Model name: model_name=EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_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=4.05000014603138
cohesive_energy=3.3602642414071076
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=[1.6808435067293999e-19, 2.3534532794489397e-19, 2.86969061269008e-19, 3.26733483148254e-19, 3.5886833989639197e-19, 3.86874387458712e-19, 4.1120504182263594e-19, 4.3076441417050794e-19, 4.4647856259678e-19, 4.59763811245908e-19, 4.71501357266592e-19, 4.82099755700502e-19, 4.916855785017239e-19, 5.00278051789866e-19, 5.07936456100386e-19, 5.1471526543884e-19, 5.20632103748202e-19, 5.25683766675204e-19, 5.29857436806774e-19, 5.331274793167679e-19, 5.35525937737866e-19, 5.37132920901768e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3803494634671e-19, 5.3711369478216e-19, 5.355083137948919e-19, 5.3315631849618e-19, 5.29905502105794e-19, 5.25510731598732e-19, 5.19590688936102e-19, 5.116294732417559e-19, 5.010983662264739e-19, 4.8759842590839e-19, 4.70910154088646e-19, 4.50775600329168e-19, 4.26694885520148e-19, 3.9780764080912797e-19, 3.6270074640491994e-19, 3.1920966167499e-19, 2.64586653692028e-19, 1.9631950949392198e-19, 1.1272962862123018e-19, 9.6846770995398e-21, -1.2084962002000559e-19, -2.82957210977472e-19, -4.77051297126768e-19, -7.17836014744092e-19, -1.04407442531244e-18, -1.517576901194898e-18, -2.23651040693328e-18, -3.46289651142858e-18, -5.8276291143808794e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010324785036449624
Energy: 0.22503322782862092
Energy: 0.010759371284248429
Energy: 0.01190580637976742
Energy: 0.2249788016817183
Energy: 0.010763400152997553
Energy: 0.22503322782862092
Energy: 0.05049817421404115
Energy: 0.05045084148549032
Energy: 0.05070744882823692
Energy: 0.05047884471274438
Energy: 0.050571748683288606
Energy: 0.010759371284248429
Energy: 0.05045084148549032
Energy: 0.050789873012418454
Energy: 0.010783459845387755
Energy: 0.05037474620901845
Energy: 0.0509776598305482
Energy: 0.011905806379989519
Energy: 0.05070744882798706
Energy: 0.010783459846859142
Energy: 0.010502296623447408
Energy: 0.050614178674706765
Energy: 0.010709144039863651
Energy: 0.22497880168099652
Energy: 0.05047884471371606
Energy: 0.05037474620879637
Energy: 0.05061417867495662
Energy: 0.05034066435231542
Energy: 0.05058486538984404
Energy: 0.010763400152997553
Energy: 0.05057174868353846
Energy: 0.05097765983077029
Energy: 0.010709144040113508
Energy: 0.05058486538959418
Energy: 0.010816444046737613

minimum gb energy = 0.010324785036449624 eV
minimum distance =  2.85634605341233 Angstroms
sigma value = 1


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

Energy: 0.663375661921555
Energy: 0.7166833129495861
Energy: 0.4469430196098252
Energy: 0.5073289616781478
Energy: 0.47917543511149896
Energy: 0.4482539237747627
Energy: 0.6268677827865916
Energy: 0.4761861016247314
Energy: 0.47645946622928403
Energy: 0.47055928447832573
Energy: 0.4926215652745306
Energy: 0.45739997234529567
Energy: 0.6964041233908581
Energy: 0.4542393024402696
Energy: 0.43901559981443805
Energy: 0.451095264439118
Energy: 0.4752548317568367
Energy: 0.439093924880965
Energy: 0.7014841920365139
Energy: 0.43915357172867975
Energy: 0.42941051453458084
Energy: 0.43028730363574025
Energy: 0.43898439417214935
Energy: 0.429536544350551
Energy: 0.6932618540168252
Energy: 0.4738093286744085
Energy: 0.47363016247263046
Energy: 0.468971394266594
Energy: 0.47434079199145635
Energy: 0.4737474822901971
Energy: 0.6174890685202447
Energy: 0.46072161418399193
Energy: 0.4587314098680769
Energy: 0.45743908919814436
Energy: 0.4588359470054259
Energy: 0.45944376629102546
Energy: 0.6164908894073141
Energy: 0.4607324378714061
Energy: 0.4605424852825774
Energy: 0.45720110765766037
Energy: 0.4708582305457691
Energy: 0.45742507317961634
Energy: 0.5831354586564413
Energy: 0.46979030965103885
Energy: 0.4748099176997761
Energy: 0.45776743027183187
Energy: 0.4698447949692788
Energy: 0.4573033846897852
Energy: 0.5041048116022858
Energy: 0.4579401295793418
Energy: 0.45876539441204534
Energy: 0.475000687581355
Energy: 0.45710213569100705
Energy: 0.45893313229578114
Energy: 0.5004094265954946
Energy: 0.4730165845162746
Energy: 0.4583558075811689
Energy: 0.4747992370051805
Energy: 0.4725390083247591
Energy: 0.4741143665627126
Energy: 0.5418601531444872
Energy: 0.4413893387234295
Energy: 0.4416871674211897
Energy: 0.5293011377855484
Energy: 0.44137189134205934
Energy: 0.41623917680906275
Energy: 0.4937213781064587
Energy: 0.4295571341319722
Energy: 0.4383475001484729
Energy: 0.4927116687075559
Energy: 0.4466868102045633
Energy: 0.4384982851514796
Energy: 0.4918272636149405
Energy: 0.45955271158986044
Energy: 0.4769077119041506
Energy: 0.49188983474112413
Energy: 0.4474858123228125
Energy: 0.4767973140439681
Energy: 0.5322551187051243
Energy: 0.42938897307813023
Energy: 0.4294765697988507
Energy: 0.47653807185651625
Energy: 0.4340646253330151
Energy: 0.43902389279562815
Energy: 0.4903972481010434
Energy: 0.48537758080193444
Energy: 0.4475958860053052
Energy: 0.48490847528977
Energy: 0.4691648262249119
Energy: 0.4820437466851151
Energy: 0.4910380372646653
Energy: 0.4299854339359932
Energy: 0.4304056655674866
Energy: 0.4836323853135651
Energy: 0.42977996035044835
Energy: 0.43051967559560056
Energy: 0.54303839861558
Energy: 0.4569779064938564
Energy: 0.4569619461631224
Energy: 0.45488635234763397
Energy: 0.4568381265394389
Energy: 0.43016307563411516
Energy: 0.5454841586514069
Energy: 0.4739067338515169
Energy: 0.4723839807839504
Energy: 0.4726401830315598
Energy: 0.47359654468372014
Energy: 0.47238285380213924
Energy: 0.5475771389427592
Energy: 0.4736096743428095
Energy: 0.47301010070137417
Energy: 0.4729671557856237
Energy: 0.4730550136076853
Energy: 0.4722214947679346
Energy: 0.684979302294103
Energy: 0.47489669036023696
Energy: 0.4730371742803634
Energy: 0.47488423906082483
Energy: 0.47325581938826566
Energy: 0.4725268857225556
Energy: 0.6597116954982425
Energy: 0.4320588834530428
Energy: 0.4418108745214842
Energy: 0.44108205435658476
Energy: 0.4314102025208107
Energy: 0.4413330216438475
Energy: 0.6551332767074782
Energy: 0.44914660739523293
Energy: 0.43100809799443
Energy: 0.44131996071923313
Energy: 0.46235939988407637
Energy: 0.4308114038474985
Energy: 0.6614941949724574
Energy: 0.4826363443555852
Energy: 0.48239894217186424
Energy: 0.46949089181570924
Energy: 0.4825210510882247
Energy: 0.46259424964894247

minimum gb energy = 0.41623917680906275 eV
minimum distance =  2.60487216394296 Angstroms
sigma value = 33


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

Energy: 0.7300769193590628
Energy: 0.4392883108928395
Energy: 0.42199708346886755
Energy: 0.41813572562252405
Energy: 0.43915775955419856
Energy: 0.4233621253536451
Energy: 0.6169163339457956
Energy: 0.4381908154378671
Energy: 0.4372451901409064
Energy: 0.43757450981402807
Energy: 0.4793442942671527
Energy: 0.43705923155800175
Energy: 0.6178876098129628
Energy: 0.47747535504472216
Energy: 0.4371154312537897
Energy: 0.43447150250290995
Energy: 0.47755997584802273
Energy: 0.43719438075841865
Energy: 0.6151621995252452
Energy: 0.4374882774831872
Energy: 0.43742908530061475
Energy: 0.4347493323567021
Energy: 0.43740326090738724
Energy: 0.43465532399844864
Energy: 0.56640762634634
Energy: 0.47999103870260945
Energy: 0.47942368148967124
Energy: 0.4710125504370808
Energy: 0.4800623397714815
Energy: 0.43896606064902677
Energy: 0.6151767263499627
Energy: 0.4379600425489084
Energy: 0.43831867395382873
Energy: 0.43787729489727134
Energy: 0.4375396612619952
Energy: 0.43623159545854473
Energy: 0.6147529990089626
Energy: 0.44030570601419555
Energy: 0.44131561057986113
Energy: 0.4381758952063429
Energy: 0.439142972183305
Energy: 0.4412020415223285
Energy: 0.5640873363603802
Energy: 0.47423430223674456
Energy: 0.47327412365204446
Energy: 0.44922395716242397
Energy: 0.4712674396577019
Energy: 0.47203761598958716
Energy: 0.49772599165367915
Energy: 0.46980974907929146
Energy: 0.4378120603049439
Energy: 0.47889347785993946
Energy: 0.4689297659069839
Energy: 0.4378203294507696
Energy: 0.4959535990814913
Energy: 0.4731113854977451
Energy: 0.43783934567662425
Energy: 0.4802058128928327
Energy: 0.47407139474446863
Energy: 0.4802124921359897
Energy: 0.526379440068703
Energy: 0.39071745395916385
Energy: 0.39106116532027785
Energy: 0.4872378040154505
Energy: 0.391039688806226
Energy: 0.39141203996060314
Energy: 0.4791870526056287
Energy: 0.39157031275670123
Energy: 0.4373421043135127
Energy: 0.47947567150810233
Energy: 0.4352430386295679
Energy: 0.4370591939796328
Energy: 0.48122205924580586
Energy: 0.43930161455412986
Energy: 0.4371434086292889
Energy: 0.47798780081509273
Energy: 0.4755095397789234
Energy: 0.4370282571604787
Energy: 0.5271611663604645
Energy: 0.434356294597085
Energy: 0.43450414157616274
Energy: 0.48741582173125897
Energy: 0.434609031129047
Energy: 0.44926522320794104
Energy: 0.49580114617107174
Energy: 0.43573389665998613
Energy: 0.43646896352289166
Energy: 0.47927548976752254
Energy: 0.4723803766596292
Energy: 0.47940847475718024
Energy: 0.4984267972484359
Energy: 0.4376291026248403
Energy: 0.43757555078873667
Energy: 0.4791658984105448
Energy: 0.43783848562773703
Energy: 0.43829811541072095
Energy: 0.5639444148454205
Energy: 0.4381226748981732
Energy: 0.4381127037034135
Energy: 0.44009934418352165
Energy: 0.43828438484484755
Energy: 0.4414086291556414
Energy: 0.5258083007088103
Energy: 0.4379835503142231
Energy: 0.4395364630366943
Energy: 0.4707001645005989
Energy: 0.4380293911813591
Energy: 0.471539094204162
Energy: 0.518388248756482
Energy: 0.47773900777210887
Energy: 0.43698806329166595
Energy: 0.468973639001499
Energy: 0.47832144250577424
Energy: 0.4374273103336242
Energy: 0.5644275056765451
Energy: 0.4786392202383282
Energy: 0.4794361504682409
Energy: 0.4732850097390949
Energy: 0.47950536349115774
Energy: 0.47946898041104263
Energy: 0.7022715739494769
Energy: 0.4373909841299005
Energy: 0.39102739753745674
Energy: 0.39087991956376344
Energy: 0.48599218834212676
Energy: 0.39117593158237257
Energy: 0.7103098395208306
Energy: 0.4374870999291937
Energy: 0.4373632997468105
Energy: 0.39087711327382774
Energy: 0.4770509702838681
Energy: 0.43695469391639147
Energy: 0.6255966605666308
Energy: 0.47890236673302106
Energy: 0.47708122728030616
Energy: 0.47553593431300495
Energy: 0.48121182443750554
Energy: 0.4372400392516377
Energy: 0.623485712080602
Energy: 0.49023411474143236
Energy: 0.43737771707688594
Energy: 0.4346208699865582
Energy: 0.5292761452061324
Energy: 0.4490404557682263
Energy: 0.6252517035822844
Energy: 0.4781396332668224
Energy: 0.4782898188988135
Energy: 0.4749633944461463
Energy: 0.4789432250982401
Energy: 0.4791016643264513
Energy: 0.6173470997923268
Energy: 0.43655621287040725
Energy: 0.43765413136420667
Energy: 0.43792134709843045
Energy: 0.47781379801269325
Energy: 0.43882140223445737
Energy: 0.6149072378344034
Energy: 0.4406331340224324
Energy: 0.440346237403825
Energy: 0.438773073090257
Energy: 0.439795375574581
Energy: 0.43833220298556547
Energy: 0.5645746027803463
Energy: 0.47333382099222493
Energy: 0.4709099902069174
Energy: 0.43851054011758844
Energy: 0.468600316087552
Energy: 0.43766474943598815
Energy: 0.49738038690973235
Energy: 0.4740447892657274
Energy: 0.4710444404811557
Energy: 0.47957112700764626
Energy: 0.4683104348598407
Energy: 0.43853000424511884
Energy: 0.4990497898707662
Energy: 0.47240490373366695
Energy: 0.4384099129528641
Energy: 0.4795607262223772
Energy: 0.4740559174196936
Energy: 0.4794024993388725
Energy: 0.49640838878603816
Energy: 0.39098640491883785
Energy: 0.3911302099975788
Energy: 0.43743559519830016
Energy: 0.3909064627248771
Energy: 0.39097498591737834
Energy: 0.4772139044870619
Energy: 0.39160627576944224
Energy: 0.39102253522232366
Energy: 0.47751850945140195
Energy: 0.3910544979805345
Energy: 0.4372169586695283
Energy: 0.4793103668295603
Energy: 0.4367237852010719
Energy: 0.43718779182184975
Energy: 0.47962750244325475
Energy: 0.4735008573791823
Energy: 0.4370538420640233
Energy: 0.4775887105915269
Energy: 0.4342114556824493
Energy: 0.43474958201888214
Energy: 0.4775965264537789
Energy: 0.43504868103750366
Energy: 0.4496455050007824
Energy: 0.49620047837369674
Energy: 0.47965638733581084
Energy: 0.47984539596919484
Energy: 0.47860445033260735
Energy: 0.4750237357335694
Energy: 0.47923059434695925
Energy: 0.49603833048549484
Energy: 0.43620188104320723
Energy: 0.43901430379338907
Energy: 0.47929215727501207
Energy: 0.4366341545036973
Energy: 0.43795783012119177
Energy: 0.4966410376001945
Energy: 0.4384178104367062
Energy: 0.4384394159132267
Energy: 0.4393585315586989
Energy: 0.4382841760806506
Energy: 0.4388736428143789
Energy: 0.5181055442676249
Energy: 0.4365084172344649
Energy: 0.437606092906372
Energy: 0.46909996694156053
Energy: 0.47655315928633035
Energy: 0.4370229949534099
Energy: 0.5245840036660512
Energy: 0.4793422507260314
Energy: 0.4387855121417946
Energy: 0.47133280390630145
Energy: 0.4797126514293615
Energy: 0.47165937670554337
Energy: 0.5640513870975669
Energy: 0.47763716888078234
Energy: 0.47847525045395506
Energy: 0.4732275759791833
Energy: 0.47842449394573056
Energy: 0.438880160774104
Energy: 0.7079913747031358
Energy: 0.43712843489432346
Energy: 0.390916958633737
Energy: 0.39093882092835613
Energy: 0.437454612237661
Energy: 0.390868991322675

minimum gb energy = 0.39071745395916385 eV
minimum distance =  2.70820020415533 Angstroms
sigma value = 51


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

Energy: 0.6958021869955759
Energy: 0.46123467862505557
Energy: 0.5022671202735464
Energy: 0.4654544526880565
Energy: 0.4838009776585138
Energy: 0.4257014978109425
Energy: 0.5339198350111635
Energy: 0.4567002644302384
Energy: 0.45664048832969834
Energy: 0.42664955465305027
Energy: 0.48469416705106905
Energy: 0.4341773977669537
Energy: 0.6309131686976225
Energy: 0.456240293430025
Energy: 0.43334907665893285
Energy: 0.42616263663569703
Energy: 0.456096116176128
Energy: 0.423488810051303
Energy: 0.6272430163222286
Energy: 0.4240347221875023
Energy: 0.4238202467187114
Energy: 0.4245327604354951
Energy: 0.42408008120606727
Energy: 0.4246218342645948
Energy: 0.690018599397545
Energy: 0.4728684765861904
Energy: 0.47200844826436134
Energy: 0.4536468610796107
Energy: 0.47316125139644954
Energy: 0.4716859667435687
Energy: 0.53384467326548
Energy: 0.46015686606548073
Energy: 0.45895513130982096
Energy: 0.4723957268863577
Energy: 0.47279437863034707
Energy: 0.45319820742077926
Energy: 0.5338888361974985
Energy: 0.4537513854860645
Energy: 0.4532453711184103
Energy: 0.4725641581653329
Energy: 0.45404430676378155
Energy: 0.47185721972068323
Energy: 0.543629133048791
Energy: 0.399552404719331
Energy: 0.39948945455825524
Energy: 0.44624140347819297
Energy: 0.39965133225859173
Energy: 0.3994350109390393
Energy: 0.4844441294878797
Energy: 0.3993279424807093
Energy: 0.3991843682995057
Energy: 0.45750621113415474
Energy: 0.39965300115648145
Energy: 0.42572792892398886
Energy: 0.4849467431383644
Energy: 0.4228428317027501
Energy: 0.4412019610049481
Energy: 0.48491792728164856
Energy: 0.4266707819589287
Energy: 0.45680419724340005
Energy: 0.4852645713919044
Energy: 0.42450268200556013
Energy: 0.4243667261221439
Energy: 0.4853022494392421
Energy: 0.4242205129967393
Energy: 0.4543365527612301
Energy: 0.4867997856324154
Energy: 0.4226823748980198
Energy: 0.4335941799604154
Energy: 0.48183573949380115
Energy: 0.4251778789424751
Energy: 0.45418911444229043
Energy: 0.4861403145660596
Energy: 0.4257881472704384
Energy: 0.42615137069355563
Energy: 0.45633568578768385
Energy: 0.4255652990840243
Energy: 0.4439374870788396
Energy: 0.4864573772404962
Energy: 0.4258049556056917
Energy: 0.4258544883830276
Energy: 0.4822743729104935
Energy: 0.42585625257651233
Energy: 0.42552849083088695
Energy: 0.5683541523052316
Energy: 0.4279466098319641
Energy: 0.4255077509182637
Energy: 0.4480352281658963
Energy: 0.4446711436948863
Energy: 0.4253126407848611
Energy: 0.5715467700910583
Energy: 0.43587867426773164
Energy: 0.42544855062323844
Energy: 0.4485627707906952
Energy: 0.482276478494853
Energy: 0.44755892692467353
Energy: 0.6369798120060284
Energy: 0.4828782796907362
Energy: 0.45363588179593656
Energy: 0.4257625153880828
Energy: 0.4831915238851842
Energy: 0.4360991519031693
Energy: 0.6835620562094721
Energy: 0.4619113233927682
Energy: 0.44719824856991264
Energy: 0.3986131048017345
Energy: 0.46153123395869056
Energy: 0.4473594442118673

minimum gb energy = 0.3986131048017345 eV
minimum distance =  2.67618957468395 Angstroms
sigma value = 19


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

Energy: 0.583664711611812
Energy: 0.40266199918128015
Energy: 0.38455790238202847
Energy: 0.384978477724487
Energy: 0.4254000133321624
Energy: 0.38438150905019897
Energy: 0.6127176343077166
Energy: 0.4253005719374798
Energy: 0.4253528234440866
Energy: 0.3738632142459197
Energy: 0.42526289354129176
Energy: 0.4027882075265505
Energy: 0.611528406483034
Energy: 0.4254256576068007
Energy: 0.4254737394433646
Energy: 0.3742658091037731
Energy: 0.4254770554726366
Energy: 0.4254665399119669
Energy: 0.5000162747722258
Energy: 0.4256373652865054
Energy: 0.42576917198974934
Energy: 0.4144380380688085
Energy: 0.42552785874157334
Energy: 0.40278568582694296
Energy: 0.611931331339532
Energy: 0.41633388912348634
Energy: 0.4161486222954617
Energy: 0.41655314384855957
Energy: 0.41590425086013855
Energy: 0.44019985698600944
Energy: 0.5008620159280862
Energy: 0.4141792444166498
Energy: 0.3859592489297252
Energy: 0.41558755426835403
Energy: 0.413982386928704
Energy: 0.41589224525663687
Energy: 0.5002391087814514
Energy: 0.41612720519167984
Energy: 0.41632323964348306
Energy: 0.4156885939636116
Energy: 0.38623286492656583
Energy: 0.4163773343473589
Energy: 0.4834405084468387
Energy: 0.3603594791988895
Energy: 0.36047822866204227
Energy: 0.4596456494035708
Energy: 0.3606100808948553
Energy: 0.36044917399235143
Energy: 0.4252038189441379
Energy: 0.3602949568564847
Energy: 0.3602998565790955
Energy: 0.42523290932831825
Energy: 0.36037463707095324
Energy: 0.3605360172924688
Energy: 0.4268259216300468
Energy: 0.40363600843675435
Energy: 0.4261812957091505
Energy: 0.42551100379497436
Energy: 0.3741380662059154
Energy: 0.4253920288763651
Energy: 0.4260024609324978
Energy: 0.41433483908278596
Energy: 0.38236631513745134
Energy: 0.425798324850671
Energy: 0.41431398094134214
Energy: 0.40271743999150966
Energy: 0.49978742315792135
Energy: 0.3862651156404937
Energy: 0.41596301811112657
Energy: 0.4164644002235013
Energy: 0.3736880210936628
Energy: 0.40265585521014446
Energy: 0.41406945921978455
Energy: 0.41615498402601714
Energy: 0.3858464733687239
Energy: 0.4157283372008166
Energy: 0.4157225537980329
Energy: 0.38651740380635496
Energy: 0.4999250092959738
Energy: 0.41550086773412137
Energy: 0.4166790674221166
Energy: 0.41595834197401094
Energy: 0.41556095235773655
Energy: 0.4163359471166054
Energy: 0.5798043466075625
Energy: 0.4026833090720516
Energy: 0.4025608712809695
Energy: 0.36050156801006106
Energy: 0.40251511199964046
Energy: 0.3603946459079344
Energy: 0.5806109076645372
Energy: 0.4027593190919306
Energy: 0.36062202440888363
Energy: 0.36057157756858466
Energy: 0.4252773792300626
Energy: 0.36047165547185694
Energy: 0.6124183972940138
Energy: 0.4252731779054871
Energy: 0.42544991311415514
Energy: 0.37328140605335786
Energy: 0.4270434415307208
Energy: 0.40285585559284603
Energy: 0.4996789228011135
Energy: 0.42555846865517793
Energy: 0.4255641676716482
Energy: 0.4144774863910438
Energy: 0.4256054810785199
Energy: 0.4255213581491382
Energy: 0.49903977345788697
Energy: 0.42554563462179823
Energy: 0.4255087242907374
Energy: 0.41424229048756583
Energy: 0.425527630688166
Energy: 0.42537159814463976
Energy: 0.4997365050955772
Energy: 0.4141810588073592
Energy: 0.41646050454479633
Energy: 0.4161791902770446
Energy: 0.4139948778436407
Energy: 0.4156237026211989
Energy: 0.5005386979086415
Energy: 0.3862818490088539
Energy: 0.4165558499659239
Energy: 0.4156844076006072
Energy: 0.41606841836787145
Energy: 0.41643645831974935
Energy: 0.4995031355676665
Energy: 0.402754515329159
Energy: 0.4163979150615906
Energy: 0.4157280963282397
Energy: 0.3737070415151984
Energy: 0.4161217556356872
Energy: 0.4172026098787711
Energy: 0.3605646015371545
Energy: 0.36049405198571777
Energy: 0.41715041271202324
Energy: 0.36046558662215733
Energy: 0.3843225410503931
Energy: 0.42528689179487156
Energy: 0.3736209116033677
Energy: 0.4025999624790404
Energy: 0.42526192740988505
Energy: 0.360724382496582
Energy: 0.42560720247761896
Energy: 0.42547542889187523
Energy: 0.3741730605506845
Energy: 0.4254616933816014
Energy: 0.42540357138151796
Energy: 0.37421201748684085
Energy: 0.42545677127110904
Energy: 0.4849550050457283
Energy: 0.4145730728185535
Energy: 0.41510169099347266
Energy: 0.4840885457933938
Energy: 0.41438276662872386
Energy: 0.40261906168957173
Energy: 0.49949550332496784
Energy: 0.4167367045440667
Energy: 0.4159312372140853
Energy: 0.4161733569464926
Energy: 0.4159328181882129
Energy: 0.44012705442940087
Energy: 0.41413191040411446
Energy: 0.4175942352615292
Energy: 0.41600362729155826
Energy: 0.41400018524288684
Energy: 0.4160977524263969
Energy: 0.4160072046280222
Energy: 0.49983387242877486
Energy: 0.41674008962904247
Energy: 0.41639416448954575
Energy: 0.38647301162818626
Energy: 0.415930388436915
Energy: 0.4160487146847097
Energy: 0.5796349905107563
Energy: 0.402490131875747
Energy: 0.3605182904702459
Energy: 0.3604672984228169
Energy: 0.40248884646732175
Energy: 0.36041008770297445

minimum gb energy = 0.3602949568564847 eV
minimum distance =  2.72208443186566 Angstroms
sigma value = 27


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

Energy: 0.5013847621002608
Energy: 0.42541097058764005
Energy: 0.5036751312827363
Energy: 0.355341674852082
Energy: 0.4252941519160712
Energy: 0.5832843469439425
Energy: 0.6035120012653401
Energy: 0.4255207927400357
Energy: 0.4255233065009915
Energy: 0.38835819869941673
Energy: 0.4253118500891821
Energy: 0.4257390383601037
Energy: 0.632038817661456
Energy: 0.42720459262164495
Energy: 0.4266425079945319
Energy: 0.38752084970048895
Energy: 0.428111160823772
Energy: 0.42563909529586386
Energy: 0.6335368914629026
Energy: 0.40078620535126064
Energy: 0.40082335510353584
Energy: 0.38693395296873356
Energy: 0.4006132779345424
Energy: 0.40088165733325193
Energy: 0.49799088108788675
Energy: 0.34206012863417895
Energy: 0.3882281411960859
Energy: 0.4014455724238082
Energy: 0.34202413795193465
Energy: 0.4014292139938429
Energy: 0.4253480784671759
Energy: 0.34230529217243744
Energy: 0.34239454639744377
Energy: 0.42536905950608483
Energy: 0.3425092027969123
Energy: 0.34198838435068385
Energy: 0.427862038387117
Energy: 0.39034009481571375
Energy: 0.4008424824923885
Energy: 0.4270479749662317
Energy: 0.3883686020756313
Energy: 0.4252436417133342
Energy: 0.42563773078211475
Energy: 0.39992912411179987
Energy: 0.40036098291553524
Energy: 0.4255873305794083
Energy: 0.4003208968271244
Energy: 0.4002624087118114
Energy: 0.4506507006985206
Energy: 0.400139472288712
Energy: 0.4163986999028956
Energy: 0.42542616894376367
Energy: 0.3885885250034936
Energy: 0.42571127623204863
Energy: 0.39979277965327326
Energy: 0.3613220110886451
Energy: 0.35998059654889464
Energy: 0.3903613192301963
Energy: 0.3625968093364378
Energy: 0.3601255848895702
Energy: 0.4502656784227282
Energy: 0.3900001810702038
Energy: 0.389945680576996
Energy: 0.38990428843983194
Energy: 0.4372843090256638
Energy: 0.36129885833352776
Energy: 0.7414364033831359
Energy: 0.3893949108556993
Energy: 0.3895609438828444
Energy: 0.3885858430707946
Energy: 0.3895841648854995
Energy: 0.41873078774181016

minimum gb energy = 0.34198838435068385 eV
minimum distance =  2.67986518579776 Angstroms
sigma value = 9


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

Energy: 0.8681699085287763
Energy: 0.7089432778801605
Energy: 0.45110984611240973
Energy: 0.4511622104147679
Energy: 0.36634471468011354
Energy: 0.451410864681622
Energy: 0.3856915945625045
Energy: 0.36772082361004654
Energy: 0.3674740622870487
Energy: 0.3699019552628327
Energy: 0.36764202267526114
Energy: 0.3497775470639081
Energy: 0.5033021964314405
Energy: 0.3676935105820516
Energy: 0.368062034803229
Energy: 0.3800005764048433
Energy: 0.36824775886906036
Energy: 0.3506042978896697
Energy: 0.503027102218762
Energy: 0.3496124219952131
Energy: 0.3644261881567422
Energy: 0.3690489580002398
Energy: 0.3572146508677637
Energy: 0.35384395128094664
Energy: 0.5597796314665254
Energy: 0.39044826209573513
Energy: 0.36880637890919143
Energy: 0.3771202683210419
Energy: 0.393074298651571
Energy: 0.38749981638099257
Energy: 0.37701024076505674
Energy: 0.3387916557523801
Energy: 0.37545222885463503
Energy: 0.3772957751626701
Energy: 0.35668898231278456
Energy: 0.3746554299050038
Energy: 0.37777170461343895
Energy: 0.3653733537362516
Energy: 0.377343021325476
Energy: 0.37835291036548974
Energy: 0.36784169078958795
Energy: 0.3771466339233825
Energy: 0.3775328550121623
Energy: 0.36881435990372263
Energy: 0.38920769295666136
Energy: 0.37754202691837974
Energy: 0.368060005846236
Energy: 0.3767127576436687
Energy: 0.5724713153816111
Energy: 0.37627192033430557
Energy: 0.3693532359836203
Energy: 0.3855102286102805
Energy: 0.38432235452654717
Energy: 0.35232036799522937
Energy: 0.5879785669955032
Energy: 0.37610811378382886
Energy: 0.3902956827351996
Energy: 0.3564303303367135
Energy: 0.3845346418143789
Energy: 0.3892933802872039
Energy: 0.5848211086693925
Energy: 0.37740603382094123
Energy: 0.3774089471964156
Energy: 0.3737031468344188
Energy: 0.37742121000549117
Energy: 0.3772835770566794
Energy: 0.5804989519597529
Energy: 0.3774545839474815
Energy: 0.37734650041548445
Energy: 0.3868165698073481
Energy: 0.37766994756397815
Energy: 0.37719688570273885
Energy: 0.501634489935233
Energy: 0.3773103201691913
Energy: 0.4438248249710225
Energy: 0.4212632531513095
Energy: 0.37734402268307105
Energy: 0.4432051228181047
Energy: 0.5761605232377311
Energy: 0.37731342633296233
Energy: 0.3773838725060243
Energy: 0.3772705073744819
Energy: 0.37727069982347855
Energy: 0.38939089476008
Energy: 0.36754242000679127
Energy: 0.37764062399603476
Energy: 0.3771357245015334
Energy: 0.36756754107015127
Energy: 0.37978573590525044
Energy: 0.38396491043444786
Energy: 0.3682230587619581
Energy: 0.3498002043066569
Energy: 0.36333627816478986
Energy: 0.36900432519788134
Energy: 0.3776766779286014
Energy: 0.34974331724747276
Energy: 0.3674142129021943
Energy: 0.37113836711136466
Energy: 0.3898231139578672
Energy: 0.3673290734862885
Energy: 0.38383371791495013
Energy: 0.3675200304094502
Energy: 0.3847646679316164
Energy: 0.35293185952428774
Energy: 0.38808755545552875
Energy: 0.367066678286589
Energy: 0.3778496887638872
Energy: 0.3776328905152748
Energy: 0.3841062275881823
Energy: 0.37111260967916154
Energy: 0.3327979238935234
Energy: 0.3693264046740983
Energy: 0.3513230642107468
Energy: 0.3516744392651237
Energy: 0.3846870237211392
Energy: 0.36867157330781664
Energy: 0.33444388289435645
Energy: 0.3682602024701135
Energy: 0.36819399628502447
Energy: 0.33101877335300167
Energy: 0.38363040480103655
Energy: 0.3691002500466179
Energy: 0.3516484324430266
Energy: 0.37756558402279283
Energy: 0.368658682528648
Energy: 0.35155852381690234
Energy: 0.58220322876535
Energy: 0.3669917526106919
Energy: 0.3773047448346704
Energy: 0.3889604834423253
Energy: 0.3670619636727029
Energy: 0.37519490296019636
Energy: 0.609756711853247
Energy: 0.36760300513610333
Energy: 0.3674870073947339
Energy: 0.3924618525709982
Energy: 0.3676364984615857
Energy: 0.3800909511948833
Energy: 0.5029696309736357
Energy: 0.36783550319185426
Energy: 0.36776218946576966
Energy: 0.3817019303920755
Energy: 0.36877264961058176
Energy: 0.3676370616076296
Energy: 0.5218321878221248
Energy: 0.35019656208894584
Energy: 0.37459007313665676
Energy: 0.3734569314684488
Energy: 0.36724661966635264
Energy: 0.3745068391500198
Energy: 0.38358577374886504
Energy: 0.3769623534031329
Energy: 0.3652042644356865
Energy: 0.3759017689011085
Energy: 0.37755127970974117
Energy: 0.4051321540158215
Energy: 0.44431406011188745
Energy: 0.4080583798918298
Energy: 0.4388894367817282
Energy: 0.4442936845248042
Energy: 0.42858199726106877
Energy: 0.3748324239479286
Energy: 0.37748854421958783
Energy: 0.3652616695021816
Energy: 0.3774703871372934
Energy: 0.37749710750302257
Energy: 0.38592581438820533
Energy: 0.3774204720871775
Energy: 0.37756327169786175
Energy: 0.370079279815105
Energy: 0.3902125862874906
Energy: 0.37753920004312114
Energy: 0.38431537800767684
Energy: 0.3773769378661766
Energy: 0.5583226328547848
Energy: 0.3683814329492316
Energy: 0.35192334290804567
Energy: 0.3970609588229346
Energy: 0.3682763926349032
Energy: 0.3898836459468895
Energy: 0.5854320019697697
Energy: 0.3852703382487411
Energy: 0.41172161836961707
Energy: 0.37451267396165416
Energy: 0.38496653354795857
Energy: 0.4063489369302215
Energy: 0.5892865075560693
Energy: 0.37830665408661857
Energy: 0.3779480649140219
Energy: 0.3560167592544421
Energy: 0.3780290586893152
Energy: 0.38935890493768205
Energy: 0.4784208192922275
Energy: 0.3773859154548349
Energy: 0.3773910440530893
Energy: 0.38540338953577796
Energy: 0.37844813439081626
Energy: 0.37720016974098936
Energy: 0.587852031034252
Energy: 0.37723971090317704
Energy: 0.3772861964781952
Energy: 0.37642188674682553
Energy: 0.3772084931169576
Energy: 0.37725419511718317
Energy: 0.5872444647424445
Energy: 0.3773740383753523
Energy: 0.4051423267152026
Energy: 0.38303445490660354
Energy: 0.37761726891365127
Energy: 0.3660550622587765
Energy: 0.3882488809768745
Energy: 0.37754600039116065
Energy: 0.33195792805471747
Energy: 0.36873510588260583
Energy: 0.37909870232956294
Energy: 0.3569753297676707
Energy: 0.3680566935938945
Energy: 0.35136857263014226
Energy: 0.3575925803877345
Energy: 0.3686832381294336
Energy: 0.3778831490108501
Energy: 0.3496152012053152
Energy: 0.367605316207354
Energy: 0.36989513456802736
Energy: 0.35089247393386436
Energy: 0.36754315744998484
Energy: 0.3695267782099774
Energy: 0.36734867789782805
Energy: 0.3670777420948463
Energy: 0.40459874207030866
Energy: 0.4424790762222101
Energy: 0.3673904704574943
Energy: 0.4219539755129999
Energy: 0.3834414785765239
Energy: 0.383226576949058
Energy: 0.3699686519470116
Energy: 0.3697095515783579
Energy: 0.36771043829276034
Energy: 0.3692099699758877
Energy: 0.367308817532098
Energy: 0.3842419144791472
Energy: 0.3337928095834753
Energy: 0.33701715735235
Energy: 0.3680528098729794
Energy: 0.3683361758607183
Energy: 0.35146844075133665
Energy: 0.3834671335856192
Energy: 0.369062077453231
Energy: 0.3698296497358844
Energy: 0.3493362810035642
Energy: 0.36846394838872265
Energy: 0.34999934160996443
Energy: 0.6084106099025793
Energy: 0.36753832730128233
Energy: 0.3670619011719795
Energy: 0.39173219084815974
Energy: 0.3674098345061569
Energy: 0.39145535759302885

minimum gb energy = 0.33101877335300167 eV
minimum distance =  2.63906082167716 Angstroms
sigma value = 57


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

Energy: 0.30152220546799596
Energy: 0.3154891168857058
Energy: 0.1792256761692495
Energy: 0.165658162947613
Energy: 0.3290217608723117
Energy: 0.2777731805356467
Energy: 0.4176788548027751
Energy: 0.3205673194098484
Energy: 0.3228257963017779
Energy: 0.3194581271808632
Energy: 0.3214994554928814
Energy: 0.34307260647758725
Energy: 0.41039503706698666
Energy: 0.39032124008830044
Energy: 0.323174006197655
Energy: 0.31623670589225233
Energy: 0.32062542234712754
Energy: 0.40283672923974445
Energy: 0.4034284143454818
Energy: 0.39382494813021895
Energy: 0.3735220058234244
Energy: 0.36471880498792836
Energy: 0.368588765787227
Energy: 0.3768338570428121
Energy: 0.38735442228074457
Energy: 0.22964583854554768
Energy: 0.2293545783532027
Energy: 0.3783201194283164
Energy: 0.16458459622406132
Energy: 0.3642650709984833
Energy: 0.3892992115656247
Energy: 0.23666806433878051
Energy: 0.23870190759131582
Energy: 0.38831563082572534
Energy: 0.16440572655812424
Energy: 0.17865187375762248
Energy: 0.38904931259554587
Energy: 0.377726335450869
Energy: 0.3812079889878887
Energy: 0.3918687314774392
Energy: 0.36767183501259787
Energy: 0.3742489313856567
Energy: 0.3917240077675969
Energy: 0.39457244791471596
Energy: 0.4069349944021735
Energy: 0.3860296462312551
Energy: 0.3726680111022011
Energy: 0.3905953740880996
Energy: 0.3959339033427001
Energy: 0.38789573206757444
Energy: 0.3854712765019014
Energy: 0.39476068029335937
Energy: 0.39500903556177597
Energy: 0.3942596836730804
Energy: 0.16442801085113282
Energy: 0.4061296162246791
Energy: 0.17938325488908052
Energy: 0.1644047571426171
Energy: 0.4094916388507772
Energy: 0.16522088826143477
Energy: 0.1643597311627559
Energy: 0.3934051350467365
Energy: 0.4006326447711794
Energy: 0.16440740127184436
Energy: 0.39053443246759373
Energy: 0.17981605423976682
Energy: 0.4020962241243635
Energy: 0.3945309897990399
Energy: 0.38637992143908045
Energy: 0.3786838889291996
Energy: 0.3880294030709148
Energy: 0.38010840410248276
Energy: 0.40687083463059454
Energy: 0.374514111387237
Energy: 0.38512851025696304
Energy: 0.38762431352662186
Energy: 0.3966038918360071
Energy: 0.4145265334573873
Energy: 0.4028748887992881
Energy: 0.37276694580786707
Energy: 0.38486920862050533
Energy: 0.3884080408591188
Energy: 0.37224035100533576
Energy: 0.38203063179903585
Energy: 0.36259686143639314
Energy: 0.16448022198175966
Energy: 0.16448610900406152
Energy: 0.362428021589641
Energy: 0.23426755368513402
Energy: 0.22813890222218058
Energy: 0.36805823964323353
Energy: 0.35409620689788
Energy: 0.367503563412299
Energy: 0.37304719670791076
Energy: 0.2333714646884935
Energy: 0.376338816578887
Energy: 0.37936964257937067
Energy: 0.3676448689818227
Energy: 0.35944393921248396
Energy: 0.3648791560275595
Energy: 0.3949283082223676
Energy: 0.3798825668093749
Energy: 0.4106566512688659
Energy: 0.3308504873836708
Energy: 0.3217793354166543
Energy: 0.3138349084636831
Energy: 0.32082742299052824
Energy: 0.3206833054722431
Energy: 0.3017623536429991
Energy: 0.3206615234325753
Energy: 0.32243896510694803
Energy: 0.1644438101288214
Energy: 0.32196955093730206
Energy: 0.3140045768307849

minimum gb energy = 0.1643597311627559 eV
minimum distance =  2.66265309165442 Angstroms
sigma value = 11


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

Energy: 0.57109016374601
Energy: 0.3370510223403772
Energy: 0.3581443248730206
Energy: 0.40534407741697975
Energy: 0.3365110349128079
Energy: 0.35914522512558394
Energy: 0.4186249915504375
Energy: 0.3493629056077074
Energy: 0.3389774392509524
Energy: 0.3442829705639979
Energy: 0.3338100566926039
Energy: 0.33439127389040635
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Energy: 0.33244366922176843
Energy: 0.335820999411698
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Energy: 0.3375469201298564
Energy: 0.33504983381216863
Energy: 0.33373066706406773
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Energy: 0.33580120163360333
Energy: 0.33921080626664724
Energy: 0.3362116934147509
Energy: 0.33285656447844386
Energy: 0.3408919593652771
Energy: 0.3278662461218745
Energy: 0.3471121728097528
Energy: 0.3708270264015991
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Energy: 0.35051183901141625
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Energy: 0.35774734831366534
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Energy: 0.3411709288735424
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Energy: 0.38258186352050944
Energy: 0.4059779764000966
Energy: 0.34417032211428067
Energy: 0.3816187381487276
Energy: 0.3286291976266119
Energy: 0.5548408285002991
Energy: 0.3450118756048783
Energy: 0.34209490766981926
Energy: 0.3610194859672495
Energy: 0.343142304158265
Energy: 0.34238302727568315
Energy: 0.5021752703401434
Energy: 0.44808428714998566
Energy: 0.3518285503248769
Energy: 0.3882102661690034
Energy: 0.4358327735900673
Energy: 0.31823075665373407
Energy: 0.5529229524985699
Energy: 0.3415189677298873
Energy: 0.3440943816376777
Energy: 0.3729115474165892
Energy: 0.3409819671512469
Energy: 0.3449430302995334
Energy: 0.5279404287383415
Energy: 0.34685983624209504
Energy: 0.3477022724565703
Energy: 0.34730074964836516
Energy: 0.3525899720977559
Energy: 0.3339920732465037
Energy: 0.4280477008586955
Energy: 0.4820484991784673
Energy: 0.33960914102112905
Energy: 0.33367511164067515
Energy: 0.3990424823449139
Energy: 0.3327681098055823
Energy: 0.5321110560924428
Energy: 0.342012002318367
Energy: 0.3466629832466971
Energy: 0.34106773772408866
Energy: 0.36587696330825376
Energy: 0.34066648089671836
Energy: 0.34259792228357544
Energy: 0.44267216810346105
Energy: 0.32108915588432935
Energy: 0.3323946105382753
Energy: 0.319938805215039
Energy: 0.44727443770604003
Energy: 0.3451205105701657
Energy: 0.3449520153551481
Energy: 0.3422935518650459
Energy: 0.3442328280666654
Energy: 0.35514994976068043
Energy: 0.33188319947129297
Energy: 0.3454735421145664
Energy: 0.33423804473792174
Energy: 0.3337588756882874
Energy: 0.34650015245247506
Energy: 0.33477157871254765
Energy: 0.3324863935973897
Energy: 0.3403225924831815
Energy: 0.336628503257801
Energy: 0.33524864688183137
Energy: 0.3392713418821206
Energy: 0.3361482205589944
Energy: 0.33623003922568956
Energy: 0.554243138119456
Energy: 0.3594001675085005
Energy: 0.333331417206297
Energy: 0.3809616800964956
Energy: 0.34661005909308196
Energy: 0.31502400705851286

minimum gb energy = 0.3103973965200072 eV
minimum distance =  2.69298974214204 Angstroms
sigma value = 41


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

Energy: 0.7149554980373363
Energy: 0.3745848632264227
Energy: 0.43168997074133725
Energy: 0.49042885873155956
Energy: 0.3753245643618305
Energy: 0.49056790009231604
Energy: 0.49093846844559796
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Energy: 0.3679185865389526
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Energy: 0.3704309273008899
Energy: 0.3575925612809487
Energy: 0.3698774534814593
Energy: 0.3607709454271372
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Energy: 0.37043371101209893
Energy: 0.3660639046501838
Energy: 0.35656159831783807
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Energy: 0.36205745016638424
Energy: 0.36023898709031116
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Energy: 0.3593701241192465
Energy: 0.5015794663016239
Energy: 0.3560063006246476
Energy: 0.3624999344921319
Energy: 0.37212840692757804
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Energy: 0.37512446115184894
Energy: 0.3574947960798356
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Energy: 0.37271653542634275
Energy: 0.3444230037078496
Energy: 0.37754555289614494
Energy: 0.3354004982284207
Energy: 0.5020671857782025
Energy: 0.3680884852048046
Energy: 0.36792152467081507
Energy: 0.36658484565332666
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Energy: 0.3831336714089411
Energy: 0.369187624355025
Energy: 0.3796038062652986
Energy: 0.38225013050329476
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Energy: 0.36414570103158844
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Energy: 0.3694330866434537
Energy: 0.3705190428618396
Energy: 0.37106431502027454
Energy: 0.5544240092750311
Energy: 0.34171366143773446
Energy: 0.3431859410304189
Energy: 0.3703482131727745
Energy: 0.3329285670436713
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Energy: 0.3815576090291449
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Energy: 0.4148181046144673
Energy: 0.4126186870340442
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Energy: 0.37114175462892296
Energy: 0.35669381609020623
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Energy: 0.3431341251884929
Energy: 0.33254233531933236
Energy: 0.3700151617734267
Energy: 0.40463322412758446
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Energy: 0.3440820476542557
Energy: 0.3702900044439904
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Energy: 0.3615898618560621
Energy: 0.37030150043867466
Energy: 0.3713248575906763
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Energy: 0.369018107810939
Energy: 0.35249854401158304
Energy: 0.35631616475976846
Energy: 0.37029161394161575
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Energy: 0.35699436560047826
Energy: 0.35905311949616525
Energy: 0.3731676653085688
Energy: 0.3578693687646566
Energy: 0.3580145834753962
Energy: 0.474985433532165
Energy: 0.37622590602942313
Energy: 0.4347994141987955
Energy: 0.4744773887802083
Energy: 0.3762734966228559
Energy: 0.4432204104778876
Energy: 0.5018253163703519
Energy: 0.3692612649820038
Energy: 0.3582100320875194
Energy: 0.3733449044682137
Energy: 0.3577234461983286
Energy: 0.3569950357740989
Energy: 0.4189465368520133
Energy: 0.41348810727819546
Energy: 0.4240678798391796
Energy: 0.3444852025532726
Energy: 0.4144555974817879
Energy: 0.33545947110833496
Energy: 0.507721718385469
Energy: 0.37028021242859355
Energy: 0.35865596237762326
Energy: 0.37405127680306366
Energy: 0.37214158957136123
Energy: 0.3600019548191957
Energy: 0.5070466423305479
Energy: 0.3662459660700213
Energy: 0.3778016182040259
Energy: 0.37021822291497586
Energy: 0.37383370583150244
Energy: 0.3703811522061149
Energy: 0.5070273226835569
Energy: 0.36465540765818216
Energy: 0.3810429987272385
Energy: 0.36898996808798296
Energy: 0.3706800288037652
Energy: 0.3848504218836039
Energy: 0.6182450351268575
Energy: 0.3433277820323315
Energy: 0.36996259344875876
Energy: 0.371616189699072
Energy: 0.3422916712806752
Energy: 0.3708240477465794
Energy: 0.382315262475551
Energy: 0.3436545497946562
Energy: 0.3436656354484818
Energy: 0.3797961917787662
Energy: 0.37189115914271786
Energy: 0.3435022821772224
Energy: 0.38087497930196834
Energy: 0.3637572005258935
Energy: 0.3706467616192216
Energy: 0.3804998899289848
Energy: 0.3721812331410626
Energy: 0.3700779718197004
Energy: 0.37715071212378737
Energy: 0.37480375441538527
Energy: 0.36109326140193954
Energy: 0.37380612948796915
Energy: 0.3621205256094634
Energy: 0.3636618701954875
Energy: 0.4928951161859451
Energy: 0.3665772336490468
Energy: 0.3561036057760332
Energy: 0.37807201655127104
Energy: 0.3717605822908146
Energy: 0.36237755838551455
Energy: 0.6162595291675038
Energy: 0.3665916768985137
Energy: 0.346181613629286
Energy: 0.3331170047021377
Energy: 0.3651341863925329
Energy: 0.3774936820820779

minimum gb energy = 0.33254233531933236 eV
minimum distance =  2.63261741379807 Angstroms
sigma value = 33


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

Energy: 0.4759558701477724
Energy: 0.7788180752555431
Energy: 0.6008072194533349
Energy: 0.47102395352294985
Energy: 0.7773955288297001
Energy: 0.6009012428827908
Energy: 0.4066568764718381
Energy: 0.38478925231657496
Energy: 0.3846151248639487
Energy: 0.38020293058683335
Energy: 0.4088789307013222
Energy: 0.3866165875502474
Energy: 0.40536752147446364
Energy: 0.3716696961694407
Energy: 0.3702123361098795
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Energy: 0.4054804983453814
Energy: 0.37536274303917555
Energy: 0.37290447644043156
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Energy: 0.37204475282585114
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Energy: 0.4061745096641199
Energy: 0.3806460384560659
Energy: 0.37556825884283235
Energy: 0.4148805593505466
Energy: 0.38537752110382645
Energy: 0.37659125669606125
Energy: 0.46786734512930217
Energy: 0.3820838147483554
Energy: 0.3804672119134831
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Energy: 0.4019816800387175
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Energy: 0.3732664227314508
Energy: 0.47652577918859373
Energy: 0.3772288623795032
Energy: 0.3577752915078993
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Energy: 0.38703135516837756
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Energy: 0.4808374063063975
Energy: 0.4810142588339176
Energy: 0.4808879457850419
Energy: 0.5474366867211617
Energy: 0.383789046164456
Energy: 0.3821336000717921
Energy: 0.38771340848380675
Energy: 0.41686359228652087
Energy: 0.4031892136295573
Energy: 0.7148855128374763
Energy: 0.40557420547228945
Energy: 0.36958299240184816
Energy: 0.3601196484494924
Energy: 0.5355255816256478
Energy: 0.4017654233716202

minimum gb energy = 0.3574255906919941 eV
minimum distance =  2.66765023127498 Angstroms
sigma value = 67


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

Energy: 0.5605022896397701
Energy: 0.6369846366903799
Energy: 0.37217029631527815
Energy: 0.3722413336380506
Energy: 0.6378519636417173
Energy: 0.372273268067485
Energy: 0.4370227729279941
Energy: 0.40541524852512734
Energy: 0.40579315258611537
Energy: 0.4044724877384736
Energy: 0.4448255865995622
Energy: 0.40457636034050554
Energy: 0.44159607790151467
Energy: 0.3676098086799903
Energy: 0.38742316545515393
Energy: 0.3870378616948339
Energy: 0.369375463605212
Energy: 0.3871758842471444
Energy: 0.4411623626644305
Energy: 0.3933294353084243
Energy: 0.39269698515819523
Energy: 0.3898598701749798
Energy: 0.3887536386341492
Energy: 0.39277407581245427
Energy: 0.4389229561788009
Energy: 0.40458279361081656
Energy: 0.4051603826435788
Energy: 0.438847288064204
Energy: 0.4068957641559656
Energy: 0.40624313212876817
Energy: 0.437913127075289
Energy: 0.38380521116914085
Energy: 0.4058076730637198
Energy: 0.4382837631424196
Energy: 0.38191732149411645
Energy: 0.4399760481423342
Energy: 0.494210077023423
Energy: 0.4055259982342563
Energy: 0.4060925819335636
Energy: 0.4511391799060565
Energy: 0.44291009095468936
Energy: 0.4058868725569202

minimum gb energy = 0.3676098086799903 eV
minimum distance =  2.71906635063571 Angstroms
sigma value = 3


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

Energy: 0.6832410138133749
Energy: 0.7469863671527918
Energy: 0.5110155844498148
Energy: 0.4657690306391564
Energy: 0.7456442446261836
Energy: 0.5120674457910602
Energy: 0.4381607217047613
Energy: 0.4758800614947024
Energy: 0.4541845203053539
Energy: 0.4564568179182676
Energy: 0.5195425480294381
Energy: 0.4501431914830024
Energy: 0.48831609470745224
Energy: 0.43712409311828165
Energy: 0.44752928457296814
Energy: 0.4887640681542525
Energy: 0.43733799160206843
Energy: 0.45043654665873223
Energy: 0.43858021098987454
Energy: 0.4383102381531736
Energy: 0.4377539719901445
Energy: 0.4397337162832794
Energy: 0.4421405036057179
Energy: 0.4378652069526706
Energy: 0.4435298731911078
Energy: 0.4571465837672467
Energy: 0.4562875451457314
Energy: 0.44369821894890066
Energy: 0.4561151995072506
Energy: 0.4569680233489984
Energy: 0.47104800274617514
Energy: 0.46560965154425876
Energy: 0.47056258712712373
Energy: 0.4835026665908854
Energy: 0.452998179647212
Energy: 0.46895755957625646
Energy: 0.4405222328444691
Energy: 0.4824698548176412
Energy: 0.4836447597072679
Energy: 0.4703959653383589
Energy: 0.5179933334028651
Energy: 0.4701578078948555
Energy: 0.5729800351907682
Energy: 0.464121421902508
Energy: 0.48938711425389175
Energy: 0.4439824638349413
Energy: 0.46461113262100007
Energy: 0.5137022291613448
Energy: 0.47413247147519616
Energy: 0.5017302217575819
Energy: 0.4696989183186042
Energy: 0.5107326011204151
Energy: 0.5000822180901019
Energy: 0.4690630890684275
Energy: 0.5221083006535966
Energy: 0.4448824042524372
Energy: 0.4451320076425883
Energy: 0.4872060316852226
Energy: 0.4442985373559087
Energy: 0.45270761649556296
Energy: 0.506872709080591
Energy: 0.45762881895124635
Energy: 0.46832817077246447
Energy: 0.4963982279916685
Energy: 0.45736643964867774
Energy: 0.472767824492867
Energy: 0.5110004767411642
Energy: 0.46593570455506844
Energy: 0.4677509320944156
Energy: 0.4816334186813508
Energy: 0.47909463789256496
Energy: 0.4689619650043759
Energy: 0.49773776286532717
Energy: 0.4408131156562775
Energy: 0.4688773640129113
Energy: 0.46729324554758156
Energy: 0.44694133359902755
Energy: 0.46942159337745426
Energy: 0.49592976854329224
Energy: 0.44252632679697673
Energy: 0.4375157355867018
Energy: 0.47170669442713603
Energy: 0.4395832284885583
Energy: 0.43734646425902585
Energy: 0.5240438628866989
Energy: 0.44055103193363954
Energy: 0.44011021721669
Energy: 0.4605600680154708
Energy: 0.44032073189673776
Energy: 0.48540468600994097
Energy: 0.5489187791373961
Energy: 0.4531920240413189
Energy: 0.4486523850137223
Energy: 0.46246388542831535
Energy: 0.44975186814615226
Energy: 0.4485356124571997
Energy: 0.565296887318638
Energy: 0.45267235700312125
Energy: 0.4741749767795403
Energy: 0.5361704472291559
Energy: 0.45255077376372127
Energy: 0.4518200173631889
Energy: 0.5200411790969268
Energy: 0.4594597046999771
Energy: 0.46276778585792
Energy: 0.4856906371577122
Energy: 0.4757195835954145
Energy: 0.4629132540023734
Energy: 0.5976231149304047
Energy: 0.45154940660394516
Energy: 0.4541662677410418
Energy: 0.4442567373864681
Energy: 0.502995499844143
Energy: 0.4444813653836474
Energy: 0.547956775004989
Energy: 0.4652976458711365
Energy: 0.4685757453667496
Energy: 0.4443431010169943
Energy: 0.47108921676011334
Energy: 0.44440680272896854
Energy: 0.4755727091012739
Energy: 0.4631681087948989
Energy: 0.46169002523503977
Energy: 0.4816585705028713
Energy: 0.46869570540386174
Energy: 0.474648385967388
Energy: 0.47085719934156106
Energy: 0.4813676511504397
Energy: 0.4743840526017081
Energy: 0.4714153613278707
Energy: 0.4734401502666684
Energy: 0.47500123123451077
Energy: 0.4704763504475589
Energy: 0.4778671587809186
Energy: 0.47393669485148
Energy: 0.47219381640045827
Energy: 0.48777851012059625
Energy: 0.47882461786656016
Energy: 0.4721603183748537
Energy: 0.4390644483604759
Energy: 0.4646832791368291
Energy: 0.4725916356590169
Energy: 0.4389597213726787
Energy: 0.47176750102674087
Energy: 0.4363432551238696
Energy: 0.4567819697753804
Energy: 0.456274372681426
Energy: 0.45862802822649296
Energy: 0.4565408296301877
Energy: 0.4613516225430273
Energy: 0.7120779685855575
Energy: 0.44154172961972277
Energy: 0.4901237804193121
Energy: 0.45578163333024
Energy: 0.5214182322908387
Energy: 0.45573568671238146
Energy: 0.611807254439581
Energy: 0.5192199375645803
Energy: 0.47014864678878227
Energy: 0.4564650179891756
Energy: 0.5481521734303163
Energy: 0.4557150741476241
Energy: 0.4370941334146668
Energy: 0.4567069738220849
Energy: 0.4420963901542568
Energy: 0.4572108685493464
Energy: 0.45731604004609777
Energy: 0.4603735384393903
Energy: 0.4465414077304834
Energy: 0.43760806884788955
Energy: 0.43601222256672906
Energy: 0.4465630791391683
Energy: 0.43776990683636785
Energy: 0.4444815137313214
Energy: 0.444739387620464
Energy: 0.4547084824500501
Energy: 0.45135372949365477
Energy: 0.44588001300088975
Energy: 0.5068061296325227
Energy: 0.446275955789594
Energy: 0.44605159661886656
Energy: 0.45541340141024317
Energy: 0.4549438012892558
Energy: 0.4569871944996949
Energy: 0.46536649051136
Energy: 0.4542632445780898
Energy: 0.44789703037988704
Energy: 0.47341320476905985
Energy: 0.47151118935726405
Energy: 0.4690948429919703
Energy: 0.5141983570755477
Energy: 0.46854586405179277
Energy: 0.5727830905939141
Energy: 0.5048168577896954
Energy: 0.4432233401993897
Energy: 0.4378970433175376
Energy: 0.5039501027500654
Energy: 0.4548047533852567
Energy: 0.5981029111439022
Energy: 0.4648282580609286
Energy: 0.4658786710946867
Energy: 0.45275147347278116
Energy: 0.5060576420905214
Energy: 0.46753568056618633
Energy: 0.4671780308551687
Energy: 0.4577142321471673
Energy: 0.468589397362135
Energy: 0.4708465135421581
Energy: 0.4573365957716132
Energy: 0.4670507313627841
Energy: 0.5172072118294019
Energy: 0.44446069082997414
Energy: 0.44665069421927367
Energy: 0.509323455824161
Energy: 0.44404725233135267
Energy: 0.4759988251073945
Energy: 0.5181309853042504
Energy: 0.46869093998570005
Energy: 0.4678220193086506
Energy: 0.48820017475214467
Energy: 0.467426051819378
Energy: 0.4834554395184548
Energy: 0.5732108673938563
Energy: 0.47824122649859
Energy: 0.480104538488875
Energy: 0.46837692392494495
Energy: 0.47512530173413015
Energy: 0.4725431974616093
Energy: 0.48281972823983504
Energy: 0.44496941266403883
Energy: 0.43974282415754756
Energy: 0.48772794011987697
Energy: 0.4417337508797215
Energy: 0.44037571081248905
Energy: 0.5236901012887529
Energy: 0.439259821393923
Energy: 0.4391007220327274
Energy: 0.46024661656009663
Energy: 0.4453593756829393
Energy: 0.43902055713575455
Energy: 0.5592519258761365
Energy: 0.4527797968280281
Energy: 0.4549881255142442
Energy: 0.45040985821207663
Energy: 0.48549018836782126
Energy: 0.4461194462527097
Energy: 0.5745853770411787
Energy: 0.487564910760312
Energy: 0.4699395408019331
Energy: 0.5637060069862806
Energy: 0.452876453805968
Energy: 0.4636200855180919
Energy: 0.5555977463899173
Energy: 0.45238990486870506
Energy: 0.45312651236860985
Energy: 0.48412238482708053
Energy: 0.45240487320084394
Energy: 0.4458898844017713
Energy: 0.5591055918504394
Energy: 0.45194479158909256
Energy: 0.44604113923291905
Energy: 0.45330907280692395
Energy: 0.4614235355388136
Energy: 0.44979492574492874
Energy: 0.6716756572354857
Energy: 0.46405312444785934
Energy: 0.4652724150109066
Energy: 0.4710139270976788
Energy: 0.46402195490658715
Energy: 0.46721993660322503
Energy: 0.46463243670858795
Energy: 0.4658293050188772
Energy: 0.47151947580484593
Energy: 0.466430518747332
Energy: 0.465458111878547
Energy: 0.4673646616343841
Energy: 0.46440869418594255
Energy: 0.47839850929474453
Energy: 0.47674317049512216
Energy: 0.47485236190357805
Energy: 0.46548452347080693
Energy: 0.47576715577540873
Energy: 0.46767861286872037
Energy: 0.47666611394319536
Energy: 0.4743377464716599
Energy: 0.4683539117027127
Energy: 0.48166417179962706
Energy: 0.4719203500684107
Energy: 0.4675388954492695
Energy: 0.43697219337877263
Energy: 0.449749711686198
Energy: 0.46798011990441124
Energy: 0.438137356887752
Energy: 0.4502406889871738
Energy: 0.48869850246504715
Energy: 0.43870988994984383
Energy: 0.4445474366583509
Energy: 0.4901128750334507
Energy: 0.43795524821018317
Energy: 0.45076082394875877
Energy: 0.508128188728276
Energy: 0.4789050145588248
Energy: 0.4638950633228143
Energy: 0.47257810502635283
Energy: 0.5010021333505876
Energy: 0.4720176008315881

minimum gb energy = 0.43601222256672906 eV
minimum distance =  2.62832161044866 Angstroms
sigma value = 81


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

Energy: 0.9798931809896314
Energy: 0.5087118753651552
Energy: 0.4787065611132202
Energy: 0.4768666460169654
Energy: 0.5249709844341776
Energy: 0.4786047830011135
Energy: 0.44634757539927894
Energy: 0.4561905382188645
Energy: 0.459997136883358
Energy: 0.44954030976367787
Energy: 0.45675970914669456
Energy: 0.4612168524890608
Energy: 0.49600954088565846
Energy: 0.45657591017555504
Energy: 0.45047411652822245
Energy: 0.4750515160784067
Energy: 0.449707397518803
Energy: 0.47040399761951324
Energy: 0.44723845056616846
Energy: 0.4553071819009847
Energy: 0.4682021262391505
Energy: 0.44768266700406417
Energy: 0.4475901920589646
Energy: 0.44621812284208556
Energy: 0.4483702318260742
Energy: 0.45983429363200945
Energy: 0.46271193388161125
Energy: 0.4443707006662934
Energy: 0.4593595534841963
Energy: 0.44973624308484594
Energy: 0.47578033955582216
Energy: 0.45686255369896905
Energy: 0.45898701200092934
Energy: 0.46866847765843334
Energy: 0.45778384369599756
Energy: 0.4623717975650493
Energy: 0.45435521256023004
Energy: 0.4521485584212734
Energy: 0.441987400908351
Energy: 0.4479460562975052
Energy: 0.44158227869112227
Energy: 0.4512605646910227
Energy: 0.567261733403818
Energy: 0.5490657485683517
Energy: 0.5494121713538348
Energy: 0.4342805720016446
Energy: 0.48664931392950456
Energy: 0.443156235664279
Energy: 0.506622448490332
Energy: 0.45316513653048945
Energy: 0.4515878528696225
Energy: 0.4596407419059532
Energy: 0.4439879214681766
Energy: 0.45365654722630844
Energy: 0.478787836213797
Energy: 0.4475054982039281
Energy: 0.43722509961175066
Energy: 0.4474765917971753
Energy: 0.4475402997558915
Energy: 0.4416488562550239
Energy: 0.4805665240206354
Energy: 0.4521346283056017
Energy: 0.44787478345493137
Energy: 0.4689197029591995
Energy: 0.45345073215671056
Energy: 0.44766646468773785
Energy: 0.4881217636416434
Energy: 0.4609966973683848
Energy: 0.4606377405695402
Energy: 0.44019789021300687
Energy: 0.47138277772840015
Energy: 0.4617599202030337
Energy: 0.4918440543328153
Energy: 0.44014665159238725
Energy: 0.46294313955890287
Energy: 0.45653131888606086
Energy: 0.44312634513033766
Energy: 0.4509440089954382
Energy: 0.44451214104484477
Energy: 0.45177254822831847
Energy: 0.44987657692344757
Energy: 0.4396359659676449
Energy: 0.44104883236258247
Energy: 0.45063019290692663
Energy: 0.5210001811056149
Energy: 0.46285021249852726
Energy: 0.47875014237910335
Energy: 0.45943591945131085
Energy: 0.46256055332948415
Energy: 0.45962342270630874
Energy: 0.44316699491622574
Energy: 0.4601321094859561
Energy: 0.4601893615183942
Energy: 0.4439512819502771
Energy: 0.4515226337824069
Energy: 0.46067062069079245
Energy: 0.5308613257044654
Energy: 0.43324656263758266
Energy: 0.44202903536513255
Energy: 0.489849940627827
Energy: 0.4332057167589531
Energy: 0.4421934919327799
Energy: 0.4301580190655794
Energy: 0.44505767841819954
Energy: 0.45645696467636787
Energy: 0.4301312852393869
Energy: 0.444707554448143
Energy: 0.45668978869173665
Energy: 0.5140177342273476
Energy: 0.47415834210524915
Energy: 0.4770314783772505
Energy: 0.46630225875815967
Energy: 0.47386999309765293
Energy: 0.4558831916918318
Energy: 0.5145452858954832
Energy: 0.47423673754387474
Energy: 0.47706908852562957
Energy: 0.45777295097341286
Energy: 0.4743246396958486
Energy: 0.4559323876630778
Energy: 0.43000081428691966
Energy: 0.46762887891408844
Energy: 0.44684990908244165
Energy: 0.43016915605534983
Energy: 0.44080372718963395
Energy: 0.464280233713449
Energy: 0.45483630325660257
Energy: 0.45765754260421715
Energy: 0.47141116206132805
Energy: 0.4761552485821361
Energy: 0.4573580042347036
Energy: 0.47202739989972153
Energy: 0.4416575779320422
Energy: 0.4734518067205398
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Energy: 0.4424758087904277
Energy: 0.4542903161277188
Energy: 0.4521065128358674
Energy: 0.4396196631065225
Energy: 0.46465304095236065
Energy: 0.45387630136437146
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Energy: 0.47873647136025543
Energy: 0.45455659141597293
Energy: 0.44000786863239955
Energy: 0.4613269005601298
Energy: 0.46135656642211387
Energy: 0.4386388282176066
Energy: 0.45427563731091825
Energy: 0.4598074111926894
Energy: 0.5661505961163602
Energy: 0.4777553624920075
Energy: 0.49324289246720127
Energy: 0.4326146529511107
Energy: 0.47878383417955517
Energy: 0.4561195569975705
Energy: 0.5675759842139543
Energy: 0.5050975413661831
Energy: 0.45135243488518856
Energy: 0.4225444136999709
Energy: 0.4762156045759533
Energy: 0.4545934965111948
Energy: 0.483304009770552
Energy: 0.4526929897715252
Energy: 0.4509339640624969
Energy: 0.4688923344652542
Energy: 0.4526250683046925
Energy: 0.4478713736306404
Energy: 0.4901122093716917
Energy: 0.43748262656931247
Energy: 0.4443475516377152
Energy: 0.46410939777812976
Energy: 0.4472316145436065
Energy: 0.4418697163148866
Energy: 0.5080529897385165
Energy: 0.4612272724739844
Energy: 0.45580939204360366
Energy: 0.4608918418349411
Energy: 0.443663827788334
Energy: 0.45613043419006455
Energy: 0.49195615235986445
Energy: 0.46920389568799925
Energy: 0.4691635419553342
Energy: 0.45708395698340404
Energy: 0.46926549259034905
Energy: 0.4717776435541558
Energy: 0.4585365159425
Energy: 0.4405850826269617
Energy: 0.4268946672435448
Energy: 0.45757402174243594
Energy: 0.43921130204654935
Energy: 0.44033129206078214
Energy: 0.5255620250245295
Energy: 0.4509907952657828
Energy: 0.45927257425809387
Energy: 0.46965265431485664
Energy: 0.4467541066707718
Energy: 0.4647662959907908
Energy: 0.5243839952047478
Energy: 0.46404117045769944
Energy: 0.4649996983178463
Energy: 0.45904668621052735
Energy: 0.4605942869684745
Energy: 0.46332092750854464
Energy: 0.44919555783551335
Energy: 0.45648560264542803
Energy: 0.4622073131338801
Energy: 0.4713168531899605
Energy: 0.4223079165855306
Energy: 0.46188265224835584
Energy: 0.5287680267763073
Energy: 0.4328667891720369
Energy: 0.4326376866462367
Energy: 0.483676236080216
Energy: 0.4330416212990631
Energy: 0.4974189919716001
Energy: 0.4470724436170756
Energy: 0.45573319028226406
Energy: 0.4585183760739787
Energy: 0.4489217893849869
Energy: 0.45627611897718573
Energy: 0.4582882800457777
Energy: 0.5821658005722447
Energy: 0.47840830682519275
Energy: 0.49046569419596947
Energy: 0.4563102548193013
Energy: 0.5008858689434418
Energy: 0.491029420531403

minimum gb energy = 0.4223079165855306 eV
minimum distance =  2.6224883444038 Angstroms
sigma value = 43


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

Energy: 0.8156337375807834
Energy: 0.5643184579863028
Energy: 0.5177327360274263
Energy: 0.4659438041334208
Energy: 0.5646141288139362
Energy: 0.4657355344742046
Energy: 0.4309885386919675
Energy: 0.47218755555927866
Energy: 0.47695323599229317
Energy: 0.44332934489074977
Energy: 0.45122415929702236
Energy: 0.4300250222404048
Energy: 0.4300382598813158
Energy: 0.4165322561231257
Energy: 0.4159040583117338
Energy: 0.4435950997346214
Energy: 0.415606119701074
Energy: 0.45047531319684475
Energy: 0.42986927324596813
Energy: 0.4159199468651994
Energy: 0.430140460430801
Energy: 0.42986698397452383
Energy: 0.4155027734983224
Energy: 0.42984047344868104
Energy: 0.43223131348850236
Energy: 0.48096927289998825
Energy: 0.48238793880687136
Energy: 0.4326784122067457
Energy: 0.47845206346375113
Energy: 0.47952695443682636
Energy: 0.4315400303387059
Energy: 0.47971216892662577
Energy: 0.48283533945413515
Energy: 0.47984877655202546
Energy: 0.43451376239243183
Energy: 0.48292424739319567
Energy: 0.4406370114828631
Energy: 0.4295783721191048
Energy: 0.429593004726656
Energy: 0.4629158872992244
Energy: 0.4302135430506538
Energy: 0.42941734006900684
Energy: 0.5156849633088825
Energy: 0.43046793352780055
Energy: 0.4742516682438858
Energy: 0.4323263318450366
Energy: 0.43025295425248267
Energy: 0.4755913342685126
Energy: 0.4517941678761846
Energy: 0.4504743401904469
Energy: 0.42956279222656135
Energy: 0.4335503142690149
Energy: 0.4520557377286313
Energy: 0.43043072653397463
Energy: 0.5740899487429338
Energy: 0.4303945320040641
Energy: 0.4501924251324352
Energy: 0.5044263708465854
Energy: 0.4502870414119557
Energy: 0.44965428549492387
Energy: 0.41562893694485337
Energy: 0.4349160479399874
Energy: 0.45122120098335133
Energy: 0.4497027612349938
Energy: 0.47690880768302313
Energy: 0.47586580300976633
Energy: 0.4820345810875032
Energy: 0.45117299911828823
Energy: 0.45111622486040187
Energy: 0.41349986402359945
Energy: 0.4514034035853956
Energy: 0.43021170365420114
Energy: 0.5513613216223991
Energy: 0.4502657038136223
Energy: 0.4439263125874979
Energy: 0.4360420664493858
Energy: 0.45040108534411855
Energy: 0.44439872837158223
Energy: 0.4154646820212211
Energy: 0.465354094825439
Energy: 0.4765435032075875
Energy: 0.433355371252115
Energy: 0.4449984917760523
Energy: 0.4781548958574694
Energy: 0.4157454457005533
Energy: 0.4797067961097735
Energy: 0.4804587830422128
Energy: 0.41482505978061796
Energy: 0.47862251821997776
Energy: 0.481235057261864
Energy: 0.4156532028022028
Energy: 0.4602656886075834
Energy: 0.4148462638819295
Energy: 0.4165914559237589
Energy: 0.4754913968116471
Energy: 0.41467282630119545
Energy: 0.4143921463780099
Energy: 0.43208585179000675
Energy: 0.4319198410979953
Energy: 0.4144943700704011
Energy: 0.4777860953059132
Energy: 0.4148661004501556
Energy: 0.41483273931141024
Energy: 0.45113736408530275
Energy: 0.4460264389529524
Energy: 0.4649618209179204
Energy: 0.4613655706107899
Energy: 0.4648069964333566
Energy: 0.45054269142441455
Energy: 0.4660950087120675
Energy: 0.46568955678060353
Energy: 0.41450719867755653
Energy: 0.46468647038515354
Energy: 0.42929790221348435
Energy: 0.4859224276431806
Energy: 0.4666622335317957
Energy: 0.46566290550360173
Energy: 0.4292610072660429
Energy: 0.46574287737495107
Energy: 0.4295090032444617
Energy: 0.4147138928952209
Energy: 0.4399998158414803
Energy: 0.4399918826302834
Energy: 0.4544447698359175
Energy: 0.46836093205477886
Energy: 0.4379018919176299
Energy: 0.521304464113673
Energy: 0.44514958619998385
Energy: 0.4826879633932442
Energy: 0.5280672248963498
Energy: 0.4148035697911532
Energy: 0.48246070009733383
Energy: 0.47911808732996225
Energy: 0.46535204213772396
Energy: 0.4398770687498208
Energy: 0.4527114848777406
Energy: 0.45329275679378733
Energy: 0.4399161529466234
Energy: 0.4768245649235103
Energy: 0.4648551172579567
Energy: 0.4656016312910121
Energy: 0.43690474287673975
Energy: 0.4149753603016589
Energy: 0.4459299586826675
Energy: 0.4807146980069291
Energy: 0.4146307131694069
Energy: 0.41463944109553263
Energy: 0.466665920429338
Energy: 0.4146438097801312
Energy: 0.41464343187164904
Energy: 0.4635746182016992
Energy: 0.41526357672651437
Energy: 0.41572209590261916
Energy: 0.44714317954140514
Energy: 0.41476782794976685
Energy: 0.41481245046124077
Energy: 0.4633844053792524
Energy: 0.4765398725814037
Energy: 0.4801345923762424
Energy: 0.47010758145193615
Energy: 0.475771728574437
Energy: 0.48000316417621897
Energy: 0.46118392123353874
Energy: 0.4762912876134541
Energy: 0.43418086366028774
Energy: 0.4503834310860886
Energy: 0.43340781543333573
Energy: 0.4302866401813812
Energy: 0.47420116973970816
Energy: 0.43064009542439696
Energy: 0.45085254693956944
Energy: 0.4742626586949659
Energy: 0.4316055252502549
Energy: 0.4719539300772269
Energy: 0.4294823688435797
Energy: 0.4452897938920873
Energy: 0.4765595388379282
Energy: 0.45215240975830695
Energy: 0.43337302961553786
Energy: 0.4297608953058346
Energy: 0.5424874613606996
Energy: 0.5191606927366239
Energy: 0.4984715219726075
Energy: 0.4452870142233396
Energy: 0.4878382239744872
Energy: 0.4358685584948923

minimum gb energy = 0.41349986402359945 eV
minimum distance =  2.62938759314287 Angstroms
sigma value = 57


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

Energy: 0.6428236310152936
Energy: 0.5013584496111799
Energy: 0.47743471532017295
Energy: 0.405825457599534
Energy: 0.5009871243487029
Energy: 0.5267537941459096
Energy: 0.46796436326151347
Energy: 0.47081936795035567
Energy: 0.46993661832688377
Energy: 0.42468660601337693
Energy: 0.4694091014268151
Energy: 0.4392743460720447
Energy: 0.4663488143540321
Energy: 0.4089088212163836
Energy: 0.4074509674533635
Energy: 0.4241318679920589
Energy: 0.4088250564439223
Energy: 0.40758295807071465
Energy: 0.4654654649043168
Energy: 0.4081370159118766
Energy: 0.4076838439136989
Energy: 0.46844741951665775
Energy: 0.4079532008451332
Energy: 0.4039912598822689
Energy: 0.47280872023870596
Energy: 0.4577275692430572
Energy: 0.46117980879287673
Energy: 0.47493661738935833
Energy: 0.46025965134781505
Energy: 0.4582752727302034
Energy: 0.4070215077789996
Energy: 0.4528586203370646
Energy: 0.4543047987901317
Energy: 0.4966815589076903
Energy: 0.4742694667317511
Energy: 0.4529240693686347
Energy: 0.4970983402003858
Energy: 0.4739100926140698
Energy: 0.47405176903354596
Energy: 0.4899027635800144
Energy: 0.47487227286392936
Energy: 0.4733209800032871
Energy: 0.4423507307886739
Energy: 0.5081951977969382
Energy: 0.5112330274200535
Energy: 0.49143646123578116
Energy: 0.5012716897503535
Energy: 0.493266970858426
Energy: 0.47178413529969815
Energy: 0.49308938281799636
Energy: 0.49420061102082935
Energy: 0.4724473378519768
Energy: 0.4956836061512745
Energy: 0.4912180063723043
Energy: 0.5716245971023699
Energy: 0.4432896154827814
Energy: 0.44340099367921837
Energy: 0.5421005024677751
Energy: 0.4434615273119404
Energy: 0.44342364942839607
Energy: 0.48702505293913734
Energy: 0.4427588189306365
Energy: 0.46961513028734253
Energy: 0.4691207714636492
Energy: 0.46320367125523193
Energy: 0.513525733771718
Energy: 0.38064699586814577
Energy: 0.4697503831192868
Energy: 0.4685404997544038
Energy: 0.3821808113652786
Energy: 0.5009649617533325
Energy: 0.45177544509215023
Energy: 0.3819308586564944
Energy: 0.46939442898456807
Energy: 0.452306353975222
Energy: 0.4519624786186112
Energy: 0.48208185979689994
Energy: 0.4526443751825583
Energy: 0.5226081246049368
Energy: 0.5038827427658288
Energy: 0.4693453350625327
Energy: 0.47218922623769755
Energy: 0.4943627759692703
Energy: 0.4857283366277997
Energy: 0.4851747940834974
Energy: 0.4079577357018519
Energy: 0.40765321084657785
Energy: 0.4827858558988467
Energy: 0.40863439259539147
Energy: 0.40800515512512403
Energy: 0.4718305326857203
Energy: 0.46460558105937194
Energy: 0.46871350881428225
Energy: 0.4725369369837278
Energy: 0.4971314341568783
Energy: 0.4791371700828943
Energy: 0.4699818247436625
Energy: 0.5044013288785408
Energy: 0.5055832926582156
Energy: 0.4677320848511812
Energy: 0.5069433485179629
Energy: 0.503760677436267
Energy: 0.47011316278759324
Energy: 0.47436727104098986
Energy: 0.45461856191417666
Energy: 0.48743244032267985
Energy: 0.47415546844130985
Energy: 0.45926086012225614
Energy: 0.497513765476465
Energy: 0.47297256941564086
Energy: 0.4730972902123014
Energy: 0.47161489281561053
Energy: 0.4725711118481115
Energy: 0.4730125532358709
Energy: 0.47622386659341504
Energy: 0.47704727143250447
Energy: 0.4787486825465566
Energy: 0.4786012851636
Energy: 0.480323997209546
Energy: 0.4768201349947767
Energy: 0.46808346817925983
Energy: 0.48134082242025317
Energy: 0.4801186057491709
Energy: 0.4704767858319642
Energy: 0.4994788667578828
Energy: 0.40380454350061656
Energy: 0.5564126895305722
Energy: 0.444470695156269
Energy: 0.4677576404707897
Energy: 0.5302039400871486
Energy: 0.4446384338071652
Energy: 0.4668612001830164
Energy: 0.4654759606064205
Energy: 0.4695009803513768
Energy: 0.43963798100437945
Energy: 0.4252089146734445
Energy: 0.45611188270778
Energy: 0.45531257297102684
Energy: 0.41000131606569434
Energy: 0.43987783247735224
Energy: 0.45219060134738975
Energy: 0.45208974704553395
Energy: 0.46422426868069405
Energy: 0.4984142333799872

minimum gb energy = 0.38064699586814577 eV
minimum distance =  2.58398566953469 Angstroms
sigma value = 17


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

Energy: 0.5183768608670236
Energy: 0.5929232565925282
Energy: 0.5127397129523684
Energy: 0.41250197574486874
Energy: 0.5922165084759174
Energy: 0.4136196584530871
Energy: 0.4273441694160202
Energy: 0.4357906633034032
Energy: 0.4351484855942154
Energy: 0.44135128110780925
Energy: 0.44049318379850455
Energy: 0.40226790452834493
Energy: 0.4353558827640006
Energy: 0.38523872457419017
Energy: 0.38507293707078705
Energy: 0.43602266121571426
Energy: 0.385434874546117
Energy: 0.3854443281610678
Energy: 0.43576110511613886
Energy: 0.38509213266888953
Energy: 0.38508223226805227
Energy: 0.4356322786121497
Energy: 0.38944127908892634
Energy: 0.4353665166671678
Energy: 0.3762643197482721
Energy: 0.4259600628015845
Energy: 0.4261865041649242
Energy: 0.3768824824872583
Energy: 0.42576059604559513
Energy: 0.4254248034403285
Energy: 0.3848302274800011
Energy: 0.37073394686073075
Energy: 0.37084019738346036
Energy: 0.3551059072383911
Energy: 0.37060855310690466
Energy: 0.3553889460449312
Energy: 0.37630964817687695
Energy: 0.37086934667994437
Energy: 0.37079596812077015
Energy: 0.37617304324659534
Energy: 0.37247931295107595
Energy: 0.37081104945475973
Energy: 0.37059200634206313
Energy: 0.41432858483390367
Energy: 0.4141944695620029
Energy: 0.4141905523059051
Energy: 0.40980577187782974
Energy: 0.38657119904962467
Energy: 0.37140543117931063
Energy: 0.3726929159700434
Energy: 0.3717621714403701
Energy: 0.3721531527578482
Energy: 0.3775977668938351
Energy: 0.3706933060370068
Energy: 0.37032672070299966
Energy: 0.37153616994275523
Energy: 0.3717600578099142
Energy: 0.3705121807453136
Energy: 0.3712771868242192
Energy: 0.37196760292416664
Energy: 0.454473387741103
Energy: 0.40478861231636
Energy: 0.37050238963580495
Energy: 0.4259286692046429
Energy: 0.4349549461851884
Energy: 0.3720526047903687
Energy: 0.3717279291913784
Energy: 0.4356049383864836
Energy: 0.4351626939310228
Energy: 0.40111581518056616
Energy: 0.43535671511877816
Energy: 0.43544540834458817
Energy: 0.4333800041320303
Energy: 0.43595282049917233
Energy: 0.4355858069746209
Energy: 0.40121698581035886
Energy: 0.4355820715795454
Energy: 0.4358315476213838
Energy: 0.5272148850741626
Energy: 0.4356337047424226
Energy: 0.4357187520010202
Energy: 0.4359455860812433
Energy: 0.4359212330527824
Energy: 0.4020045132527886
Energy: 0.5034482428039505
Energy: 0.43599389860727733
Energy: 0.4612442250621543
Energy: 0.4439009639357777
Energy: 0.43647799263097414
Energy: 0.4621931998366243
Energy: 0.5067437384370589
Energy: 0.44053379358529393
Energy: 0.501296934450719
Energy: 0.4365981207074433
Energy: 0.4413970252393161
Energy: 0.4351204158941722
Energy: 0.5067441065796797
Energy: 0.43546740012653185
Energy: 0.485394888206471
Energy: 0.44945736802289943
Energy: 0.44430451363297097
Energy: 0.48520626732184813

minimum gb energy = 0.3551059072383911 eV
minimum distance =  2.64788637069346 Angstroms
sigma value = 17


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

Energy: 0.5003856236926761
Energy: 0.5619162014297909
Energy: 0.41993648492033925
Energy: 0.4177993949912422
Energy: 0.6125077440071259
Energy: 0.42074599676533425
Energy: 0.4851994290305718
Energy: 0.4440884060886316
Energy: 0.4404425717634599
Energy: 0.4443005259985168
Energy: 0.44195220824589115
Energy: 0.40959112414944215
Energy: 0.5425841508309445
Energy: 0.3522071581166724
Energy: 0.39567128708082977
Energy: 0.44266959125120586
Energy: 0.38877487864002197
Energy: 0.39564952365326755
Energy: 0.44489336179801786
Energy: 0.3957252209303484
Energy: 0.39582264265566935
Energy: 0.44539074235476694
Energy: 0.4777255615232082
Energy: 0.39584751123363265
Energy: 0.38072280373844924
Energy: 0.426240492024717
Energy: 0.37643449796537115
Energy: 0.38119499743292673
Energy: 0.42678572861391006
Energy: 0.37555328869222815
Energy: 0.39603503746164037
Energy: 0.37482707659045
Energy: 0.35348341682070883
Energy: 0.3523476005928729
Energy: 0.37481587316866305
Energy: 0.3522907251441694
Energy: 0.4118028873058997
Energy: 0.37823893717006546
Energy: 0.3746376827781322
Energy: 0.34680017563915955
Energy: 0.37572574097649397
Energy: 0.36679025700373646
Energy: 0.34585083549618933
Energy: 0.338962326922693
Energy: 0.39807066792133905
Energy: 0.40131288889585526
Energy: 0.3392890169545821
Energy: 0.39923830886782496
Energy: 0.34848383391580423
Energy: 0.34659942341129524
Energy: 0.3462053407914327
Energy: 0.34751674765515506
Energy: 0.350135327417541
Energy: 0.34653278074089633
Energy: 0.34667182618368675
Energy: 0.3898704394492846
Energy: 0.37929634682100305
Energy: 0.34663220243756027
Energy: 0.3893550077580806
Energy: 0.3916381487144448
Energy: 0.3565916292464801
Energy: 0.3463079349385783
Energy: 0.34658379620245444
Energy: 0.3899420536343385
Energy: 0.34647721304871015
Energy: 0.39060755361780203
Energy: 0.40816983273073454
Energy: 0.34650316760459615
Energy: 0.34653399825521886
Energy: 0.40862175600384826
Energy: 0.3493127114315362
Energy: 0.3461321534000788
Energy: 0.3746769934910997
Energy: 0.39798657458577036
Energy: 0.3474454037350677
Energy: 0.3745896527632455
Energy: 0.3976348082902485
Energy: 0.34645270180097815
Energy: 0.3752874438702326
Energy: 0.4497909880426275
Energy: 0.37517696506712
Energy: 0.37629189066009733
Energy: 0.34624774099445943
Energy: 0.37484577573129285
Energy: 0.3747300511763006
Energy: 0.3467216425229033
Energy: 0.34671638703622437
Energy: 0.374825131071147
Energy: 0.3468047225281505
Energy: 0.37544764895140154
Energy: 0.44722847739598515
Energy: 0.38323037970943225
Energy: 0.37657677387671684
Energy: 0.4271407026412064
Energy: 0.4427959510633363
Energy: 0.37600363038756157
Energy: 0.46820459545757664
Energy: 0.4419228097503232
Energy: 0.44209750543639464
Energy: 0.4687568622666545
Energy: 0.4421492351088591
Energy: 0.374310259018288
Energy: 0.44360442441000036
Energy: 0.4415196244999068
Energy: 0.4415035835037353
Energy: 0.4438278354302328
Energy: 0.4419310630885706
Energy: 0.3748673042839962
Energy: 0.44802252368408135
Energy: 0.44100421330296735
Energy: 0.4114833110575212
Energy: 0.382046797774451
Energy: 0.5000193810164667
Energy: 0.4111476846720206
Energy: 0.44721464073984013
Energy: 0.37510041817387685
Energy: 0.3972076996028811
Energy: 0.44853744248751054
Energy: 0.3745058001559765
Energy: 0.44294865882835044
Energy: 0.5586876460089679
Energy: 0.4405279797779259
Energy: 0.44031571790303276
Energy: 0.4417900230630539
Energy: 0.4445609736971527
Energy: 0.4402114553968374
Energy: 0.47622968057055554
Energy: 0.4461988577170747
Energy: 0.48641160755232904
Energy: 0.39553912259184615
Energy: 0.44598838993725937
Energy: 0.395669752117123
Energy: 0.47674858460598063
Energy: 0.4439692344565056
Energy: 0.4407621034132673
Energy: 0.4773999694967433
Energy: 0.4429282466987337
Energy: 0.4859951627735095
Energy: 0.5464832722234174
Energy: 0.3886457269595792
Energy: 0.44029908423944747
Energy: 0.44380993050235995
Energy: 0.4791701829480426
Energy: 0.44080444467283786
Energy: 0.442826900948658
Energy: 0.3520103784788618
Energy: 0.39584472800179227
Energy: 0.44246623449784545
Energy: 0.3520491426952279
Energy: 0.39591866186147423
Energy: 0.38257884417041593
Energy: 0.4289735360815845
Energy: 0.3771423799055552
Energy: 0.3830022074283515
Energy: 0.4286624511331073
Energy: 0.4090265737662666
Energy: 0.3962976697619471
Energy: 0.37692310400642737
Energy: 0.3754119678628509
Energy: 0.35217669240949895
Energy: 0.4332449307769227
Energy: 0.35223088207881526
Energy: 0.4035996206167488
Energy: 0.37830326396309066
Energy: 0.3748835397037176
Energy: 0.40434353627731817
Energy: 0.37611602404391814
Energy: 0.3749523187791765
Energy: 0.39970469960898397
Energy: 0.3669270883707305
Energy: 0.3955810015781553
Energy: 0.44541224722871553
Energy: 0.3536083763621936
Energy: 0.39634865695413896
Energy: 0.3538498469462841
Energy: 0.3392434530063529
Energy: 0.346559310083048
Energy: 0.34665468449499
Energy: 0.33918245855812196
Energy: 0.34616678943681223
Energy: 0.34869942076893845
Energy: 0.3899791417056394
Energy: 0.3899179346207351
Energy: 0.3493834325624899
Energy: 0.3902897477923654
Energy: 0.3463677034140194
Energy: 0.34691340675285776
Energy: 0.43306884070671153
Energy: 0.43411134507459886
Energy: 0.36203249914166447
Energy: 0.34579125944029804
Energy: 0.4348427833448424
Energy: 0.38909461094615705
Energy: 0.3493772459823327
Energy: 0.34649890994957466
Energy: 0.3898613983821281
Energy: 0.348807720700268
Energy: 0.3464443275024082
Energy: 0.374613515176255
Energy: 0.34666468849223064
Energy: 0.3462099404304036
Energy: 0.3469733839551082
Energy: 0.34588480296272767
Energy: 0.44856295099926224
Energy: 0.37756685930902445
Energy: 0.4429670570435806
Energy: 0.3947685940460619
Energy: 0.37829812725116996
Energy: 0.4442734470397858
Energy: 0.3662104795450916
Energy: 0.3748220462956642
Energy: 0.34649612680872227
Energy: 0.3750568783887551
Energy: 0.3747687732105862
Energy: 0.34704012022548975
Energy: 0.37503839529691313
Energy: 0.377458876377964
Energy: 0.3753961157807072
Energy: 0.3752564794889382
Energy: 0.3761642785012607
Energy: 0.41173144608374085
Energy: 0.3752165884752408
Energy: 0.4698526016802712
Energy: 0.44115726580213216
Energy: 0.4407077025653795
Energy: 0.5033405112883335
Energy: 0.4427269583543375
Energy: 0.41195904388679117
Energy: 0.4416220540398698
Energy: 0.4418583649930769
Energy: 0.37682209564589475
Energy: 0.3745000412946032
Energy: 0.46225779509146614
Energy: 0.37516426017334215
Energy: 0.4390435174686091
Energy: 0.4418802901223847
Energy: 0.4409180657299628
Energy: 0.38203486798564334
Energy: 0.4423191168141081
Energy: 0.4090494427448402
Energy: 0.46239104959993804
Energy: 0.3741216926721401
Energy: 0.4412133512514344
Energy: 0.4425300915179719
Energy: 0.37442244518671874
Energy: 0.442233314558601
Energy: 0.5448401942462073
Energy: 0.4132331987192712
Energy: 0.4390331426094661
Energy: 0.44437986294304893
Energy: 0.4798615510253895
Energy: 0.44037164858129463
Energy: 0.47722148155262567
Energy: 0.4473833447704293
Energy: 0.4410608162102697
Energy: 0.4779654564467654
Energy: 0.4456182774254909
Energy: 0.4832554990641793

minimum gb energy = 0.338962326922693 eV
minimum distance =  2.64138303871933 Angstroms
sigma value = 57


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

Energy: 0.42729400523679756
Energy: 0.5346761663771902
Energy: 0.41632840643567604
Energy: 0.3594176241912044
Energy: 0.5840465665861814
Energy: 0.4176755035471502
Energy: 0.47453229099863325
Energy: 0.43904691172666405
Energy: 0.38141064537480845
Energy: 0.4399417102165157
Energy: 0.43711138912711195
Energy: 0.40834708152285926
Energy: 0.5218549891371216
Energy: 0.3535652948714709
Energy: 0.35378174298823056
Energy: 0.4427447024872376
Energy: 0.35345140342761266
Energy: 0.39638262852938405
Energy: 0.4414887688165465
Energy: 0.35327830777146196
Energy: 0.3962844890076687
Energy: 0.4418975852894655
Energy: 0.4179203412571726
Energy: 0.39649742005893823
Energy: 0.41671997832524804
Energy: 0.3796434230913463
Energy: 0.3823531834463762
Energy: 0.4173160228279809
Energy: 0.37740529844865933
Energy: 0.3758279036604205
Energy: 0.35382026064316846
Energy: 0.3754113275110072
Energy: 0.35428162797107066
Energy: 0.3322747338791798
Energy: 0.3755109475361779
Energy: 0.3539890887487482
Energy: 0.43683228675291086
Energy: 0.37972273063111084
Energy: 0.3820987611610434
Energy: 0.35980088440050506
Energy: 0.3785122025024518
Energy: 0.36470657161496184
Energy: 0.3428603732709419
Energy: 0.33213516327571574
Energy: 0.33236643456543663
Energy: 0.34462094984931607
Energy: 0.33169432558824424
Energy: 0.34406801743153526
Energy: 0.34557115861465126
Energy: 0.34333457240481136
Energy: 0.34324837374638256
Energy: 0.34628984238775307
Energy: 0.37552718508249583
Energy: 0.34317655476479014
Energy: 0.34316943765751085
Energy: 0.41387781301301424
Energy: 0.3737458173947192
Energy: 0.3431748731932708
Energy: 0.41514428068129855
Energy: 0.3693845394704318
Energy: 0.3318914093727133
Energy: 0.3287785029102021
Energy: 0.328913716026517
Energy: 0.3302503831866853
Energy: 0.33809443739293177
Energy: 0.3298903821587707
Energy: 0.37172312844020844
Energy: 0.33337333533641755
Energy: 0.33651739458751595
Energy: 0.3711149071223926
Energy: 0.33344766108041396
Energy: 0.3292535572808894
Energy: 0.32857503893277956
Energy: 0.3419660370853869
Energy: 0.4090987718640699
Energy: 0.3286816802918325
Energy: 0.34344725926498076
Energy: 0.4147446904610655
Energy: 0.32934575950273354
Energy: 0.3704472277807068
Energy: 0.32886940887129024
Energy: 0.3301912471646555
Energy: 0.39862709385434175
Energy: 0.3360852829769823
Energy: 0.32889954412832845
Energy: 0.3302394806707388
Energy: 0.32986343576578014
Energy: 0.3288719184012713
Energy: 0.3304879867396003
Energy: 0.32979259395519045
Energy: 0.35361631421930334
Energy: 0.34336181366114943
Energy: 0.34336955248386936
Energy: 0.3746988199013727
Energy: 0.3485978240142134
Energy: 0.4124888905123908
Energy: 0.3978997741046932
Energy: 0.3498248272759073
Energy: 0.3430873069361716
Energy: 0.3430860530644647
Energy: 0.3478510894722272
Energy: 0.343289206872373
Energy: 0.37638926401864564
Energy: 0.3492242687315018
Energy: 0.3436940558282837
Energy: 0.3773036048858967
Energy: 0.34855732927816163
Energy: 0.3436969438014807
Energy: 0.375859700042868
Energy: 0.36164562486806745
Energy: 0.37548727515242736
Energy: 0.3767430560698702
Energy: 0.3433851776476793
Energy: 0.3756843515432794
Energy: 0.37535658556849555
Energy: 0.34350653304418727
Energy: 0.34391540950886484
Energy: 0.37517926003147656
Energy: 0.3435555792801132
Energy: 0.37535498243829035
Energy: 0.4827386980174465
Energy: 0.3814993912823522
Energy: 0.37929315395823743
Energy: 0.4224563428917677
Energy: 0.4303988484057233
Energy: 0.37662386326648656
Energy: 0.4242468529825494
Energy: 0.43698943728283507
Energy: 0.3754954770416533
Energy: 0.34316342022071755
Energy: 0.44332303356503966
Energy: 0.37552930570601867
Energy: 0.4383105193586234
Energy: 0.4434599031716711
Energy: 0.4362856307042848
Energy: 0.4388916902727498
Energy: 0.4409423291362594
Energy: 0.4357322117536462
Energy: 0.4992300106621987
Energy: 0.37666353434431094
Energy: 0.4097705902542475
Energy: 0.37925571109255907
Energy: 0.47700555319228244
Energy: 0.38219416365531106
Energy: 0.5247307800814819
Energy: 0.37523871992568825
Energy: 0.3753714013242737
Energy: 0.48094873837287755
Energy: 0.37572348438494463
Energy: 0.43704426099886595
Energy: 0.5499140943710313
Energy: 0.43913409832076317
Energy: 0.4416544035552336
Energy: 0.4373926699280628
Energy: 0.43854536064831945
Energy: 0.46123689100228993
Energy: 0.4291708913035861
Energy: 0.4380645583569072
Energy: 0.3966026563003548
Energy: 0.3541230958221933
Energy: 0.4369479829691021
Energy: 0.39639472789647245

minimum gb energy = 0.32857503893277956 eV
minimum distance =  2.64318474224592 Angstroms
sigma value = 43


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

Energy: 0.36710861446474113
Energy: 0.48052163801411385
Energy: 0.39691709671102876
Energy: 0.38587296292509005
Energy: 0.48011440878083433
Energy: 0.3588082445421764
Energy: 0.42356804215690874
Energy: 0.3554052313158397
Energy: 0.355683817776111
Energy: 0.39917288292022063
Energy: 0.3673724885310293
Energy: 0.38889036471602595
Energy: 0.4658344558290608
Energy: 0.31242968064052923
Energy: 0.334689711447034
Energy: 0.4019167779601734
Energy: 0.3125843179624845
Energy: 0.3345452898529268
Energy: 0.3993258083982584
Energy: 0.33476762334099636
Energy: 0.3346273937571291
Energy: 0.35503817816549127
Energy: 0.3593182372772294
Energy: 0.3704157218460322
Energy: 0.3751929157562514
Energy: 0.3529320223345469
Energy: 0.3527753728745697
Energy: 0.3754040048108583
Energy: 0.35496963304901424
Energy: 0.3528935535400175
Energy: 0.35020707486827324
Energy: 0.3526578911213175
Energy: 0.33497609162063413
Energy: 0.3361569348272408
Energy: 0.3527082922760097
Energy: 0.3125577135517722
Energy: 0.43391859598841276
Energy: 0.35315650279886285
Energy: 0.3526873225449242
Energy: 0.32445643588205564
Energy: 0.3555352776276134
Energy: 0.35093903188505715
Energy: 0.4157724081207169
Energy: 0.2983910505797663
Energy: 0.3126201077103286
Energy: 0.32396125801286735
Energy: 0.29857514609392966
Energy: 0.3126196024773822
Energy: 0.3256357179918866
Energy: 0.3124862142772583
Energy: 0.323585078437606
Energy: 0.3263477142507397
Energy: 0.3613247186727042
Energy: 0.3237433409057188
Energy: 0.3429382096022153
Energy: 0.344774934087911
Energy: 0.30821156638773967
Energy: 0.34235655006023885
Energy: 0.344411282493522
Energy: 0.30618742416030753
Energy: 0.35092974263411886
Energy: 0.3056540207313022
Energy: 0.30563351634781455
Energy: 0.2943463140985636
Energy: 0.30563589364437116
Energy: 0.29856098415029636
Energy: 0.37543713325261224
Energy: 0.3058373325703999
Energy: 0.30562386214532805
Energy: 0.3758499789460034
Energy: 0.3059212541129674
Energy: 0.34213258607795755
Energy: 0.29561945524168803
Energy: 0.34778552020608855
Energy: 0.29581311626544843
Energy: 0.3253336652804665
Energy: 0.3485783312504809
Energy: 0.2954017606691106
Energy: 0.2955685916019247
Energy: 0.33502838342032
Energy: 0.294929739381505
Energy: 0.2966619417590195
Energy: 0.34503436247480784
Energy: 0.29505618601185846
Energy: 0.29495622114772907
Energy: 0.36892032023996324
Energy: 0.36705693361856806
Energy: 0.294893056876236
Energy: 0.32339621126251866
Energy: 0.32265978851703514
Energy: 0.35496679564802686
Energy: 0.2900040867307753
Energy: 0.2897607260669075
Energy: 0.3242721578675143
Energy: 0.2900708209619276
Energy: 0.29125442893708114
Energy: 0.3290096811242305
Energy: 0.2899577584816827
Energy: 0.2896813879044826
Energy: 0.3294243767498447
Energy: 0.2900841035783814
Energy: 0.32579088343101825
Energy: 0.2897438349070418
Energy: 0.3495795075514337
Energy: 0.34683048521678217
Energy: 0.2897346459174427
Energy: 0.32356003245598425
Energy: 0.36813916683109865
Energy: 0.29005255419920195
Energy: 0.3561477517493328
Energy: 0.28990513881738
Energy: 0.29115250887964367
Energy: 0.34223142601501505
Energy: 0.2901529787602806
Energy: 0.2899639352258657
Energy: 0.3499187326123926
Energy: 0.3482615598230754
Energy: 0.290062079995782
Energy: 0.3520467968502687
Energy: 0.34765647095317015
Energy: 0.3073080268166498
Energy: 0.29521459583087484
Energy: 0.29480689935291865
Energy: 0.2970288174729501
Energy: 0.29522221369377416
Energy: 0.3584093615913331
Energy: 0.353874208047975
Energy: 0.2950052724559501
Energy: 0.29483333705438586
Energy: 0.31933887418039225
Energy: 0.2953542735088914
Energy: 0.2962572541512853
Energy: 0.30560730232791145
Energy: 0.3708836998586082
Energy: 0.3700096920613869
Energy: 0.30554446829794124
Energy: 0.3367471850062074
Energy: 0.2955976078637785
Energy: 0.3063484438665847
Energy: 0.3450018762785419
Energy: 0.3056937464907565
Energy: 0.30734217710327916
Energy: 0.3553761017193839
Energy: 0.30585660767052397
Energy: 0.30612807118799173
Energy: 0.2950971505180139
Energy: 0.30647917434771976
Energy: 0.30664088275200163
Energy: 0.2954088892703105
Energy: 0.30651652550814135
Energy: 0.4032744240411851
Energy: 0.3238816771564215
Energy: 0.3237076064750702
Energy: 0.32636039773965064
Energy: 0.32411638724270947
Energy: 0.3784221221825901
Energy: 0.3525457956409022
Energy: 0.3236461120631761
Energy: 0.32359348677314276
Energy: 0.29591301213731996
Energy: 0.3235884116477779
Energy: 0.30623615806627014
Energy: 0.3378210636794601
Energy: 0.3239910566087201
Energy: 0.32407932597301337
Energy: 0.33777699844763903
Energy: 0.3262857879193255
Energy: 0.32424298387127054
Energy: 0.35508387854566453
Energy: 0.3238721340591493
Energy: 0.3527032754391475
Energy: 0.35585235822936706
Energy: 0.3682869553812115
Energy: 0.3527852631715577
Energy: 0.4350293056766966
Energy: 0.30599220615922323
Energy: 0.3238738925095581
Energy: 0.3527709560827121
Energy: 0.30592930137218394
Energy: 0.32381769071363686
Energy: 0.465538550554838
Energy: 0.35548782268600954
Energy: 0.35358523487107657
Energy: 0.3558036884659823
Energy: 0.355722022761284
Energy: 0.35379721166887923
Energy: 0.3562160984796177
Energy: 0.40130059377286925
Energy: 0.3525361838926501
Energy: 0.33880179301406765
Energy: 0.4011942545268803
Energy: 0.3236331419709279
Energy: 0.38740290245205944
Energy: 0.3995599227106997
Energy: 0.399272087662704
Energy: 0.38750754641936014
Energy: 0.40245665264716746
Energy: 0.393599077999173
Energy: 0.4349988295847788
Energy: 0.3524541945237525
Energy: 0.352603939035372
Energy: 0.3549012479608085
Energy: 0.37728606245520363
Energy: 0.4012966635859843
Energy: 0.4656538357449016
Energy: 0.32397460251923355
Energy: 0.352701978244106
Energy: 0.40194371764485504
Energy: 0.3242209119198813
Energy: 0.3526551360401602
Energy: 0.44383330875566446
Energy: 0.39883602555131403
Energy: 0.39874447108448896
Energy: 0.39919868344529025
Energy: 0.4023345780761908
Energy: 0.3932002465852575

minimum gb energy = 0.2896813879044826 eV
minimum distance =  2.63684827660349 Angstroms
sigma value = 81


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

Energy: 0.08594351130025067
Energy: 0.08761972055331786
Energy: 0.0861076753669911
Energy: 0.08757176607553659
Energy: 0.1276956070256999
Energy: 0.08638700764021004
Energy: 0.11027410946791091
Energy: 0.09070307343129544
Energy: 0.08762576960804325
Energy: 0.11038674479534154
Energy: 0.0881403521338315
Energy: 0.08800109759536072
Energy: 0.12765818215394273
Energy: 0.0861678658098491
Energy: 0.08620808029553545
Energy: 0.10905180274503126
Energy: 0.08628551408726744
Energy: 0.10787638042401043
Energy: 0.08940331141889798
Energy: 0.08630776740368842
Energy: 0.0866714422627636
Energy: 0.09018248135097104
Energy: 0.08628702572196141
Energy: 0.1077388105327629
Energy: 0.10761710629367022
Energy: 0.10913017565732791
Energy: 0.1096979753055541
Energy: 0.10807470626561247
Energy: 0.08798004217456351
Energy: 0.10979059942102408
Energy: 0.0863364235346173
Energy: 0.08806404863719197
Energy: 0.08606873515143464
Energy: 0.08740215554973535
Energy: 0.08782683713443822
Energy: 0.08619939309664865
Energy: 0.10998150831559163
Energy: 0.08755242073512702
Energy: 0.08765162895626666
Energy: 0.10931843801124462
Energy: 0.08843007685947751
Energy: 0.087665868044661
Energy: 0.10976785128232397
Energy: 0.08612114007378266
Energy: 0.08641303070282645
Energy: 0.10949390521616963
Energy: 0.08611233696077053
Energy: 0.10816253408812238
Energy: 0.08814828342723906
Energy: 0.08605872083580962
Energy: 0.10787966750203948
Energy: 0.0889329670333245
Energy: 0.08639903420006267
Energy: 0.1085092048438071
Energy: 0.08664774239062052
Energy: 0.1086511860361126
Energy: 0.1088891457583962
Energy: 0.08645385463799517
Energy: 0.10890470160363766
Energy: 0.10902105463523415

minimum gb energy = 0.08594351130025067 eV
minimum distance =  2.83896862190385 Angstroms
sigma value = 3


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

Energy: 0.3899622388084419
Energy: 0.422181009129433
Energy: 0.4076229211262007
Energy: 0.35797847577540287
Energy: 0.4212659187225896
Energy: 0.3626972538985218
Energy: 0.3899402273817005
Energy: 0.4048934241958914
Energy: 0.4049838258477748
Energy: 0.40555666845113286
Energy: 0.40738077902233544
Energy: 0.4120531958213477
Energy: 0.41147365648864515
Energy: 0.37696167802322766
Energy: 0.3995313443995321
Energy: 0.4129139635694805
Energy: 0.377039703029044
Energy: 0.4101314605340888
Energy: 0.3782884840636068
Energy: 0.37695780280724395
Energy: 0.39507490550675256
Energy: 0.37877718931675053
Energy: 0.33637927077084906
Energy: 0.40999056642389065
Energy: 0.33628034606090984
Energy: 0.4117172914637657
Energy: 0.4118823140314769
Energy: 0.3363450931233626
Energy: 0.40717011913192075
Energy: 0.4140103636557628
Energy: 0.3117220912455336
Energy: 0.41117650757680596
Energy: 0.37353849268767736
Energy: 0.34781180840766246
Energy: 0.42448607877084565
Energy: 0.3536848827171102
Energy: 0.3719572972720935
Energy: 0.3370267350721028
Energy: 0.33727080949503396
Energy: 0.3789204582495924
Energy: 0.33705663461245494
Energy: 0.37249264802322213
Energy: 0.3806181123650305
Energy: 0.34748334515053086
Energy: 0.35713482550670905
Energy: 0.38140649858592285
Energy: 0.33209314574164706
Energy: 0.3595053711069724
Energy: 0.40093130217140416
Energy: 0.3786427121178812
Energy: 0.3975721983874789
Energy: 0.39509182599830983
Energy: 0.3119335189090595
Energy: 0.3965133249634511
Energy: 0.3123255053956943
Energy: 0.3372341582953179
Energy: 0.33718322871350487
Energy: 0.3123773546122272
Energy: 0.3396006487433951
Energy: 0.35913128496740204
Energy: 0.29771729456925927
Energy: 0.3705184147152376
Energy: 0.33879323773750974
Energy: 0.33230560262150155
Energy: 0.36902302250250013
Energy: 0.34230986472812436
Energy: 0.3121826792488128
Energy: 0.38165761626009587
Energy: 0.3809155125418454
Energy: 0.3121402287194485
Energy: 0.33093602069893746
Energy: 0.31226337487981226
Energy: 0.3176185792486335
Energy: 0.32490860975521046
Energy: 0.3132729733349601
Energy: 0.31325253756039506
Energy: 0.3250701139871204
Energy: 0.313860351302687
Energy: 0.37649715505333536
Energy: 0.29748958522974445
Energy: 0.29737278716642235
Energy: 0.34710636458749977
Energy: 0.2971801341084115
Energy: 0.35691038150986104
Energy: 0.2905310288456061
Energy: 0.29714483196833497
Energy: 0.2970955604764168
Energy: 0.2901574776087121
Energy: 0.29904772742631675
Energy: 0.2971374529871849
Energy: 0.2903529660802952
Energy: 0.3320960720271153
Energy: 0.3655302012082118
Energy: 0.32569637141394475
Energy: 0.3311442969682232
Energy: 0.3681821915092502
Energy: 0.29255784127066986
Energy: 0.3471450180012892
Energy: 0.29039744632882253
Energy: 0.2901088306092293
Energy: 0.33228527882154424
Energy: 0.29004542239791775
Energy: 0.28992685826596504
Energy: 0.32487533433447674
Energy: 0.2904816074080517
Energy: 0.29006730990453033
Energy: 0.32523690984731674
Energy: 0.2906470762626871
Energy: 0.3656206584588496
Energy: 0.2907239923472622
Energy: 0.29046282207372764
Energy: 0.3264420510733207
Energy: 0.29032922837426633
Energy: 0.32420643998512283
Energy: 0.36525918612765784
Energy: 0.28997327762113767
Energy: 0.2900583288031092
Energy: 0.36640957285838366
Energy: 0.2921559545739413
Energy: 0.2899202037005249
Energy: 0.29858818683108973
Energy: 0.3252270702289178
Energy: 0.3678875728386893
Energy: 0.33180200295004814
Energy: 0.3250356032213515
Energy: 0.36469490007593847
Energy: 0.29917202658096825
Energy: 0.32814089078103675
Energy: 0.2976401514984273
Energy: 0.299804674227872
Energy: 0.32521118105083713
Energy: 0.2975671838589257
Energy: 0.29698829918180464
Energy: 0.36710896524291453
Energy: 0.3659417040672284
Energy: 0.29710661443046094
Energy: 0.3463610120586612
Energy: 0.297601910127741
Energy: 0.29320975377874414
Energy: 0.3141939201114545
Energy: 0.31416970138144157
Energy: 0.3268481869909368
Energy: 0.3140494847498968
Energy: 0.3136113163591147
Energy: 0.2975123920660356
Energy: 0.31219966474404715
Energy: 0.31210227130453183
Energy: 0.29810266227721016
Energy: 0.3122128536751373
Energy: 0.3121711867435292
Energy: 0.3894633783514862
Energy: 0.3374311803107362
Energy: 0.337333648787147
Energy: 0.36938411080660705
Energy: 0.326583142905177
Energy: 0.36968737193752
Energy: 0.33962318623927457
Energy: 0.33757205383851413
Energy: 0.3398972500230117
Energy: 0.34026052270608287
Energy: 0.30260653557021683
Energy: 0.33797888761343614
Energy: 0.3214736990376678
Energy: 0.400756838150979
Energy: 0.40015625674060146
Energy: 0.32154349262339155
Energy: 0.39974619576671705
Energy: 0.39804328849341875
Energy: 0.30173913516602024
Energy: 0.37829876291589026
Energy: 0.35585889726266523
Energy: 0.3387695617381052
Energy: 0.3782627704963477
Energy: 0.32446317947651526
Energy: 0.33722409069203946
Energy: 0.3790628796755737
Energy: 0.37909629214958335
Energy: 0.337200510062736
Energy: 0.3801108746103581
Energy: 0.3731002633750249
Energy: 0.4273966864771615
Energy: 0.3573062201319199
Energy: 0.3572519680395997
Energy: 0.4119774178545783
Energy: 0.33754777157715393
Energy: 0.3750837515071051
Energy: 0.4092341214957348
Energy: 0.3872734356561272
Energy: 0.40326619934409147
Energy: 0.4072026384662617
Energy: 0.32150979134299507
Energy: 0.4117591597966192
Energy: 0.3510378781031582
Energy: 0.37198781599306596
Energy: 0.3720298264236317
Energy: 0.35107748751391393
Energy: 0.37342989963880413
Energy: 0.3849475308803921

minimum gb energy = 0.2899202037005249 eV
minimum distance =  2.63381204744133 Angstroms
sigma value = 67


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

Energy: 0.3994373278675138
Energy: 0.5330478898859734
Energy: 0.44633676978481907
Energy: 0.3955689905467035
Energy: 0.5333748979860222
Energy: 0.4467512154270694
Energy: 0.5120266487919226
Energy: 0.4568064394478611
Energy: 0.45346515583194
Energy: 0.4577058256300105
Energy: 0.4553570654708084
Energy: 0.4644935236464188
Energy: 0.47497814077583417
Energy: 0.4244366237379576
Energy: 0.4647108065529527
Energy: 0.4601443359316388
Energy: 0.4173587913047385
Energy: 0.4641151405594412
Energy: 0.4582031196542783
Energy: 0.4688227895181445
Energy: 0.463166616193433
Energy: 0.4584193707776175
Energy: 0.36288459739073253
Energy: 0.4642386844943547
Energy: 0.40759988913263134
Energy: 0.45694328134315765
Energy: 0.4648956311666299
Energy: 0.4073570004915591
Energy: 0.45503733270772856
Energy: 0.465737906109296
Energy: 0.39077313422873355
Energy: 0.4670700719919008
Energy: 0.43828298442822683
Energy: 0.4135179490215447
Energy: 0.4658952053724109
Energy: 0.38943873226423953
Energy: 0.4074394485779462
Energy: 0.4203623286781309
Energy: 0.4219268515989853
Energy: 0.4074540645897009
Energy: 0.4179779634886837
Energy: 0.4032292442222612
Energy: 0.4105068554135897
Energy: 0.39446099699321563
Energy: 0.3574014057418362
Energy: 0.41148899830494384
Energy: 0.3905089750885637
Energy: 0.42139747366536207
Energy: 0.4452064270962267
Energy: 0.3636087987424181
Energy: 0.4490757097888138
Energy: 0.44555779070926993
Energy: 0.36219915179769785
Energy: 0.4493152062713194
Energy: 0.34019668047845986
Energy: 0.3648617701196625
Energy: 0.36181267023175334
Energy: 0.34026346799263824
Energy: 0.36415302757620616
Energy: 0.3615709959433705
Energy: 0.3407564932499613
Energy: 0.4293808019515576
Energy: 0.4268021885236754
Energy: 0.38959344111188754
Energy: 0.3633690306560665
Energy: 0.3401344055284351
Energy: 0.34404482096530714
Energy: 0.3600736216833815
Energy: 0.3406867646659913
Energy: 0.34471053898275783
Energy: 0.4108539460057595
Energy: 0.34067275978536193
Energy: 0.34385812357105844
Energy: 0.3941323712575506
Energy: 0.34091665916910674
Energy: 0.34450022449053624
Energy: 0.38882556757799075
Energy: 0.3408063572068239
Energy: 0.4406001159502719
Energy: 0.340719715145969
Energy: 0.38793770629469054
Energy: 0.3880105486058918
Energy: 0.3408706687725043
Energy: 0.38094393961108614
Energy: 0.3876437230222766
Energy: 0.34353077177758434
Energy: 0.3406118474119493
Energy: 0.38715426645548934
Energy: 0.3430002198474137
Energy: 0.3403498051489128
Energy: 0.4358005335449031
Energy: 0.3947283460776857
Energy: 0.42824364638638374
Energy: 0.3863477569233458
Energy: 0.34037281109167533
Energy: 0.425511998545127
Energy: 0.3641464424973609
Energy: 0.3888727895145442
Energy: 0.351930627165908
Energy: 0.3648632654923384
Energy: 0.38484333331540327
Energy: 0.3624840879972094
Energy: 0.3625136426893689
Energy: 0.44143395505397987
Energy: 0.3617255404911855
Energy: 0.36237105013632503
Energy: 0.439176737932088
Energy: 0.3620582448362087
Energy: 0.4297468321510408
Energy: 0.433221464242918
Energy: 0.3859381961386376
Energy: 0.39485494602996485
Energy: 0.4103432665197727
Energy: 0.37422718402847893
Energy: 0.36201595257282393
Energy: 0.41065373574866987
Energy: 0.42047278371404595
Energy: 0.36190501710730605
Energy: 0.4097615508492252
Energy: 0.4218376071197305
Energy: 0.4757929260564702
Energy: 0.4320517451934591
Energy: 0.47886727983519123
Energy: 0.4695026253325726
Energy: 0.4029982099381775
Energy: 0.46562231767190343
Energy: 0.4750230782418825
Energy: 0.39455274466944207
Energy: 0.4312110760312117
Energy: 0.45960266789164467
Energy: 0.398689626409395
Energy: 0.46682539688167196
Energy: 0.43536390883002146
Energy: 0.41011895017987304
Energy: 0.40760237347829426
Energy: 0.43567450993458817
Energy: 0.40982178939759767
Energy: 0.4212713773789275

minimum gb energy = 0.3401344055284351 eV
minimum distance =  2.62523920763742 Angstroms
sigma value = 33


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

Energy: 0.45312001834813087
Energy: 0.4709268436528262
Energy: 0.5175367031221538
Energy: 0.3856797030717288
Energy: 0.4708214323206482
Energy: 0.4529026195376748
Energy: 0.48481011411593655
Energy: 0.4712164675773835
Energy: 0.4710376142551634
Energy: 0.47057842905260233
Energy: 0.47169664673299994
Energy: 0.4544540924134069
Energy: 0.49463189915376454
Energy: 0.4545595309581201
Energy: 0.4537451690917018
Energy: 0.47385743494347177
Energy: 0.4903591289278186
Energy: 0.484879361221697
Energy: 0.47264056937362964
Energy: 0.48645816659494273
Energy: 0.4523188383058403
Energy: 0.4735869557267485
Energy: 0.45607454280021176
Energy: 0.48628067413162696
Energy: 0.4153323124450094
Energy: 0.4714671933773035
Energy: 0.47090689190825175
Energy: 0.41546433283499135
Energy: 0.4717246120206692
Energy: 0.4524993103857652
Energy: 0.3722906754027247
Energy: 0.483734237803777
Energy: 0.4544326766799323
Energy: 0.40726132341966775
Energy: 0.48344245171103817
Energy: 0.3715405625127383
Energy: 0.4151603303859857
Energy: 0.45356569959238596
Energy: 0.4149022278819446
Energy: 0.41513470445712886
Energy: 0.4832958615734232
Energy: 0.39553727694223234
Energy: 0.4152701631740593
Energy: 0.371431510566685
Energy: 0.3715957174308982
Energy: 0.41597192990888726
Energy: 0.40739891359999214
Energy: 0.415072659004129
Energy: 0.4673854637443205
Energy: 0.4166592964569516
Energy: 0.4264112001046415
Energy: 0.43027024247249257
Energy: 0.37149553041378514
Energy: 0.46495974895691966
Energy: 0.4678984920057515
Energy: 0.37186515515033464
Energy: 0.3713975986014723
Energy: 0.4296780991674884
Energy: 0.37240596717410723
Energy: 0.3710287103519414
Energy: 0.41628200273515026
Energy: 0.3716054251333137
Energy: 0.41652867465543647
Energy: 0.3733333830722895
Energy: 0.37141259545952543
Energy: 0.3726589539184651
Energy: 0.37446609924505797
Energy: 0.376072096891457
Energy: 0.371879685576578
Energy: 0.3752075029194673
Energy: 0.3812347427215546
Energy: 0.3718885193720513
Energy: 0.3713957147562336
Energy: 0.37137063057873637
Energy: 0.3711689038355823
Energy: 0.3715718229691473
Energy: 0.42967266363270024
Energy: 0.371464816772906
Energy: 0.36023577710241095
Energy: 0.44160818092635423
Energy: 0.396397771401144
Energy: 0.4260949049059525
Energy: 0.4158075540540016
Energy: 0.3844436927321388
Energy: 0.4188666497953763
Energy: 0.4155103588525479
Energy: 0.41525371388990484
Energy: 0.4187686088723994
Energy: 0.41638761456888207
Energy: 0.43195359271801176
Energy: 0.4829205049360639
Energy: 0.4219835907908342
Energy: 0.38206477975315173
Energy: 0.48915604309475746
Energy: 0.38159924178651894
Energy: 0.48723184986084594
Energy: 0.49314885091985927
Energy: 0.3826172627828167
Energy: 0.3813234448200253
Energy: 0.49363595165200447
Energy: 0.45000255816469176
Energy: 0.437026455982952
Energy: 0.4849621986638525
Energy: 0.47082716840856753
Energy: 0.4710652273316421
Energy: 0.47155550333945595
Energy: 0.47254261157953154
Energy: 0.4278510810045494
Energy: 0.38124093395354186
Energy: 0.47235550818134314
Energy: 0.4900443114522871
Energy: 0.4493193032380397
Energy: 0.47289784313893457
Energy: 0.4612599867370349
Energy: 0.44737602152605704
Energy: 0.47131847845362346
Energy: 0.47121286056634876
Energy: 0.44734294645826295
Energy: 0.47176163220789646
Energy: 0.45255032181488974
Energy: 0.494302340850431
Energy: 0.48662292374980337
Energy: 0.48734392845027424
Energy: 0.4736552115042625
Energy: 0.45455022873849493
Energy: 0.48561907358291434
Energy: 0.47442495845331906
Energy: 0.48678049652288025
Energy: 0.4539081719394257
Energy: 0.47361970903136186
Energy: 0.4880309207171379
Energy: 0.48552030131724755
Energy: 0.41543591907392347
Energy: 0.47132147525616025
Energy: 0.4527330230744378
Energy: 0.41557853316089005
Energy: 0.47166668764511055
Energy: 0.4842744140579684
Energy: 0.3717276599294954
Energy: 0.4848349174404869
Energy: 0.48380265198358785
Energy: 0.3714413798777362
Energy: 0.4844893372776707
Energy: 0.4184375750952014
Energy: 0.41514383698966356
Energy: 0.4533499704720708
Energy: 0.45327472210379605
Energy: 0.4151569331362823
Energy: 0.4830279177245152
Energy: 0.4153203021423546
Energy: 0.4159564320429746
Energy: 0.37137683064664284
Energy: 0.397944110377376
Energy: 0.41565766386058167
Energy: 0.40703852470939067
Energy: 0.3954374445733217
Energy: 0.4388794569885803
Energy: 0.40683040528352366
Energy: 0.3718474093944033
Energy: 0.4323580792751163
Energy: 0.41827524882798783
Energy: 0.4650438787094793
Energy: 0.4662253139201173
Energy: 0.3718972435424034
Energy: 0.37142008132502097
Energy: 0.426921616631063
Energy: 0.37303980292383593
Energy: 0.3710285187176279
Energy: 0.41457013759090966
Energy: 0.3716873392755774
Energy: 0.3716357726891005
Energy: 0.3732072938814963
Energy: 0.3714959979603908
Energy: 0.39623874169113543
Energy: 0.3713437274526251
Energy: 0.37608584076829993
Energy: 0.3718362985682372
Energy: 0.3713893190560796
Energy: 0.3815495318354858
Energy: 0.37189910058023506
Energy: 0.37460519266675185
Energy: 0.3712817742917863
Energy: 0.37132470084666175
Energy: 0.37528810120398676
Energy: 0.4284093126463833
Energy: 0.37150255318062053
Energy: 0.36068966258759727
Energy: 0.46656148496270805
Energy: 0.4677860960661248
Energy: 0.423532991748846
Energy: 0.4160705278854448
Energy: 0.44801931654535
Energy: 0.36045517986449316
Energy: 0.4186828713195658
Energy: 0.41587800881969855
Energy: 0.4059625753762975
Energy: 0.41614776594771696
Energy: 0.39657912079150304
Energy: 0.48134308407749
Energy: 0.3815348988593637
Energy: 0.40468929357657024
Energy: 0.48433444628166666
Energy: 0.38140876116829026
Energy: 0.4024766475586915
Energy: 0.4927738667681995
Energy: 0.3820453396021762
Energy: 0.3812695850204176
Energy: 0.4934717509080693
Energy: 0.36205684281161
Energy: 0.4288351427741164
Energy: 0.5255308397008529
Energy: 0.47059039518467893
Energy: 0.47766093233673335
Energy: 0.4724787292778477
Energy: 0.4738733390697917
Energy: 0.42635832286766867
Energy: 0.38124441248938096
Energy: 0.47308477786791703
Energy: 0.4898208694881042
Energy: 0.4490366331411533
Energy: 0.47305794213413016
Energy: 0.4279926678844625

minimum gb energy = 0.36023577710241095 eV
minimum distance =  2.657987081091 Angstroms
sigma value = 41


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

Energy: 0.616598707124773
Energy: 0.6643453105291528
Energy: 0.5444764355783261
Energy: 0.4108749857966693
Energy: 0.6601937242134167
Energy: 0.547281150981587
Energy: 0.513151679583843
Energy: 0.4867776078070538
Energy: 0.4900612634556969
Energy: 0.4882153980609219
Energy: 0.48822879829925003
Energy: 0.4234593014720902
Energy: 0.5310653349777005
Energy: 0.4256901923974377
Energy: 0.47210633408734903
Energy: 0.4872382433778082
Energy: 0.48227116798893144
Energy: 0.48585149599836813
Energy: 0.4858678525377852
Energy: 0.4142260178071034
Energy: 0.5066960693497855
Energy: 0.48644360647897383
Energy: 0.42605664049994385
Energy: 0.42750434277050714
Energy: 0.42712719730242
Energy: 0.48973995576470825
Energy: 0.4891660588793872
Energy: 0.427789380143936
Energy: 0.4875072095038058
Energy: 0.47106164936497114
Energy: 0.5148503170590093
Energy: 0.4937307764331202
Energy: 0.5117326619923788
Energy: 0.4132146512193925
Energy: 0.49480277798635597
Energy: 0.4261551778148219
Energy: 0.4285571813371089
Energy: 0.4736002552343605
Energy: 0.4161040359009029
Energy: 0.42839376073485896
Energy: 0.4727335640029247
Energy: 0.4170360985921948
Energy: 0.42595671562962856
Energy: 0.41513873406209456
Energy: 0.4148722186142352
Energy: 0.42666551121108104
Energy: 0.41688007614388084
Energy: 0.4260933670524051
Energy: 0.49847554341507677
Energy: 0.421767717391362
Energy: 0.4232916867989294
Energy: 0.40224235844054046
Energy: 0.461301810613611
Energy: 0.45404820131943296
Energy: 0.4566787231425906
Energy: 0.43060616217397585
Energy: 0.44563852106962903
Energy: 0.4166701606975043
Energy: 0.42834393457489967
Energy: 0.4134016714575928
Energy: 0.5066424310233388
Energy: 0.4272690475230645
Energy: 0.4160191467267504
Energy: 0.4717075073858198
Energy: 0.4016437148829144
Energy: 0.5113772674356817
Energy: 0.5262761441936392
Energy: 0.40130554716691536
Energy: 0.43782176562826075
Energy: 0.5267873303353328
Energy: 0.40136654593782917
Energy: 0.4775379435084556
Energy: 0.5544671405699013
Energy: 0.5107679643581726
Energy: 0.42119759400093254
Energy: 0.48903191403589474
Energy: 0.4899395378424752
Energy: 0.42100016860729844
Energy: 0.5279203960129494
Energy: 0.48670144583556363
Energy: 0.5123779865879363
Energy: 0.4044663432882976
Energy: 0.4861374470537641
Energy: 0.4481482414238997

minimum gb energy = 0.40130554716691536 eV
minimum distance =  2.69419247517933 Angstroms
sigma value = 11


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

Energy: 0.7416022468262489
Energy: 0.6120295794403247
Energy: 0.540400820230662
Energy: 0.4913093295817219
Energy: 0.6131626299075901
Energy: 0.5299753596403366
Energy: 0.6160494128141194
Energy: 0.48884438505963806
Energy: 0.48671258696188685
Energy: 0.5123032971844432
Energy: 0.4788075295277869
Energy: 0.4935364952996794
Energy: 0.6165011678926472
Energy: 0.4790189099903823
Energy: 0.4789886616415337
Energy: 0.5976077047233662
Energy: 0.47848902863643133
Energy: 0.4799065671791746
Energy: 0.5258040417606459
Energy: 0.47914182475716705
Energy: 0.4807747767395306
Energy: 0.48644708388501884
Energy: 0.5117718034211013
Energy: 0.4870567689608428
Energy: 0.51106210864691
Energy: 0.47866467614151226
Energy: 0.4953706057555687
Energy: 0.5039639788685526
Energy: 0.48015374774656544
Energy: 0.49032441176212355
Energy: 0.565186593196994
Energy: 0.4753816660249067
Energy: 0.47581017565850336
Energy: 0.4910880185224646
Energy: 0.47511513076609796
Energy: 0.47698982528325884
Energy: 0.47573282596572364
Energy: 0.4769016711814474
Energy: 0.4765291068333897
Energy: 0.4757998194603651
Energy: 0.47793787150256895
Energy: 0.4758218913377173
Energy: 0.4760037625906899
Energy: 0.49376523015647195
Energy: 0.4909788629498703
Energy: 0.4788381944795214
Energy: 0.5156128607447144
Energy: 0.49003825809471224
Energy: 0.4807257260101134
Energy: 0.5045933119153938
Energy: 0.5196916056595866
Energy: 0.48990222695453844
Energy: 0.4895641573816436
Energy: 0.4647019672774879
Energy: 0.4809197942189718
Energy: 0.4886161316025567
Energy: 0.521356358516261
Energy: 0.48956620565325776
Energy: 0.5081503865834794
Energy: 0.4648366735561538
Energy: 0.4755157502327248
Energy: 0.49969311883084644
Energy: 0.49448716139694315
Energy: 0.4793031092667415
Energy: 0.4937482240178153
Energy: 0.49001271684315245
Energy: 0.5232221601908923
Energy: 0.47682970484427506
Energy: 0.532270741787633
Energy: 0.5142887525830692
Energy: 0.49202214467246386
Energy: 0.5112886713786617
Energy: 0.4750749207425952
Energy: 0.5047616747517483
Energy: 0.5044763727970242
Energy: 0.47922184251309347
Energy: 0.5044525787829063
Energy: 0.4923029958700112
Energy: 0.4909179830014985
Energy: 0.5351481674734213
Energy: 0.5084506579976875
Energy: 0.49341886111258587
Energy: 0.5670360526634808
Energy: 0.4799004934855835
Energy: 0.4645983994430134
Energy: 0.48379618252400985
Energy: 0.47695570669404935
Energy: 0.4761090445334256
Energy: 0.49753856068799307
Energy: 0.5007107209935342
Energy: 0.46504094223980813
Energy: 0.4813632990432135
Energy: 0.47916076982817235
Energy: 0.4661944022210718
Energy: 0.48387582756920267
Energy: 0.4750541234008617
Energy: 0.46379442606013693
Energy: 0.48138895832202544
Energy: 0.48147892461407155
Energy: 0.46805001325710105
Energy: 0.4989573238907712
Energy: 0.480849241978331
Energy: 0.5943215028712721
Energy: 0.5115847868966846
Energy: 0.5018365970828287
Energy: 0.491705465718133
Energy: 0.513712265346591
Energy: 0.48836843524977597
Energy: 0.49172651976678733
Energy: 0.4827530306592216
Energy: 0.48326578806948345
Energy: 0.49499404846825423
Energy: 0.49184057550244087
Energy: 0.5023586734703153
Energy: 0.5650826853084041
Energy: 0.46386966567852284
Energy: 0.4641132599528058
Energy: 0.515086106692429
Energy: 0.49126173516045724
Energy: 0.4819839571919392
Energy: 0.5119710856561827
Energy: 0.46400172674273554
Energy: 0.49207012325886673
Energy: 0.49008284404474034
Energy: 0.5032049726036975
Energy: 0.49149935643217896
Energy: 0.48526401293256705
Energy: 0.49047805189675003
Energy: 0.4985921447381611
Energy: 0.48273322504952626
Energy: 0.4900838878905539
Energy: 0.4973115926472994
Energy: 0.4744668586872432
Energy: 0.49152415963493407
Energy: 0.4858097338878703
Energy: 0.49086517519903605
Energy: 0.5157886136842335
Energy: 0.47828081359225516
Energy: 0.5449006019468807
Energy: 0.4967731845907147
Energy: 0.5000086561169689
Energy: 0.49602618014071953
Energy: 0.498305129806596
Energy: 0.5018819716809826
Energy: 0.5115102945070392
Energy: 0.4955841617048916
Energy: 0.4909979088088185
Energy: 0.5124645278026942
Energy: 0.48456812082761225
Energy: 0.49118437298515144
Energy: 0.5323564735440962
Energy: 0.46887639023974176
Energy: 0.5019986644857444
Energy: 0.500153688411565
Energy: 0.46815254071642615
Energy: 0.48123134083760194
Energy: 0.5292442618747819
Energy: 0.46376365868159314
Energy: 0.46405870703082036
Energy: 0.48323955090150816
Energy: 0.46665331855771586
Energy: 0.4762920267998779
Energy: 0.5252444657140567
Energy: 0.4761927271299997
Energy: 0.5168105875547079
Energy: 0.5112701563023108
Energy: 0.4760099889787567
Energy: 0.4769308181469739
Energy: 0.5685871354710208
Energy: 0.49109542368291037
Energy: 0.49977830097916365
Energy: 0.5694797782098144
Energy: 0.490974457254998
Energy: 0.5037826011885443
Energy: 0.6164151510726956
Energy: 0.48679379360270963
Energy: 0.48740653224028113
Energy: 0.510725792071213
Energy: 0.4842880997630168
Energy: 0.4933110477230568
Energy: 0.46345751100884164
Energy: 0.5317928770679913
Energy: 0.5028164613540833
Energy: 0.4919461163785779
Energy: 0.5107611472925211
Energy: 0.5244528500581802

minimum gb energy = 0.46345751100884164 eV
minimum distance =  2.63629207664326 Angstroms
sigma value = 57


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

Energy: 0.6466422210018726
Energy: 0.7078959319792624
Energy: 0.5583548113716066
Energy: 0.5578590474091821
Energy: 0.7020376309387364
Energy: 0.5607897025801067
Energy: 0.5587348477099071
Energy: 0.4858258536228826
Energy: 0.4768118270330739
Energy: 0.4832233019735423
Energy: 0.48495445898541534
Energy: 0.47990317566451995
Energy: 0.5063071535949051
Energy: 0.4777670861346269
Energy: 0.4754035335121077
Energy: 0.507218665575347
Energy: 0.4726483359117449
Energy: 0.4771497496031746
Energy: 0.47694028742143474
Energy: 0.48131050920298357
Energy: 0.47561549080284066
Energy: 0.4819390550496008
Energy: 0.4823971598046289
Energy: 0.47554707717150674
Energy: 0.4819501611940175
Energy: 0.48461871121720035
Energy: 0.47691445425978785
Energy: 0.48363695160479003
Energy: 0.4840775021496621
Energy: 0.47504821581435447
Energy: 0.4991514543896403
Energy: 0.5065480947587387
Energy: 0.5145568688169423
Energy: 0.4842629870252621
Energy: 0.5052760123727548
Energy: 0.532803300237326
Energy: 0.5086872769144883
Energy: 0.4993153471405454
Energy: 0.4907829059423654
Energy: 0.5064440486777271
Energy: 0.49439214330711656
Energy: 0.5140128998852812
Energy: 0.5059793668414524
Energy: 0.4826427221489233
Energy: 0.48057062115019683
Energy: 0.4844120659205434
Energy: 0.4834394337322899
Energy: 0.47477753015857216
Energy: 0.4592671449191654
Energy: 0.47656864459190124
Energy: 0.4612202542107734
Energy: 0.45904665381235427
Energy: 0.5130108864480926
Energy: 0.46026268586464403
Energy: 0.4592320936221073
Energy: 0.4752763268025872
Energy: 0.4604481718863351
Energy: 0.4590325216700219
Energy: 0.5061794214922546
Energy: 0.4599098446905286
Energy: 0.5058436422315183
Energy: 0.48289184021926923
Energy: 0.48120988844874474
Energy: 0.4843616986636987
Energy: 0.47996303613794183
Energy: 0.4744723582861089
Energy: 0.5058818216694152
Energy: 0.5301022514927857
Energy: 0.5305916173175621
Energy: 0.506566215141375
Energy: 0.5308772148008665
Energy: 0.516243572672716
Energy: 0.48281659356626677
Energy: 0.4848982478712727
Energy: 0.4782461636216073
Energy: 0.48512076922887837
Energy: 0.48637425174961246
Energy: 0.4806240752638343
Energy: 0.49964742501397197
Energy: 0.5136052465695707
Energy: 0.5166425865498417
Energy: 0.4856063596461309
Energy: 0.5068967836325347
Energy: 0.520699159176437
Energy: 0.5059545723136937
Energy: 0.49937557636767205
Energy: 0.4766371946677727
Energy: 0.49639087197038395
Energy: 0.4992977466804729
Energy: 0.4743302103104734
Energy: 0.5062681440523392
Energy: 0.4993608377583823
Energy: 0.46009640934321644
Energy: 0.5076765870387038
Energy: 0.4990860199860262
Energy: 0.47651987646247707
Energy: 0.45899943998057363
Energy: 0.4800281322117373
Energy: 0.47870557124091356
Energy: 0.4593328706945088
Energy: 0.48514664092246435
Energy: 0.48256921958142407

minimum gb energy = 0.45899943998057363 eV
minimum distance =  2.64532664582287 Angstroms
sigma value = 9


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

Energy: 0.8156438913170717
Energy: 0.7373754250065433
Energy: 0.5797913979803363
Energy: 0.5360879065610541
Energy: 0.7366969593121773
Energy: 0.531421063455453
Energy: 0.6090236903588245
Energy: 0.5226563548462103
Energy: 0.5206763649264797
Energy: 0.5160227235310109
Energy: 0.521102420832571
Energy: 0.5187651717347991
Energy: 0.5672463539005242
Energy: 0.5238120695346252
Energy: 0.5458477492131711
Energy: 0.5690981543129882
Energy: 0.5231905139174016
Energy: 0.55414603242751
Energy: 0.5373530720887112
Energy: 0.5289644288004605
Energy: 0.5285733869527652
Energy: 0.5397843476459204
Energy: 0.5304535293732732
Energy: 0.528749708001089
Energy: 0.5088125270276385
Energy: 0.516395625242753
Energy: 0.5194955437502186
Energy: 0.511769742618788
Energy: 0.5204816820018677
Energy: 0.514147495933566
Energy: 0.5242492178110815
Energy: 0.5173714471432482
Energy: 0.5190545515497478
Energy: 0.5178065494923437
Energy: 0.5244847227235319
Energy: 0.5189445422019136
Energy: 0.5775577854885311
Energy: 0.5550902648617594
Energy: 0.5262307635621905
Energy: 0.5778345338804244
Energy: 0.5274749245277622
Energy: 0.5521617231592896
Energy: 0.5328413412292571
Energy: 0.5297585457174799
Energy: 0.5210655594555452
Energy: 0.5283032800871066
Energy: 0.5265419421205737
Energy: 0.5214977063865681
Energy: 0.5877444216349162
Energy: 0.5328108762853511
Energy: 0.5419111690579198
Energy: 0.514696762521583
Energy: 0.5531124414971185
Energy: 0.5287595644256753
Energy: 0.5881822922426739
Energy: 0.5215085220199814
Energy: 0.5201796287717173
Energy: 0.5151750052541854
Energy: 0.5275272696526438
Energy: 0.5155239354519137
Energy: 0.5329291881680707
Energy: 0.5211069697749081
Energy: 0.5194518738641113
Energy: 0.5217125493287414
Energy: 0.5134983277423
Energy: 0.5207749343526481
Energy: 0.5327047398541946
Energy: 0.5137973566809809
Energy: 0.5171785741736046
Energy: 0.5334906426080137
Energy: 0.5112087612989307
Energy: 0.513006416276705
Energy: 0.5916547066409723
Energy: 0.5454158107678838
Energy: 0.53064961710759
Energy: 0.5287011424101162
Energy: 0.5461750376943637
Energy: 0.5176376257083893
Energy: 0.5971993773258119
Energy: 0.5281158209077959
Energy: 0.5285208968428675
Energy: 0.5198445482544383
Energy: 0.5215006412950748
Energy: 0.5277751958654194
Energy: 0.5397151242980058
Energy: 0.5116211396220491
Energy: 0.5145783106057839
Energy: 0.539865639489202
Energy: 0.5113356748082573
Energy: 0.5181650750925886
Energy: 0.5380025387448639
Energy: 0.5346906694269232
Energy: 0.5398573714329956
Energy: 0.537781002669252
Energy: 0.5627202875560712
Energy: 0.5349194827955996
Energy: 0.5315045425029318
Energy: 0.5290120089655772
Energy: 0.5286958841255338
Energy: 0.5324599406341619
Energy: 0.5305914794912405
Energy: 0.5291539671928296
Energy: 0.5505734831612618
Energy: 0.538361469009184
Energy: 0.5449293313756839
Energy: 0.521992253847841
Energy: 0.546240409469939
Energy: 0.5408502915874792
Energy: 0.5571614949466422
Energy: 0.5175715799982874
Energy: 0.5194905538434673
Energy: 0.5599483767589915
Energy: 0.5167709816052776
Energy: 0.5197925869867578
Energy: 0.5586957856147864
Energy: 0.5180299344152288
Energy: 0.5197587642337518
Energy: 0.5405305191979418
Energy: 0.51703377250372
Energy: 0.5213733304485711
Energy: 0.5723236236740684
Energy: 0.5167572332814894
Energy: 0.5212676511872683
Energy: 0.5256512749922037
Energy: 0.5213134194141819
Energy: 0.5181101035141574

minimum gb energy = 0.5088125270276385 eV
minimum distance =  2.59900320708219 Angstroms
sigma value = 27


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

Energy: 0.441903102918443
Energy: 0.6899868636498865
Energy: 0.44322952590245357
Energy: 0.44497934929812355
Energy: 0.6942443590693502
Energy: 0.44223005179436414
Energy: 0.5407575202264313
Energy: 0.4651082280907388
Energy: 0.4963336029117723
Energy: 0.4495919008840457
Energy: 0.4651456411678337
Energy: 0.49431933419960844
Energy: 0.48499984526897233
Energy: 0.4660534133249589
Energy: 0.465105072183487
Energy: 0.4766514961794988
Energy: 0.44582224085957994
Energy: 0.4748334172334502
Energy: 0.48356578163144726
Energy: 0.4528094602016785
Energy: 0.4521093057702203
Energy: 0.483983030553374
Energy: 0.45052443012656435
Energy: 0.45437971505391545
Energy: 0.4548852194622178
Energy: 0.48935478668126803
Energy: 0.4840692447026804
Energy: 0.4559620258619065
Energy: 0.4509601044368388
Energy: 0.4523714840616121
Energy: 0.48253382116158955
Energy: 0.4752211285668369
Energy: 0.4840510100684346
Energy: 0.48446034048871095
Energy: 0.4736716750709722
Energy: 0.4736777237539286
Energy: 0.4849289677210408
Energy: 0.44751561995066225
Energy: 0.4427594821393054
Energy: 0.48720765567949736
Energy: 0.4477736380115924
Energy: 0.4425308927525514
Energy: 0.5126344673894397
Energy: 0.4846382003098184
Energy: 0.45205730359379087
Energy: 0.45462898243609423
Energy: 0.4846807829843369
Energy: 0.4533247670366999
Energy: 0.5393004177913866
Energy: 0.47515379458737245
Energy: 0.4742667312600238
Energy: 0.4525721160257923
Energy: 0.4761824558981327
Energy: 0.47428777420221324
Energy: 0.5405391848878484
Energy: 0.47543733840054636
Energy: 0.4753857600384775
Energy: 0.4533876086351609
Energy: 0.47509684529330903
Energy: 0.4522982841499204
Energy: 0.5151804975168212
Energy: 0.45115095321453613
Energy: 0.453568268128112
Energy: 0.4523337442817038
Energy: 0.4564997498766446
Energy: 0.48534814127156134
Energy: 0.5133145204710354
Energy: 0.47728849478815344
Energy: 0.4758056515261655
Energy: 0.5125255521606217
Energy: 0.480978965374416
Energy: 0.4748293465928665
Energy: 0.4461437542959392
Energy: 0.4892664786143636
Energy: 0.44337445081710086
Energy: 0.4427543386535071
Energy: 0.4516345132228366
Energy: 0.44302180834366817
Energy: 0.44250534565731714
Energy: 0.4493546598214147
Energy: 0.4865439468721224
Energy: 0.4425423974201456
Energy: 0.45118935579796055
Energy: 0.44472671230094435
Energy: 0.484203922848216
Energy: 0.4515971109609481
Energy: 0.4514492975513108
Energy: 0.47720076128054
Energy: 0.4546270094705165
Energy: 0.4528277614055352
Energy: 0.48291669450455965
Energy: 0.465517522241877
Energy: 0.4736758064721606
Energy: 0.4846004986828858
Energy: 0.45411640746597776
Energy: 0.47449448957445206
Energy: 0.45598313047114375
Energy: 0.4497358658791205
Energy: 0.49566529212779675
Energy: 0.4566802569950037
Energy: 0.4522296192715589
Energy: 0.4528037071474273
Energy: 0.4490954062576946
Energy: 0.4550859151700108
Energy: 0.486554010393643
Energy: 0.44868333437639385
Energy: 0.45200257877216526
Energy: 0.45211480508956514
Energy: 0.5111136409589286
Energy: 0.4427838643680243
Energy: 0.4437500345978536
Energy: 0.514234968506837
Energy: 0.44284948711797395
Energy: 0.44393679938194924
Energy: 0.5124685949617273
Energy: 0.44286689931917833
Energy: 0.4438775763462391
Energy: 0.5037919020130277
Energy: 0.44316478716350277
Energy: 0.4439241746010614
Energy: 0.5337634248912482
Energy: 0.4493574302792437
Energy: 0.4568247734044731
Energy: 0.44905862922203227
Energy: 0.47682828797650734
Energy: 0.4525564661485283
Energy: 0.4443758286748171
Energy: 0.47561841634142427
Energy: 0.47461327446643936
Energy: 0.44478614222042523
Energy: 0.47555897050658036
Energy: 0.473562462338401
Energy: 0.513056722014269
Energy: 0.4778630861769224
Energy: 0.47692712300415574
Energy: 0.4645106041173816
Energy: 0.45168001569227434
Energy: 0.4744886545757299
Energy: 0.5131782647186431
Energy: 0.46808380193350074
Energy: 0.4711279940666322
Energy: 0.5067331214539991
Energy: 0.45367457078185075
Energy: 0.45098368153067636
Energy: 0.4423250572943568
Energy: 0.453783102439122
Energy: 0.4873669711847284
Energy: 0.4428350752006791
Energy: 0.45191084395096986
Energy: 0.44471371958503564

minimum gb energy = 0.441903102918443 eV
minimum distance =  2.62788335240444 Angstroms
sigma value = 19


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

Energy: 0.5308865463633655
Energy: 0.4739655841554993
Energy: 0.4501197068471387
Energy: 0.4640533786499286
Energy: 0.4765738499531234
Energy: 0.4501669588752786
Energy: 0.5670754706537223
Energy: 0.5234811730714297
Energy: 0.4645974478418096
Energy: 0.46416664972633986
Energy: 0.47238910495496356
Energy: 0.47011576363268487
Energy: 0.5658721147899898
Energy: 0.470968502083882
Energy: 0.47001877387443153
Energy: 0.5404119364718843
Energy: 0.4661159975135676
Energy: 0.4753066960766198
Energy: 0.562869770466303
Energy: 0.46677519622363267
Energy: 0.4692072192901211
Energy: 0.5028082267039045
Energy: 0.4653110411043806
Energy: 0.4696599431921258
Energy: 0.46573514862016846
Energy: 0.5318564135651708
Energy: 0.4758922857952811
Energy: 0.46762075344768483
Energy: 0.5411031996317891
Energy: 0.4747573173547483
Energy: 0.48002186833121985
Energy: 0.4712392045847647
Energy: 0.46391469813010383
Energy: 0.48147458464248727
Energy: 0.46481056994688835
Energy: 0.48742851539906695
Energy: 0.557629807450408
Energy: 0.45776902230337435
Energy: 0.46272936090733635
Energy: 0.5763238799227591
Energy: 0.4573422680677439
Energy: 0.46245051863357156
Energy: 0.45897746737844514
Energy: 0.4581333095684482
Energy: 0.47057920317602103
Energy: 0.45973045241169314
Energy: 0.4585369026430051
Energy: 0.4698951687676773
Energy: 0.4591414466719395
Energy: 0.47206902577295007
Energy: 0.47076226683082945
Energy: 0.4651492749005994
Energy: 0.47107326111875863
Energy: 0.47037263413500946
Energy: 0.4586200009828366
Energy: 0.49418606339400023
Energy: 0.47634324242773857
Energy: 0.46527189271918146
Energy: 0.4951597321317838
Energy: 0.47678091672883155
Energy: 0.5576721205903075
Energy: 0.4510557050461312
Energy: 0.4501668064860778
Energy: 0.5584409217675632
Energy: 0.4506645903894876
Energy: 0.450727210761746
Energy: 0.5709776200703273
Energy: 0.46194552396528393
Energy: 0.4563386933924572
Energy: 0.49733679703171035
Energy: 0.4651776574678926
Energy: 0.45536937599132976
Energy: 0.48563075248641796
Energy: 0.491392867292295
Energy: 0.509510632588786
Energy: 0.4573955807287132
Energy: 0.4897281433735528
Energy: 0.4767488439648143
Energy: 0.5188993057739643
Energy: 0.4512590436165865
Energy: 0.49975147489572713
Energy: 0.449391186320209
Energy: 0.479818950823561
Energy: 0.4760216880589301
Energy: 0.5376752262287381
Energy: 0.46064444140518285
Energy: 0.45537590790735794
Energy: 0.4557349776963886
Energy: 0.4615487808637387
Energy: 0.4501989777030396
Energy: 0.5375821349073839
Energy: 0.46117781210740244
Energy: 0.45566481467679765
Energy: 0.4636436409442043
Energy: 0.4621899399938444
Energy: 0.4592025436209241
Energy: 0.47167561376166073
Energy: 0.5092508541017509
Energy: 0.4768078312898587
Energy: 0.4509966415318852
Energy: 0.5221437202706032
Energy: 0.476607343523421
Energy: 0.503601859788904
Energy: 0.4855241405416681
Energy: 0.4552114422801291
Energy: 0.44948871978084537
Energy: 0.5012256821149815
Energy: 0.4500484815846063
Energy: 0.5295957986693244
Energy: 0.4626305818894904
Energy: 0.49114350873372725
Energy: 0.5310538914061357
Energy: 0.4491888151188436
Energy: 0.5072349718445406
Energy: 0.5217256826964227
Energy: 0.4539486576537578
Energy: 0.49180086902850484
Energy: 0.5014821531234748
Energy: 0.44893600276155815
Energy: 0.4905056547458153
Energy: 0.4521485196716266
Energy: 0.45012103033645395
Energy: 0.4552331397724049
Energy: 0.4501617235627931
Energy: 0.45564149809016347
Energy: 0.4502049099431116
Energy: 0.4656371899389983
Energy: 0.4613232269900604
Energy: 0.46211014116778953
Energy: 0.46638598709006324
Energy: 0.4503787949409601
Energy: 0.4562311615537742
Energy: 0.48357182468363213
Energy: 0.46566790568503036
Energy: 0.4750256060077435
Energy: 0.456372722732457
Energy: 0.4655863342313223
Energy: 0.4968566357844426
Energy: 0.4937365910334251
Energy: 0.4472360729472643
Energy: 0.45024355094688145
Energy: 0.48447434735178846
Energy: 0.44749808785727896
Energy: 0.5120196244514629
Energy: 0.48762527584256726
Energy: 0.5006480300875549
Energy: 0.45023338758960657
Energy: 0.46206486590515755
Energy: 0.5019916900623723
Energy: 0.45004234244351177
Energy: 0.46975746784997086
Energy: 0.46409262835455317
Energy: 0.46511509276379903
Energy: 0.46398339468729394
Energy: 0.5341021926947661
Energy: 0.47027973326513045
Energy: 0.5543435994881426
Energy: 0.47616764142401125
Energy: 0.4761986436515811
Energy: 0.4759415902445453
Energy: 0.4723609773849144
Energy: 0.47608737412049984
Energy: 0.5497218421856721
Energy: 0.4699396067980024
Energy: 0.47060814655030697
Energy: 0.47079274879402483
Energy: 0.46988207205827504
Energy: 0.47099778405536435
Energy: 0.49971344082288127
Energy: 0.4879446324681947
Energy: 0.515389802890194
Energy: 0.44581706267899796
Energy: 0.45996897614852017
Energy: 0.4773506848572399

minimum gb energy = 0.44581706267899796 eV
minimum distance =  2.61784012571791 Angstroms
sigma value = 101


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

Energy: 0.7049068870782078
Energy: 0.447542374394607
Energy: 0.4461368349872202
Energy: 0.6357342489857399
Energy: 0.44681798723369803
Energy: 0.6356007677051376
Energy: 0.5722319024233448
Energy: 0.45109335979674503
Energy: 0.4531801673031043
Energy: 0.4484477157212027
Energy: 0.4379929597091392
Energy: 0.44768082229451855
Energy: 0.5768827483699739
Energy: 0.44850430987207657
Energy: 0.4489176056856425
Energy: 0.5375519248347453
Energy: 0.4483815820446569
Energy: 0.44862878962547664
Energy: 0.45907304353651074
Energy: 0.44831909300333883
Energy: 0.4476829377445812
Energy: 0.448463221450616
Energy: 0.4479873132391539
Energy: 0.453372198113614
Energy: 0.44566532041480394
Energy: 0.5385255378714742
Energy: 0.44911903617125876
Energy: 0.44828985478648303
Energy: 0.5401574432941267
Energy: 0.4465874537585107
Energy: 0.47242459155933336
Energy: 0.48907749888567653
Energy: 0.4533336934352063
Energy: 0.4718130974592326
Energy: 0.48900461006456436
Energy: 0.4473430815149181
Energy: 0.45237241812425644
Energy: 0.43618857213702295
Energy: 0.4447859630930707
Energy: 0.4469544260605818
Energy: 0.4360032762077203
Energy: 0.4457131267235846
Energy: 0.4372817000518666
Energy: 0.44839561568867453
Energy: 0.4476568529518575
Energy: 0.43844212620906353
Energy: 0.4365260992239173
Energy: 0.4466233449296071
Energy: 0.4387411588946086
Energy: 0.4456888046915025
Energy: 0.447849629513763
Energy: 0.44004258765494075
Energy: 0.4466968203301902
Energy: 0.4479705126483358
Energy: 0.43758681434033553
Energy: 0.4386075125596372
Energy: 0.43886247585647725
Energy: 0.4471094973851781
Energy: 0.4809539849742704
Energy: 0.4461608292862093
Energy: 0.5638538664768478
Energy: 0.4257678261400031
Energy: 0.42617175860014606
Energy: 0.5397485228898694
Energy: 0.42573662555549147
Energy: 0.5208473267243183
Energy: 0.4998158361404386
Energy: 0.4478339413258124
Energy: 0.44738915001329593
Energy: 0.4632374687035854
Energy: 0.4489202500580551
Energy: 0.44490474917081996
Energy: 0.45459956976308247
Energy: 0.5472566142068909
Energy: 0.44727337620863916
Energy: 0.4372528081968718
Energy: 0.5276084695083673
Energy: 0.44754913081911785
Energy: 0.4540495042444241
Energy: 0.47458126353413416
Energy: 0.4672902868684386
Energy: 0.44529932006772616
Energy: 0.4544178113317615
Energy: 0.447945690575296
Energy: 0.552833542960935
Energy: 0.44981224770363615
Energy: 0.44803298797233365
Energy: 0.44418907099891886
Energy: 0.4469076897487057
Energy: 0.4475884275075729
Energy: 0.5528880132168225
Energy: 0.44788238102652955
Energy: 0.44868702710756575
Energy: 0.4710323438962906
Energy: 0.4565209568317715
Energy: 0.44779521598061306
Energy: 0.7089520708435794
Energy: 0.48168138176392566
Energy: 0.4645155873313749
Energy: 0.4247089974903287
Energy: 0.4808041680095505
Energy: 0.4245329211236834
Energy: 0.5392769697190412
Energy: 0.43790777160257127
Energy: 0.44739944294886336
Energy: 0.4667760177549714
Energy: 0.43779551337440076
Energy: 0.44647603706673306
Energy: 0.5792916164988559
Energy: 0.44813073699650746
Energy: 0.44826575151171455
Energy: 0.5373830958180137
Energy: 0.44820700070097913
Energy: 0.4480101428773237
Energy: 0.5051368350272817
Energy: 0.44843572090927125
Energy: 0.44853654084406924
Energy: 0.4473641422854337
Energy: 0.44786792229472505
Energy: 0.44787040598314165
Energy: 0.44740127020359677
Energy: 0.5037280213730733
Energy: 0.44836067538789576
Energy: 0.4478875270956596
Energy: 0.5383841583024032
Energy: 0.4465395837784626
Energy: 0.4723145910480507
Energy: 0.4468432922688297
Energy: 0.4458342667597784
Energy: 0.4734861343482952
Energy: 0.4473160814618699
Energy: 0.44779689462944
Energy: 0.45301117709863
Energy: 0.4363282684802841
Energy: 0.4360259876793195
Energy: 0.4538969241569248
Energy: 0.43673973087664336
Energy: 0.43606783660291226
Energy: 0.4373418156556978
Energy: 0.4597197167350025
Energy: 0.45206646636045245
Energy: 0.4382162541994802
Energy: 0.44821161339455284
Energy: 0.46921343434131974
Energy: 0.44116359544115014
Energy: 0.4386496410692059
Energy: 0.4469078057031133
Energy: 0.44798814432972844
Energy: 0.4465819592221219
Energy: 0.4480112395445207
Energy: 0.4383730929383291
Energy: 0.4387700923940213
Energy: 0.4440742885760462
Energy: 0.4393604544792436
Energy: 0.447945685650181
Energy: 0.4479678639506107
Energy: 0.5378925216483751
Energy: 0.42574263039336857
Energy: 0.4257008354396235
Energy: 0.49689820047135086
Energy: 0.4259160744738484
Energy: 0.4261256102092933
Energy: 0.5274221661665998
Energy: 0.42615231440335105
Energy: 0.42630070867217634
Energy: 0.5280688614901813
Energy: 0.42598661470462024
Energy: 0.4471344560092319
Energy: 0.4555437302083287
Energy: 0.45301766201307897
Energy: 0.4606165830709905
Energy: 0.4357623332784018
Energy: 0.5278742545844863
Energy: 0.460308927887609
Energy: 0.45556750106813143
Energy: 0.45318613559656595
Energy: 0.47248042886343294
Energy: 0.4358743245122527
Energy: 0.47695834146006416
Energy: 0.4722019479297787
Energy: 0.5579556204711599
Energy: 0.445765563770814
Energy: 0.44741502009775913
Energy: 0.44511686396180017
Energy: 0.44782809490788394
Energy: 0.4458327013868355
Energy: 0.553203769467557
Energy: 0.44724687924970724
Energy: 0.4478192936391701
Energy: 0.4466636846580341
Energy: 0.4474250513994562
Energy: 0.4473391564252108
Energy: 0.46110015401289545
Energy: 0.43804566420819513
Energy: 0.4689808017621941
Energy: 0.4246448172191014
Energy: 0.43852516438964834
Energy: 0.4695954624155045

minimum gb energy = 0.4245329211236834 eV
minimum distance =  2.62856464583944 Angstroms
sigma value = 33


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

Energy: 0.011681160832676733
Energy: 0.40740967463879596
Energy: 0.01205598167426954
Energy: 0.013057143735767716
Energy: 0.4065729027598655
Energy: 0.011945906961337334
Energy: 0.3369397903642277
Energy: 0.06317052711595404
Energy: 0.06230032468980516
Energy: 0.06173943124519938
Energy: 0.062158497353330185
Energy: 0.06190743157483943
Energy: 0.6820619052284953
Energy: 0.4076538109246527
Energy: 0.40603184668735
Energy: 0.4055298337772376
Energy: 0.40629902603078355
Energy: 0.40581588364322246
Energy: 0.33693979036493443
Energy: 0.0631705271163074
Energy: 0.06230032469013888
Energy: 0.061739431245533105
Energy: 0.06215849735299647
Energy: 0.0619074315755265

minimum gb energy = 0.011681160832676733 eV
minimum distance =  2.82842506596199 Angstroms
sigma value = 1