207
Energy: 0.365586491967609
Energy: 0.40397103059311723
Energy: 0.3424907186230451
Energy: 0.3854290370431183
Energy: 0.46895564845518706
Energy: 0.4014687969743387
Energy: 0.4316719907235554
Energy: 0.42557228569265476
Energy: 0.32857906533221565
Energy: 0.4360739942664133
Energy: 0.3607895051454289
Energy: 0.38615058049422946
Energy: 0.38613304676297755
Energy: 0.3607763489087065
Energy: 0.3878657898551819
Energy: 0.3995302724689698

minimum gb energy = 0.2946659044774927 eV
minimum distance =  2.65263190516966 Angstroms
sigma value = 67


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

Energy: 0.4981435069652017
Energy: 0.5120194509924246
Energy: 0.46187613238567793
Energy: 0.40317661156328427
Energy: 0.5575728209743612
Energy: 0.46196244097954053
Energy: 0.45103578026377766
Energy: 0.47815971218061154
Energy: 0.4745678096233854
Energy: 0.4220480071444598
Energy: 0.4760863967516474
Energy: 0.4694542571879774
Energy: 0.4915330415193956
Energy: 0.43462244214325746
Energy: 0.47970491287974326
Energy: 0.49252316099755117
Energy: 0.43597203429369646
Energy: 0.45623174243332376
Energy: 0.42393039931348997
Energy: 0.4917961032474936
Energy: 0.4880020948129496
Energy: 0.4246369645924811
Energy: 0.435850140583123
Energy: 0.48870691750611595
Energy: 0.42246970464419326
Energy: 0.49262550550006834
Energy: 0.4922945100286475
Energy: 0.422472605439817
Energy: 0.4755962954331405
Energy: 0.45563163156234526
Energy: 0.3507455337080695
Energy: 0.49208026781884945
Energy: 0.45348084218344625
Energy: 0.42309039902217677
Energy: 0.4859442312663851
Energy: 0.44048816522389533
Energy: 0.4217477139198986
Energy: 0.4381294394076122
Energy: 0.40699223548317387
Energy: 0.4222887223421374
Energy: 0.3781049051425415
Energy: 0.4067330030278949
Energy: 0.4244201563897165
Energy: 0.4002262056212422
Energy: 0.389557490846582
Energy: 0.4255326686918361
Energy: 0.39971782236053
Energy: 0.42316653862222664
Energy: 0.45072736940616576
Energy: 0.43596198936213326
Energy: 0.4301354212045528
Energy: 0.4623761459231975
Energy: 0.3727816354280124
Energy: 0.469514539478585
Energy: 0.3495055931211693
Energy: 0.3762311117831926
Energy: 0.37236758864606434
Energy: 0.34892700363517853
Energy: 0.37592435321820267
Energy: 0.37231092269645544
Energy: 0.3493273867394998
Energy: 0.41680151609257554
Energy: 0.3960707113323345
Energy: 0.39698835296233365
Energy: 0.372787099579957
Energy: 0.3949386838011893
Energy: 0.3507394061134104
Energy: 0.3897149283633816
Energy: 0.3488518040507108
Energy: 0.3514442283795479
Energy: 0.4172690619487423
Energy: 0.34897005512978924
Energy: 0.3501724465583594
Energy: 0.39837539638223507
Energy: 0.34809335243020323
Energy: 0.35088612736350977
Energy: 0.39576334785564565
Energy: 0.3483199317600146
Energy: 0.36523397445254213
Energy: 0.3498180758658205
Energy: 0.3810327248241673
Energy: 0.39536183432899513
Energy: 0.348421041843293
Energy: 0.39466495668668755
Energy: 0.3990728935769186
Energy: 0.3530239841614354
Energy: 0.34925679384864877
Energy: 0.37365819758540253
Energy: 0.3532092469964498
Energy: 0.3494192214755823
Energy: 0.3721157683287836
Energy: 0.41168986393634954
Energy: 0.3953013843971759
Energy: 0.4184134608385084
Energy: 0.38757586416276196
Energy: 0.44313697480898356
Energy: 0.3733679476494382
Energy: 0.39391462718642706
Energy: 0.3827416376059427
Energy: 0.37444386931442697
Energy: 0.3914266028742923
Energy: 0.37208690038764514
Energy: 0.3736990991316416
Energy: 0.42458802000448875
Energy: 0.3735941037598953
Energy: 0.3736262328007092
Energy: 0.4581733172432774
Energy: 0.3727548342372546
Energy: 0.3447428961740934
Energy: 0.4241488910632464
Energy: 0.39732029626797677
Energy: 0.40296913344451196
Energy: 0.42419528685555097
Energy: 0.4077529775312785
Energy: 0.3739564231625244
Energy: 0.4401671812162446
Energy: 0.43997612861511526
Energy: 0.3737268497371694
Energy: 0.4240098152734456
Energy: 0.4384648890955717
Energy: 0.4419755625190129
Energy: 0.4561013062357088
Energy: 0.44809484231638064
Energy: 0.4392154767288114
Energy: 0.4181545007404207
Energy: 0.44284745633284867
Energy: 0.49144424512296586
Energy: 0.4102895159671781
Energy: 0.4420622753487772
Energy: 0.4928785388869613
Energy: 0.4196558234600029
Energy: 0.41723114085281476
Energy: 0.45105406693275907
Energy: 0.4252282412914372
Energy: 0.42218209805877555
Energy: 0.47037761952100116
Energy: 0.4240334185156865
Energy: 0.4221555804732096

minimum gb energy = 0.3447428961740934 eV
minimum distance =  2.65494233761534 Angstroms
sigma value = 33


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

Energy: 0.4880783706243263
Energy: 0.518628591363628
Energy: 0.4776288718175742
Energy: 0.4612648074977256
Energy: 0.5011207844660116
Energy: 0.4899402836387039
Energy: 0.5044441708023579
Energy: 0.5212817797780748
Energy: 0.5092227450226338
Energy: 0.4834768936160591
Energy: 0.5101912025585106
Energy: 0.5133313541762572
Energy: 0.5208756499277565
Energy: 0.5068821557020601
Energy: 0.5067451291188511
Energy: 0.4893826460096362
Energy: 0.5331568408501279
Energy: 0.5185797348022827
Energy: 0.5043910384961279
Energy: 0.5324336030487292
Energy: 0.5117991481730646
Energy: 0.5237482587670633
Energy: 0.5341768344683835
Energy: 0.5139060622973202
Energy: 0.45734115910497053
Energy: 0.5211210925525572
Energy: 0.5340986049076281
Energy: 0.4580236505327823
Energy: 0.5228226174446726
Energy: 0.488616554611674
Energy: 0.5340762832826226
Energy: 0.5319981623126591
Energy: 0.5192963903158422
Energy: 0.4514994488745342
Energy: 0.5333117363886108
Energy: 0.4468210853583727
Energy: 0.4562099272990207
Energy: 0.4601541094150257
Energy: 0.4429064495532501
Energy: 0.45832034405718997
Energy: 0.4485771035622967
Energy: 0.457084785987694
Energy: 0.454782294460703
Energy: 0.4749705712042621
Energy: 0.4754471916508847
Energy: 0.45658150347385174
Energy: 0.4747680366652123
Energy: 0.4533706513465568
Energy: 0.4785266789265111
Energy: 0.4722808763333339
Energy: 0.4813595910740396
Energy: 0.5043573158554522
Energy: 0.4310100434844119
Energy: 0.45345136260284413
Energy: 0.49521402400320597
Energy: 0.4078809694544253
Energy: 0.40762035547649894
Energy: 0.45528259854511044
Energy: 0.41053959482212576
Energy: 0.4076499599925494
Energy: 0.4085284285885026
Energy: 0.4088102333182904
Energy: 0.48861792225618433
Energy: 0.46727509821596686
Energy: 0.40774413213689165
Energy: 0.46523467546438
Energy: 0.40964923375781714
Energy: 0.42022682105225223
Energy: 0.40768383600375474
Energy: 0.41035174447818
Energy: 0.45838929422958097
Energy: 0.40756150592505264
Energy: 0.4085991944441239
Energy: 0.4211357750066122
Energy: 0.41001096638232976
Energy: 0.40925203345338207
Energy: 0.4935338391860251
Energy: 0.4093152900256517
Energy: 0.4156676839125911
Energy: 0.4771428104305658
Energy: 0.4831988945138727
Energy: 0.43731151917378575
Energy: 0.4599686530417504
Energy: 0.4505070435945721
Energy: 0.44792215112790684
Energy: 0.46111324998835085
Energy: 0.4608692178154166
Energy: 0.42727213696024763
Energy: 0.4643801516422822
Energy: 0.46106739967616495
Energy: 0.5162678687789929
Energy: 0.4915345904841786
Energy: 0.4752851752168394
Energy: 0.5090047113989459
Energy: 0.46366100731251303
Energy: 0.4776157558781815
Energy: 0.5111659976794802
Energy: 0.46902940464882886
Energy: 0.4663169293462124
Energy: 0.5113857195468946
Energy: 0.4674361867522498
Energy: 0.48060902606236894
Energy: 0.5298848405276165
Energy: 0.5241833411984979
Energy: 0.5147730454157778
Energy: 0.5293241783235171
Energy: 0.46151624794134755
Energy: 0.509240720809003
Energy: 0.5350691002587786
Energy: 0.5420464784454486
Energy: 0.5617262197432894
Energy: 0.45932422171795456
Energy: 0.49127643277231153
Energy: 0.48279589536382533
Energy: 0.4672353064560088
Energy: 0.5318657078511729
Energy: 0.5318038976301145
Energy: 0.46682884294362215
Energy: 0.5295158930945583
Energy: 0.5053276404175598
Energy: 0.5112074511370256
Energy: 0.5130201720500341
Energy: 0.5116322695261476
Energy: 0.5104974422518923
Energy: 0.5339782432189643
Energy: 0.5189948492782877
Energy: 0.4658215822193943
Energy: 0.5101211266952962
Energy: 0.506650009976077
Energy: 0.46621615289362983
Energy: 0.532595576257749
Energy: 0.5133139735684266
Energy: 0.45759824736192406
Energy: 0.5274775041473236
Energy: 0.52483916179965
Energy: 0.45762526508589174
Energy: 0.5247981636351496
Energy: 0.5095061714265328
Energy: 0.46414587400463153
Energy: 0.5393861258113423
Energy: 0.5373903388394151
Energy: 0.4520468144384315
Energy: 0.48146890423488276
Energy: 0.4458110683143568
Energy: 0.45800492569197726
Energy: 0.501275921812216
Energy: 0.45548850198080787
Energy: 0.45797200003945665
Energy: 0.5326799894334224
Energy: 0.45911366915569213
Energy: 0.4553075462509828
Energy: 0.4689947954362889
Energy: 0.46995250398178756
Energy: 0.4559424376742058
Energy: 0.484493228547968
Energy: 0.4549082317778698
Energy: 0.45559879052512225
Energy: 0.48035687032379565
Energy: 0.47512642046038817
Energy: 0.5058215720687548
Energy: 0.4806912100751503
Energy: 0.4577211556282946
Energy: 0.4938816388207884
Energy: 0.40863328822306827
Energy: 0.4075717429723409
Energy: 0.4625962217450703
Energy: 0.41159199360076415
Energy: 0.4075226142001582
Energy: 0.4938283064886544
Energy: 0.40815315315365164
Energy: 0.4082111499164801
Energy: 0.46796800982534764
Energy: 0.40801873028120017
Energy: 0.4447676185861171
Energy: 0.4065030580609171
Energy: 0.42289842571960035
Energy: 0.40727734809145855
Energy: 0.4070208822350125
Energy: 0.4680031895676646
Energy: 0.40645197903429886
Energy: 0.4087455107707148
Energy: 0.4073849812158236
Energy: 0.40840523846619264
Energy: 0.40951818028762577
Energy: 0.4402214285381726
Energy: 0.40721486094833464
Energy: 0.38277753289089983
Energy: 0.5097395219452074
Energy: 0.4587139481101237
Energy: 0.4473733591946854
Energy: 0.48257338290554114
Energy: 0.44331272111007947
Energy: 0.3825559653393757
Energy: 0.45973287437259164
Energy: 0.4658772631249073
Energy: 0.4539491428487854
Energy: 0.45436386727836153
Energy: 0.46271728660636785
Energy: 0.477594099465414
Energy: 0.41050530106578104
Energy: 0.442013982572621
Energy: 0.47706324402277855
Energy: 0.40995977472672757
Energy: 0.4375234941485536
Energy: 0.5207614112520816
Energy: 0.4690131350561035
Energy: 0.46627615955507035
Energy: 0.48699061155916573
Energy: 0.43710448684582087
Energy: 0.48062931074040527
Energy: 0.5582222945763499
Energy: 0.45731347804161065
Energy: 0.4460719525061811
Energy: 0.48297101421971633
Energy: 0.44571372039696394
Energy: 0.4582031282168469
Energy: 0.453219056337535
Energy: 0.5093270214951527
Energy: 0.5398536823789148
Energy: 0.4609163069861982
Energy: 0.5074124448622334
Energy: 0.49675637395812466

minimum gb energy = 0.3825559653393757 eV
minimum distance =  2.59964649273867 Angstroms
sigma value = 41


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

Energy: 0.6374683167945927
Energy: 0.6393817349313373
Energy: 0.6410371099092441
Energy: 0.5002303365371672
Energy: 0.6997482044770985
Energy: 0.5685918386575981
Energy: 0.452580553121297
Energy: 0.5251993872175343
Energy: 0.4465827456521772
Energy: 0.44887358461076887
Energy: 0.506847617991224
Energy: 0.4457775036913921
Energy: 0.5098289056257445
Energy: 0.5348957445704949
Energy: 0.488747897572332
Energy: 0.55052624129084
Energy: 0.5353896291820928
Energy: 0.5040515316109256
Energy: 0.4430758283275705
Energy: 0.5403066468444379
Energy: 0.5329901988184399
Energy: 0.4771151051063795
Energy: 0.4938843843608611
Energy: 0.5368176023420062
Energy: 0.4295841246497307
Energy: 0.5065611339797991
Energy: 0.4904173691370153
Energy: 0.4301973140093939
Energy: 0.506134467798333
Energy: 0.42643234934534935
Energy: 0.5569816121702015
Energy: 0.5425071873525866
Energy: 0.5341763073506157
Energy: 0.5087092210075485
Energy: 0.5395679700554848
Energy: 0.5337247296761258
Energy: 0.4305865559447964
Energy: 0.43581076666000296
Energy: 0.43091125688313
Energy: 0.43055607245915634
Energy: 0.48971395245962324
Energy: 0.43736008036272367
Energy: 0.4297910035262452
Energy: 0.4634357111006797
Energy: 0.4305377983322873
Energy: 0.43059762741306506
Energy: 0.4624122180934288
Energy: 0.43000134104662735
Energy: 0.4902070088837482
Energy: 0.4727089036765901
Energy: 0.4673476675895333
Energy: 0.45080811098430595
Energy: 0.47208184154830973
Energy: 0.5092828966418024
Energy: 0.46912718352873706
Energy: 0.4346904926879794
Energy: 0.43088632536012605
Energy: 0.46113511374514393
Energy: 0.4319575964066097
Energy: 0.4185964762667379
Energy: 0.5337460727565099
Energy: 0.43080157095044785
Energy: 0.4308407069845929
Energy: 0.5344796785443683
Energy: 0.4063291746364306
Energy: 0.418865373470463
Energy: 0.5112317400895492
Energy: 0.5006544202168621
Energy: 0.484382737215049
Energy: 0.5480963817796266
Energy: 0.49924287425344727
Energy: 0.4540458996753292
Energy: 0.5172649342872871
Energy: 0.44344814966551227
Energy: 0.4430785825334168
Energy: 0.44262915879393633
Energy: 0.5058431924735167
Energy: 0.4229161410240439
Energy: 0.5526447836646753
Energy: 0.5061238566243456
Energy: 0.5671519634576663
Energy: 0.4979154798701266
Energy: 0.5329631915311225
Energy: 0.5671529408111037

minimum gb energy = 0.4063291746364306 eV
minimum distance =  2.59435736571892 Angstroms
sigma value = 11


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

Energy: 0.756124015966278
Energy: 0.6517429805319324
Energy: 0.5656131737267821
Energy: 0.5204994566005439
Energy: 0.6640246739137382
Energy: 0.5571113501296018
Energy: 0.5840650592370246
Energy: 0.475300460384592
Energy: 0.4904441808180896
Energy: 0.5443289939748958
Energy: 0.4752455725463463
Energy: 0.4824649635607489
Energy: 0.6044826198348241
Energy: 0.5633177388745471
Energy: 0.5359282687115304
Energy: 0.5859479024052126
Energy: 0.5630916858346472
Energy: 0.5187403808272767
Energy: 0.5744088830237801
Energy: 0.47339483788017717
Energy: 0.5434084968311446
Energy: 0.4940108777225772
Energy: 0.4684890423870995
Energy: 0.4868444616301108
Energy: 0.5392755203908578
Energy: 0.47769640782639305
Energy: 0.47764034020146334
Energy: 0.48291584297155055
Energy: 0.4775482904075707
Energy: 0.47637251595976887
Energy: 0.584935420174748
Energy: 0.47608480551032123
Energy: 0.47676672992242397
Energy: 0.4970268828520873
Energy: 0.47609140065912947
Energy: 0.4772290953836934
Energy: 0.47580262898222253
Energy: 0.47459494626158877
Energy: 0.47439060510893155
Energy: 0.47664492082524357
Energy: 0.47899070041507646
Energy: 0.47679011962712414
Energy: 0.48280164197457864
Energy: 0.4821113016375108
Energy: 0.4866568825315984
Energy: 0.4759497021492128
Energy: 0.4872058988603525
Energy: 0.47750346096666435
Energy: 0.4731747004582138
Energy: 0.4911434143116314
Energy: 0.4916009019665242
Energy: 0.5096712342769911
Energy: 0.5207425478552701
Energy: 0.5336248407729386
Energy: 0.4730834860337439
Energy: 0.4747378582635393
Energy: 0.47457322857734563
Energy: 0.5096893081706182
Energy: 0.5413247931022122
Energy: 0.5334748795814639
Energy: 0.48275517997080053
Energy: 0.5066370487399339
Energy: 0.48232778768267637
Energy: 0.4776833821165024
Energy: 0.5156980393848977
Energy: 0.4875800336693867
Energy: 0.6746062600635471
Energy: 0.5550164592866378
Energy: 0.5469079427625521
Energy: 0.691157836513369
Energy: 0.466455934523627
Energy: 0.5820870572305915
Energy: 0.48062002742527576
Energy: 0.5132129942493067
Energy: 0.4959409630685865
Energy: 0.4812403519465313
Energy: 0.510347252510195
Energy: 0.4960373318024957
Energy: 0.5107559697011247
Energy: 0.5793435713344097
Energy: 0.5538687097525833
Energy: 0.5124572948335949
Energy: 0.5785367093008135
Energy: 0.5080130811465087
Energy: 0.46000829279099065
Energy: 0.48593525868410764
Energy: 0.5277298798725965
Energy: 0.45992064117302883
Energy: 0.49240185852762186
Energy: 0.4789509241453554
Energy: 0.459176959199449
Energy: 0.4722617623066676
Energy: 0.4670318741754122
Energy: 0.4602522617594197
Energy: 0.47278828020587016
Energy: 0.46068129784213935
Energy: 0.4578268259068416
Energy: 0.5093303137931134
Energy: 0.4650090213982576
Energy: 0.4594925528107165
Energy: 0.4851073463701542
Energy: 0.464987439619937
Energy: 0.6232614869434958
Energy: 0.5154806800959814
Energy: 0.5138536489736796
Energy: 0.4886737104510455
Energy: 0.5187659477453681
Energy: 0.48686130493198093
Energy: 0.5097135650151761
Energy: 0.4889640422823918
Energy: 0.5209756449398008
Energy: 0.5165859892792675
Energy: 0.48918915941278557
Energy: 0.5096160740986793
Energy: 0.5955094384789346
Energy: 0.5791767647231016
Energy: 0.5360799167158146
Energy: 0.5917792907680692
Energy: 0.593155233876484
Energy: 0.5221352521361667
Energy: 0.5190941379550802
Energy: 0.47253255303939984
Energy: 0.5351894217365707
Energy: 0.5038883994700184
Energy: 0.47172005543262846
Energy: 0.5139366611534044
Energy: 0.48111069525232325
Energy: 0.49087550618320436
Energy: 0.5141019452303439
Energy: 0.48342627757423606
Energy: 0.4891027672983174
Energy: 0.5211967588660764
Energy: 0.4751184214838345
Energy: 0.5239092504173669
Energy: 0.524123317348768
Energy: 0.5636916159931773
Energy: 0.6297528655003517
Energy: 0.5248373913268806
Energy: 0.5458237727092916
Energy: 0.5125753010340205
Energy: 0.5145463566480357
Energy: 0.5005436391074254
Energy: 0.5164357084138569
Energy: 0.5079722004803652
Energy: 0.5188379187234882
Energy: 0.48900749388765885
Energy: 0.4950376347312629
Energy: 0.5184591238329487
Energy: 0.4790768920928595
Energy: 0.5142571236334736
Energy: 0.5490916084989409
Energy: 0.4654863588273939
Energy: 0.4649117228107589
Energy: 0.5269146514338663
Energy: 0.4613627884981693
Energy: 0.46595369331957287
Energy: 0.5537901414948897
Energy: 0.46047421342127326
Energy: 0.46072433806159896
Energy: 0.47299289867015515
Energy: 0.4623824837523048
Energy: 0.46068911222275044
Energy: 0.5617340994327604
Energy: 0.4700638579098181
Energy: 0.47485433280685363
Energy: 0.4728567007057331
Energy: 0.4653338903355698
Energy: 0.5118474517996267
Energy: 0.5880718152608149
Energy: 0.49337636554583497
Energy: 0.5002835144225041
Energy: 0.5752318666745092
Energy: 0.49247970393330387
Energy: 0.5439892965140125
Energy: 0.6452521795374078
Energy: 0.4886884094112088
Energy: 0.48889831522443417
Energy: 0.4926386650948034
Energy: 0.4789168407571578
Energy: 0.494486511923587
Energy: 0.4572535391321249
Energy: 0.6452878444331975
Energy: 0.5934962828601705
Energy: 0.4571582064610152
Energy: 0.6453697004425633
Energy: 0.5792540537026

minimum gb energy = 0.4571582064610152 eV
minimum distance =  2.59924325578644 Angstroms
sigma value = 57


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

Energy: 0.658000425078078
Energy: 0.5625756922783504
Energy: 0.565851297881074
Energy: 0.5782879642051222
Energy: 0.7200382099578758
Energy: 0.5610187901670374
Energy: 0.4486287253623283
Energy: 0.4976979048428095
Energy: 0.502625814158726
Energy: 0.473036495823686
Energy: 0.49503325688147615
Energy: 0.4952917060560245
Energy: 0.5112386307961726
Energy: 0.4798384640536463
Energy: 0.4751810372385975
Energy: 0.5131835780271377
Energy: 0.48001534183463024
Energy: 0.5119780063555225
Energy: 0.510901754138645
Energy: 0.4739894899592124
Energy: 0.47393984994364907
Energy: 0.5285648934934947
Energy: 0.5155317166586679
Energy: 0.47362786230112186
Energy: 0.4925880466028966
Energy: 0.4950988809950054
Energy: 0.48367195481135083
Energy: 0.486151689876235
Energy: 0.5129671042946528
Energy: 0.4811966475413142
Energy: 0.4929805463578305
Energy: 0.5124462465376227
Energy: 0.5130687780110714
Energy: 0.5523582902581414
Energy: 0.5115555440921496
Energy: 0.5466248757935328
Energy: 0.5121843738421705
Energy: 0.5172668471796159
Energy: 0.4941751455827179
Energy: 0.5111145998843283
Energy: 0.5160698274507189
Energy: 0.5129650263773974
Energy: 0.567950918265235
Energy: 0.4881665565627192
Energy: 0.472146729513022
Energy: 0.48526929869660845
Energy: 0.4954188899566071
Energy: 0.4728353719003327
Energy: 0.44904566321768924
Energy: 0.512192712455973
Energy: 0.5449492252732422
Energy: 0.4495695703919136
Energy: 0.5119417102037569
Energy: 0.5427595056540099
Energy: 0.4491267678570205
Energy: 0.5156229207562986
Energy: 0.5446832878875398
Energy: 0.44963012993496343
Energy: 0.5139839128492175
Energy: 0.4514343436306858
Energy: 0.5110990403508243
Energy: 0.48908759511530303
Energy: 0.4719450021178029
Energy: 0.485229735038723
Energy: 0.48702398373550526
Energy: 0.4731075182357813
Energy: 0.6209733209542374
Energy: 0.5502401622547591
Energy: 0.540691327262106
Energy: 0.6210962426071566
Energy: 0.5092020023531756
Energy: 0.6241778864861283
Energy: 0.49408281368117113
Energy: 0.49760851697793734
Energy: 0.4959177098825005
Energy: 0.4847300501714151
Energy: 0.4950661480917063
Energy: 0.4877667445220591
Energy: 0.6003245145584403
Energy: 0.5164537648999468
Energy: 0.5221824118036672
Energy: 0.5136977487336968
Energy: 0.5126262472147509
Energy: 0.5270632493160918
Energy: 0.5110573859615454
Energy: 0.4941758282831907
Energy: 0.4953932492946972
Energy: 0.5178133471323617
Energy: 0.449516951314045
Energy: 0.4800945197361151
Energy: 0.5120790196358249
Energy: 0.45053860060130935
Energy: 0.45133159703964154
Energy: 0.5123023202703525
Energy: 0.450723432368733
Energy: 0.5126117844742538
Energy: 0.4485906053739451
Energy: 0.49759870100735465
Energy: 0.5034056425199085
Energy: 0.449579551960565
Energy: 0.47287301322540204
Energy: 0.4876050811744742

minimum gb energy = 0.4485906053739451 eV
minimum distance =  2.66577898843364 Angstroms
sigma value = 9


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

Energy: 0.8107714891335902
Energy: 0.5528048514740406
Energy: 0.5567179159604728
Energy: 0.5408339562353378
Energy: 0.5737615244730773
Energy: 0.5296367458654699
Energy: 0.5703519808169444
Energy: 0.5235375772086845
Energy: 0.5170130376154846
Energy: 0.5069645728380138
Energy: 0.5305511041352019
Energy: 0.5151275962129157
Energy: 0.576322898435317
Energy: 0.5227795936690416
Energy: 0.5662043884034665
Energy: 0.5678875179740973
Energy: 0.5217273062950948
Energy: 0.5618213643162201
Energy: 0.5390453700737747
Energy: 0.5265666640065421
Energy: 0.5300591376214708
Energy: 0.5339198127349192
Energy: 0.5201695206738668
Energy: 0.5315476491450799
Energy: 0.5148401801674288
Energy: 0.5226198315061015
Energy: 0.519712548683971
Energy: 0.4998586529584509
Energy: 0.5269688071048894
Energy: 0.5000178504196118
Energy: 0.5155828227343915
Energy: 0.5131016619947155
Energy: 0.5115080574225711
Energy: 0.5115489126541277
Energy: 0.510127542727215
Energy: 0.511092787429135
Energy: 0.6630875500675927
Energy: 0.5373541641220523
Energy: 0.5702836795879473
Energy: 0.6166006527640356
Energy: 0.5361113228031671
Energy: 0.5303262580057058
Energy: 0.5345381542622222
Energy: 0.5127282699692374
Energy: 0.5194110619537022
Energy: 0.5284291731946881
Energy: 0.5093194947354646
Energy: 0.5207119605500679
Energy: 0.5929342963336247
Energy: 0.5594716824658829
Energy: 0.5378181581353563
Energy: 0.5248144791319257
Energy: 0.545928372545026
Energy: 0.5666481907720402
Energy: 0.5947702772823271
Energy: 0.540941972123102
Energy: 0.547921922921687
Energy: 0.5260139190035571
Energy: 0.5344983155381262
Energy: 0.5003228041632442
Energy: 0.5346209000224715
Energy: 0.5012202170307866
Energy: 0.5158913106616498
Energy: 0.5308814550529836
Energy: 0.5000393912065538
Energy: 0.522393740798759
Energy: 0.5345922424493902
Energy: 0.4996153086012049
Energy: 0.5141269987653064
Energy: 0.5308416188917634
Energy: 0.5020233706353231
Energy: 0.5222799740889446
Energy: 0.6095326015636316
Energy: 0.572892861670385
Energy: 0.5642731757297351
Energy: 0.5392581419991291
Energy: 0.5682486619314844
Energy: 0.5257326757947922
Energy: 0.6153397655708345
Energy: 0.5526755045259796
Energy: 0.5249467362175099
Energy: 0.5358662398290243
Energy: 0.5554354630981722
Energy: 0.524731866715526
Energy: 0.5444858347643656
Energy: 0.499708181633165
Energy: 0.4978273333256629
Energy: 0.5500003222686926
Energy: 0.49806462386709005
Energy: 0.5176126293708004
Energy: 0.6299984345262917
Energy: 0.5649764485587627
Energy: 0.5935158114460587
Energy: 0.61243071812911
Energy: 0.5641561487462248
Energy: 0.5928281053908722
Energy: 0.533880036723261
Energy: 0.5111157283051366
Energy: 0.525333185002731
Energy: 0.5283108012265838
Energy: 0.5369912439059676
Energy: 0.5240329084088947
Energy: 0.5594563040303066
Energy: 0.5536417782352
Energy: 0.5542741888472978
Energy: 0.5251398605792336
Energy: 0.5519982101069922
Energy: 0.5244759393311729
Energy: 0.5588354785531385
Energy: 0.5079814688375528
Energy: 0.5112611844110909
Energy: 0.5605096967576962
Energy: 0.5050871404067184
Energy: 0.5101427459116076
Energy: 0.5607688661951983
Energy: 0.5081946746032103
Energy: 0.5079414094756766
Energy: 0.535864754072245
Energy: 0.5088327153449312
Energy: 0.5079268210424306
Energy: 0.5442152107381695
Energy: 0.5199582740700953
Energy: 0.5173672713495383
Energy: 0.5189530773459876
Energy: 0.5307014346432942
Energy: 0.5160530013532091

minimum gb energy = 0.4978273333256629 eV
minimum distance =  2.6003871817319 Angstroms
sigma value = 27


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

Energy: 0.6366227951731427
Energy: 0.5269314298802387
Energy: 0.5004097173351042
Energy: 0.4979297776986389
Energy: 0.7634903797704078
Energy: 0.501356147324807
Energy: 0.5345217006819248
Energy: 0.5257924324940315
Energy: 0.5271201535153267
Energy: 0.6041266620701494
Energy: 0.6268959536135833
Energy: 0.5098130710483265
Energy: 0.7841174447711303
Energy: 0.7364618156317563
Energy: 0.7360212765954808
Energy: 0.7722785851970365
Energy: 0.4759052796415044
Energy: 0.7359913655198471
Energy: 0.5568357797627317
Energy: 0.5198274111693444
Energy: 0.5060441190236251
Energy: 0.559086742063184
Energy: 0.5494201803879896
Energy: 0.5108669819246311
Energy: 0.4958787992513045
Energy: 0.5637768368584027
Energy: 0.5635625127042607
Energy: 0.48789686545410993
Energy: 0.5871085891417258
Energy: 0.5659587887258809
Energy: 0.5079505434540121
Energy: 0.5438974302272809
Energy: 0.5176192594221456
Energy: 0.511064934460833
Energy: 0.5431323594980185
Energy: 0.5122013723319896
Energy: 0.5816132796831414
Energy: 0.4700821827937757
Energy: 0.4714156479970201
Energy: 0.5640663108035507
Energy: 0.4701337723542071
Energy: 0.4915771679600427
Energy: 0.5575077453033485
Energy: 0.5013921005246144
Energy: 0.516789842862638
Energy: 0.5575505670628437
Energy: 0.5036080445472945
Energy: 0.5156257901905783
Energy: 0.629062798680045
Energy: 0.5056122981729225
Energy: 0.5063700826110181
Energy: 0.5033726177058094
Energy: 0.5482111901002743
Energy: 0.45656054032643245
Energy: 0.6159609451653951
Energy: 0.47601019469508954
Energy: 0.4835237876312279
Energy: 0.4893048361260088
Energy: 0.48448164368911806
Energy: 0.4828038203041366
Energy: 0.5771014088218492
Energy: 0.5260185568048308
Energy: 0.5264059955971444
Energy: 0.5754554333619698
Energy: 0.4728756968580477
Energy: 0.5153398396458925
Energy: 0.5201478148279111
Energy: 0.4370764827571375
Energy: 0.4370362070842644
Energy: 0.5129288790523653
Energy: 0.43826984622032217
Energy: 0.4378078753520548
Energy: 0.43775849583488147
Energy: 0.5047935400036868
Energy: 0.4732531424502615
Energy: 0.43631498343446984
Energy: 0.5051923585571718
Energy: 0.4367935428361943
Energy: 0.43796505423244647
Energy: 0.47381636448550657
Energy: 0.44653381576934326
Energy: 0.4460574188851718
Energy: 0.47566659974062336
Energy: 0.43718118725807614
Energy: 0.5186636167384433
Energy: 0.43953128047018525
Energy: 0.4367311977190792
Energy: 0.5164109468571287
Energy: 0.43757450436990525
Energy: 0.4371815010240553
Energy: 0.5755961257707889
Energy: 0.517895929635083
Energy: 0.5175583447897437
Energy: 0.5575892891105282
Energy: 0.47541366893673054
Energy: 0.5187781161435608
Energy: 0.49490177479969366
Energy: 0.4466325819838347
Energy: 0.5299857595601887
Energy: 0.4884092675540475
Energy: 0.4467234877419659
Energy: 0.4763146870098547
Energy: 0.5368898496361664
Energy: 0.4993709730778722
Energy: 0.49873257198231935
Energy: 0.5045595087045528
Energy: 0.5671250835055449
Energy: 0.49890777344189585
Energy: 0.5589100925781074
Energy: 0.4709395844171253
Energy: 0.48559302119007847
Energy: 0.5531823704289175
Energy: 0.47108330723898106
Energy: 0.48522590469731075
Energy: 0.5824065088017805
Energy: 0.4709929370374357
Energy: 0.4899480039399983
Energy: 0.5536711894432309
Energy: 0.4730829745384218
Energy: 0.4853557724042679
Energy: 0.6111322283475679
Energy: 0.5557047916688986
Energy: 0.49904597582869087
Energy: 0.5095052304656548
Energy: 0.5453276635584949
Energy: 0.49872117879469896
Energy: 0.49208378775213846
Energy: 0.7716840448278611
Energy: 0.6633764924723975
Energy: 0.4737727349971002
Energy: 0.7696584524313117
Energy: 0.589357891793987
Energy: 0.6092265959751714
Energy: 0.5153132770563384
Energy: 0.5170365338010189
Energy: 0.5260898030199376
Energy: 0.5167813480226161
Energy: 0.5020759082234596
Energy: 0.6122591564137944
Energy: 0.5056322916137215
Energy: 0.5070860130080669
Energy: 0.568969425540565
Energy: 0.5051461033377287
Energy: 0.5061731365336036
Energy: 0.5360875243300466
Energy: 0.5498018305554464
Energy: 0.5485958513335256
Energy: 0.49362796754891797
Energy: 0.5916902682972064
Energy: 0.4983253624794631

minimum gb energy = 0.43631498343446984 eV
minimum distance =  2.62436349059406 Angstroms
sigma value = 19


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

Energy: 0.7663737803439727
Energy: 0.5351253731272296
Energy: 0.45764001876363636
Energy: 0.47143484511351086
Energy: 0.5274761556610579
Energy: 0.45761669237384184
Energy: 0.5756771216286417
Energy: 0.5012831285472544
Energy: 0.5015561246102249
Energy: 0.5086669278386868
Energy: 0.5306358858528576
Energy: 0.47768881656218076
Energy: 0.5753355051797803
Energy: 0.52912313163041
Energy: 0.4758748389597422
Energy: 0.5418681852231177
Energy: 0.5268387704952657
Energy: 0.5342360641911613
Energy: 0.5639810632689511
Energy: 0.4764326755270842
Energy: 0.47531047383577263
Energy: 0.5476500354791904
Energy: 0.4764047047236498
Energy: 0.4754506878499164
Energy: 0.4747974144439017
Energy: 0.5428757168481771
Energy: 0.5371231463316912
Energy: 0.4801702331644756
Energy: 0.5379834761011292
Energy: 0.47615415327725896
Energy: 0.4890833817592063
Energy: 0.5242725926716606
Energy: 0.5200809719044273
Energy: 0.49198473752253985
Energy: 0.5262992532924361
Energy: 0.5178605404601174
Energy: 0.5151600292499925
Energy: 0.47618296797459964
Energy: 0.47441973155213013
Energy: 0.5300901840628408
Energy: 0.4749956555708569
Energy: 0.46400070966594553
Energy: 0.4814297746385959
Energy: 0.48039965965268283
Energy: 0.47622517360207023
Energy: 0.49204792289267385
Energy: 0.48054371001790314
Energy: 0.4782856111484632
Energy: 0.46765202753816654
Energy: 0.4768809649251429
Energy: 0.47744569961721245
Energy: 0.47527382544875674
Energy: 0.4767508215122278
Energy: 0.47582494570191736
Energy: 0.46719538649553194
Energy: 0.4790771629375295
Energy: 0.4813921815810354
Energy: 0.4758533853140715
Energy: 0.4956405214935337
Energy: 0.48233087219520365
Energy: 0.5638167343019199
Energy: 0.567598422260082
Energy: 0.5685548863567909
Energy: 0.5687656862507982
Energy: 0.5614073862483006
Energy: 0.5616690100382171
Energy: 0.5769571967491014
Energy: 0.4772641393767242
Energy: 0.477535569679136
Energy: 0.5462798736129382
Energy: 0.48691281363021116
Energy: 0.4705891031060517
Energy: 0.5412362381710788
Energy: 0.5153178943039236
Energy: 0.4805101384870064
Energy: 0.5203952718432951
Energy: 0.514896453787652
Energy: 0.47648458703405155
Energy: 0.5267426630827535
Energy: 0.5071521948741013
Energy: 0.4787087217170912
Energy: 0.4699652494937403
Energy: 0.49458118742714297
Energy: 0.4782218149762004
Energy: 0.5391608481313014
Energy: 0.46820078319687447
Energy: 0.46809430579108996
Energy: 0.4738319597972727
Energy: 0.46745671176893316
Energy: 0.46808745417701686
Energy: 0.5398281509378325
Energy: 0.48312563469809194
Energy: 0.4834730879351042
Energy: 0.47346749603873656
Energy: 0.47354651381132495
Energy: 0.4758334224229092
Energy: 0.6023047399652219
Energy: 0.50016633069718
Energy: 0.4830717253562297
Energy: 0.5613510036993896
Energy: 0.5314792495641482
Energy: 0.4820797513173894
Energy: 0.5087558689410748
Energy: 0.47819838999034586
Energy: 0.4788040482852753
Energy: 0.47101049735326506
Energy: 0.5349904251918982
Energy: 0.47836747070929225
Energy: 0.5340109826960842
Energy: 0.4689820494053511
Energy: 0.4702206791462861
Energy: 0.5154382593147694
Energy: 0.47044200522628254
Energy: 0.5339976058304525
Energy: 0.5388066708166358
Energy: 0.47041796438559025
Energy: 0.4692392925181175
Energy: 0.515473854310771
Energy: 0.4907207700473185
Energy: 0.5007340996740925
Energy: 0.45744672945641895
Energy: 0.4698991333600224
Energy: 0.4784089700024683
Energy: 0.46750251498213036
Energy: 0.4732073055070685
Energy: 0.47022857848716404
Energy: 0.4767176048417042
Energy: 0.47631504404115366
Energy: 0.4709166391770189
Energy: 0.46700372853966
Energy: 0.4739545659547832
Energy: 0.4759728917909107
Energy: 0.5296350591197303
Energy: 0.4795361970649096
Energy: 0.4817657206844816
Energy: 0.501585378324182
Energy: 0.47956674590547355
Energy: 0.5145754322281612
Energy: 0.5322880376686416
Energy: 0.4536691086118784
Energy: 0.47229569230480245
Energy: 0.5298177513741046
Energy: 0.45421942847180774
Energy: 0.47280054880889155
Energy: 0.4965442452075168
Energy: 0.5564548743847999
Energy: 0.49530460663457065
Energy: 0.47425611843003945
Energy: 0.5538131822246284
Energy: 0.46809736384499334
Energy: 0.4785737320806428
Energy: 0.5360224969465197
Energy: 0.5072014532338088
Energy: 0.524479678630276
Energy: 0.5597243809580097
Energy: 0.47555895263513437
Energy: 0.5557776162710392
Energy: 0.4826588394908934
Energy: 0.4827365503467622
Energy: 0.47878231719358927
Energy: 0.47759045206260164
Energy: 0.4789413943547996
Energy: 0.5555239254483371
Energy: 0.4760753389819307
Energy: 0.4768062774724366
Energy: 0.47642299705842944
Energy: 0.4755738225216062
Energy: 0.4756876845852893
Energy: 0.5080481433139283
Energy: 0.508682196622005
Energy: 0.5583631450498018
Energy: 0.48067920927989616
Energy: 0.5058619480791765
Energy: 0.5025302413712445

minimum gb energy = 0.4536691086118784 eV
minimum distance =  2.64150890976983 Angstroms
sigma value = 101


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

Energy: 0.6843197253843609
Energy: 0.4576785703811414
Energy: 0.45773677845963145
Energy: 0.6167619795496067
Energy: 0.4736884400724646
Energy: 0.6143283528403564
Energy: 0.5466570479019853
Energy: 0.4750683948782488
Energy: 0.47545579635366764
Energy: 0.5037393300890078
Energy: 0.4648183140677862
Energy: 0.48599005239386167
Energy: 0.5809117200165809
Energy: 0.5511580234614734
Energy: 0.5440307798117512
Energy: 0.5446572731195517
Energy: 0.5498465732005172
Energy: 0.5430435254686594
Energy: 0.46936290471505143
Energy: 0.46067378098692957
Energy: 0.4607257371601781
Energy: 0.4604270937373181
Energy: 0.46033196797175696
Energy: 0.46119341590515295
Energy: 0.45996625229798216
Energy: 0.5419591213981877
Energy: 0.5419256491304031
Energy: 0.45802033599075476
Energy: 0.5440803076635049
Energy: 0.4571121564960229
Energy: 0.49043643511724305
Energy: 0.5011969345896564
Energy: 0.5009060417059374
Energy: 0.4866202685088546
Energy: 0.5037834433674054
Energy: 0.4613320641680162
Energy: 0.49561820652170596
Energy: 0.5367109698722865
Energy: 0.5329925398403069
Energy: 0.5005920819882421
Energy: 0.536623287769695
Energy: 0.5390482546668829
Energy: 0.4499511872991525
Energy: 0.5043371096546021
Energy: 0.46164755923728357
Energy: 0.46216099670248284
Energy: 0.44812400078877834
Energy: 0.51739676170066
Energy: 0.4519501079058085
Energy: 0.4623307127171313
Energy: 0.46229594377415306
Energy: 0.44973217676519506
Energy: 0.4631005133707304
Energy: 0.46190365321240767
Energy: 0.4500709169576675
Energy: 0.46350226797517063
Energy: 0.46323406590761407
Energy: 0.4599207701596378
Energy: 0.49440001885548174
Energy: 0.46369536853547644
Energy: 0.5716763251757341
Energy: 0.6144601614775664
Energy: 0.6180634936956579
Energy: 0.5446916895061872
Energy: 0.6174812700101071
Energy: 0.6131662808697809
Energy: 0.5336962155638879
Energy: 0.4629572628274136
Energy: 0.46289153004437233
Energy: 0.47369545698813703
Energy: 0.47594601910816486
Energy: 0.4616126616348676
Energy: 0.5723613629417915
Energy: 0.5431725331597811
Energy: 0.5469196843824778
Energy: 0.5373368748106339
Energy: 0.5569799540108821
Energy: 0.5505545323339264
Energy: 0.46780424190864794
Energy: 0.48734115109202747
Energy: 0.4768712274594365
Energy: 0.4581652670982333
Energy: 0.4859448748939212
Energy: 0.4608502339315402
Energy: 0.5615575376856147
Energy: 0.46233420925269675
Energy: 0.4600196616654972
Energy: 0.4604214940730013
Energy: 0.460501237322791
Energy: 0.4609414550717729
Energy: 0.5617741785979884
Energy: 0.4715065905972903
Energy: 0.46070206211633924
Energy: 0.48532516154828653
Energy: 0.4616724056349036
Energy: 0.461380230774056
Energy: 0.6869498649414861
Energy: 0.5159482034048639
Energy: 0.45686032969823404
Energy: 0.6110487644493398
Energy: 0.5072305838681503
Energy: 0.6048928944031613
Energy: 0.5465827946937204
Energy: 0.4993851508044129
Energy: 0.49789622275792195
Energy: 0.4772330799204476
Energy: 0.4623024694461999
Energy: 0.45744925019548177
Energy: 0.5831583263491094
Energy: 0.4598871316359683
Energy: 0.4967404889317869
Energy: 0.5443635717401074
Energy: 0.46011345057111147
Energy: 0.5463975411978081
Energy: 0.5933372809122357
Energy: 0.4604165465526567
Energy: 0.497217781018328
Energy: 0.5412576581337519
Energy: 0.4604595497591123
Energy: 0.5507212298515722
Energy: 0.4619812505849419
Energy: 0.5412736640844973
Energy: 0.5405635872508305
Energy: 0.4588300779755501
Energy: 0.5417537090110949
Energy: 0.4567653464731301
Energy: 0.4897334208828137
Energy: 0.46233480990081044
Energy: 0.4600109559966191
Energy: 0.47557092701746506
Energy: 0.500943332364903
Energy: 0.4613626450272386
Energy: 0.4958923081350502
Energy: 0.5491957048639281
Energy: 0.537924603631191
Energy: 0.5066525565752099
Energy: 0.46062997463693417
Energy: 0.5414447658677765
Energy: 0.45034193824489815
Energy: 0.4603968164924816
Energy: 0.482577973712353
Energy: 0.4622841975419342
Energy: 0.4603356098363097
Energy: 0.5700807194362463
Energy: 0.45074918492124855
Energy: 0.46329100033197024
Energy: 0.4608020317989139
Energy: 0.46123665282833326
Energy: 0.46270947389838524
Energy: 0.46046546962564444
Energy: 0.4516664886562378
Energy: 0.4612548048100422
Energy: 0.4613281343124334
Energy: 0.4568199783527355
Energy: 0.4580470293736561
Energy: 0.4615796439265238
Energy: 0.5764078606422848
Energy: 0.6181209732994793
Energy: 0.5840409611783899
Energy: 0.5276757562353038
Energy: 0.4380398413179327
Energy: 0.5814367263817933
Energy: 0.5338110955406846
Energy: 0.4384966609664544
Energy: 0.43855979129126854
Energy: 0.5304506676999257
Energy: 0.4380155473608588
Energy: 0.5453157417085521
Energy: 0.4681030756952528
Energy: 0.4694290491398941
Energy: 0.5521320572933203
Energy: 0.4474327747705299
Energy: 0.5534187665321451
Energy: 0.4745037799185253
Energy: 0.46844916895516714
Energy: 0.49932151972191197
Energy: 0.5483672592427177
Energy: 0.5366557573293814
Energy: 0.5417754062686392
Energy: 0.5497861894316733
Energy: 0.5641191242784571
Energy: 0.4636714231014551
Energy: 0.46088305774510613
Energy: 0.4600997906406184
Energy: 0.463288553227689
Energy: 0.46183912592312404
Energy: 0.5614046044364946
Energy: 0.45997312791296474
Energy: 0.46025107674050614
Energy: 0.4616645379785481
Energy: 0.4599080983528643
Energy: 0.4606651509376461
Energy: 0.4747901216986286
Energy: 0.510576782494114
Energy: 0.5268296944492145
Energy: 0.43703058686271323
Energy: 0.4991641085740468
Energy: 0.5183241694591563

minimum gb energy = 0.43703058686271323 eV
minimum distance =  2.64288577322301 Angstroms
sigma value = 33


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

Energy: 0.011785348023659789
Energy: 0.013284079431467546
Energy: 0.012254343705261619
Energy: 0.013315505032491856
Energy: 0.35628767340329986
Energy: 0.012073735279873724
Energy: 0.012342084017477047
Energy: 0.06732737618275145
Energy: 0.06706219896277557
Energy: 0.06649830516913903
Energy: 0.06770705001735414
Energy: 0.06684078057199924
Energy: 0.6765304690740739
Energy: 0.35711680628329506
Energy: 0.3553175280655962
Energy: 0.3541894621643999
Energy: 0.35605794445528993
Energy: 0.355459742619655
Energy: 0.01234208401712054
Energy: 0.06732737618308815
Energy: 0.06706219896241906
Energy: 0.06649830517018875
Energy: 0.06770705001630441
Energy: 0.06684078057199924

minimum gb energy = 0.011785348023659789 eV
minimum distance =  2.81675727486079 Angstroms
sigma value = 1