Model name: model_name=EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.040926471352577
cohesive_energy=3.905455928316686
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.012080870147655944
Energy: 0.012875973522040757
Energy: 0.4523448046584881
Energy: 0.012875973522542722
Energy: 0.012875973522542722
Energy: 0.42453642287707116
Energy: 0.012875973523016797
Energy: 0.4245364228775731
Energy: 0.4523448046584881
Energy: 0.012875973523016797
Energy: 0.012080870148157907
Energy: 0.012875973522542722
Energy: 0.012875973522542722
Energy: 0.42453642287707116
Energy: 0.012875973522040757
Energy: 0.42453642287707116

minimum gb energy = 0.012080870147655944 eV
minimum distance =  2.80393002093021 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.5429000851222537
Energy: 0.5782848800382941
Energy: 0.5792410707532287
Energy: 0.5782848800376854
Energy: 0.5571041577461281
Energy: 0.5666795332791263
Energy: 0.5380179521874331
Energy: 0.5666795332803438
Energy: 0.5183523604077352
Energy: 0.5710094686934961
Energy: 0.5315332579672204
Energy: 0.5710094686928874
Energy: 0.5372061962602358
Energy: 0.5458196051674783
Energy: 0.5272091337252324
Energy: 0.5458196051674783
Energy: 0.5336034416652737
Energy: 0.5829679365272143
Energy: 0.5490455447406598
Energy: 0.5829679365290129
Energy: 0.5320138037772819
Energy: 0.5603336828073023
Energy: 0.5010291516164809
Energy: 0.5603336828066936
Energy: 0.5586693050259252
Energy: 0.5707340916151287
Energy: 0.5331496211916767
Energy: 0.5707340916169549
Energy: 0.5150624065386529
Energy: 0.5827829734953894
Energy: 0.49974768440990863
Energy: 0.5827829734959982
Energy: 0.5283737361527344
Energy: 0.5422245384351072
Energy: 0.5700088472275653
Energy: 0.5422245384369335
Energy: 0.49723274323762595
Energy: 0.5702996590600427
Energy: 0.5129503076512211
Energy: 0.5702996590630867
Energy: 0.5542442746105019
Energy: 0.5678348340650012
Energy: 0.5280762700935431
Energy: 0.5678348340662188
Energy: 0.5499060443501482
Energy: 0.5825810440029653
Energy: 0.5057479550576548
Energy: 0.5825810440011389
Energy: 0.5465915820372523
Energy: 0.5694018576756652
Energy: 0.5562068747947506
Energy: 0.5694018576720126
Energy: 0.5344872255493858
Energy: 0.5602203348953818
Energy: 0.5186570591864988
Energy: 0.5602203348959907
Energy: 0.5491088162661454
Energy: 0.579735315438779
Energy: 0.5420093320627838
Energy: 0.5797353154399966
Energy: 0.5493078473929971
Energy: 0.5805523830214662
Energy: 0.5637308866394258
Energy: 0.580552383019031
Energy: 0.5314292719222882
Energy: 0.5709936579614409
Energy: 0.5083467541386402
Energy: 0.570993657960832
Energy: 0.5383022866778674
Energy: 0.56782978810751
Energy: 0.5602108253280651
Energy: 0.5678297881050749
Energy: 0.5579962505833829
Energy: 0.5809254534964333
Energy: 0.5050030867869552
Energy: 0.5809254534964333
Energy: 0.5581348934298316
Energy: 0.5391054490916083
Energy: 0.5277624486811415
Energy: 0.5391054490916083
Energy: 0.49882235625385274
Energy: 0.5711139362985832
Energy: 0.5046499851234734
Energy: 0.5711139362973656
Energy: 0.5268596299447551
Energy: 0.5456999796220101
Energy: 0.5513291412862606
Energy: 0.5456999796153135
Energy: 0.5822910197359089
Energy: 0.5831889364439478
Energy: 0.5239562105316162
Energy: 0.5831889364421214
Energy: 0.5329841736887574
Energy: 0.5702676631243405
Energy: 0.5321096607914657
Energy: 0.5702676631243405
Energy: 0.5328272808502051
Energy: 0.5624138156686174
Energy: 0.592834564615751
Energy: 0.562413815666791
Energy: 0.5280767218314161
Energy: 0.5826474838551783
Energy: 0.5239560558836073
Energy: 0.5826474838563958
Energy: 0.5541223770155573
Energy: 0.5741072093966403
Energy: 0.5279539752954397
Energy: 0.574107209397249
Energy: 0.5204360416464443
Energy: 0.5691503205795846
Energy: 0.5299224504173097
Energy: 0.5691503205795846
Energy: 0.5571545027190802
Energy: 0.5680760742245353
Energy: 0.5502118164945793
Energy: 0.5680760742239265
Energy: 0.5435475754133104
Energy: 0.5791311704702911
Energy: 0.5515891836095018
Energy: 0.5791311704696824
Energy: 0.545436112903313
Energy: 0.558077773138045
Energy: 0.5467301993574218
Energy: 0.5580777731343923
Energy: 0.5332527261788287
Energy: 0.573362537241179
Energy: 0.5347261826907598
Energy: 0.573362537241179
Energy: 0.5334901913620992
Energy: 0.5727714864075631
Energy: 0.5269890646245858
Energy: 0.5727714864075631

minimum gb energy = 0.49723274323762595 eV
minimum distance =  2.52490502858731 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.5647938323746486
Energy: 0.5654693680226475
Energy: 0.6115840446101836
Energy: 0.5654693680240356
Energy: 0.5556103446108602
Energy: 0.5943018374124772
Energy: 0.5691273491798615
Energy: 0.5943018374103949
Energy: 0.5531926909074123
Energy: 0.5668941149872628
Energy: 0.5571266124856084
Energy: 0.5668941149858747
Energy: 0.5147598265042211
Energy: 0.5412725199822268
Energy: 0.5461282086105601
Energy: 0.5412725199850033
Energy: 0.5147511379792513
Energy: 0.5570491049245632
Energy: 0.5560723464837961
Energy: 0.5570491049308102
Energy: 0.5746244147870689
Energy: 0.5568562860248788
Energy: 0.560781185963202
Energy: 0.5568562860269614
Energy: 0.5554801164988351
Energy: 0.5404817817494638
Energy: 0.5434544004199258
Energy: 0.5404817817487697
Energy: 0.5253892142146513
Energy: 0.566926758843815
Energy: 0.5193354979749791
Energy: 0.566926758843815
Energy: 0.5230775585089464
Energy: 0.5652716543418471
Energy: 0.5831955990634519
Energy: 0.5652716543439296
Energy: 0.5142836700792941
Energy: 0.5659975537168632
Energy: 0.5578308161000007
Energy: 0.5659975537224161
Energy: 0.5558911726948139
Energy: 0.5599721748746394
Energy: 0.5691653246829853
Energy: 0.5599721748718628
Energy: 0.5236281964793893
Energy: 0.6007184333208935
Energy: 0.5571341851037164
Energy: 0.6007184333257208
Energy: 0.5741903125444788
Energy: 0.559376694705704
Energy: 0.5550329617133308
Energy: 0.559376694711951
Energy: 0.5740456043611869
Energy: 0.5591858716818391
Energy: 0.5625438576454661
Energy: 0.5591858716860039
Energy: 0.5235887423669018
Energy: 0.5932979852529363
Energy: 0.5513268411719138
Energy: 0.5932979852522421
Energy: 0.5558753818476901
Energy: 0.5598473332274342
Energy: 0.5394249319781479
Energy: 0.5598473332309046
Energy: 0.5143374453640729
Energy: 0.5660803122525887
Energy: 0.5546850878829593
Energy: 0.5660803122532828
Energy: 0.5231116269600444
Energy: 0.5651591626557179
Energy: 0.5830133723619482
Energy: 0.5651591626557179
Energy: 0.5253596036892467
Energy: 0.5668547864061009
Energy: 0.5142277465149023
Energy: 0.5668547864019677
Energy: 0.5552738658974351
Energy: 0.5404650764570202
Energy: 0.5473654507436744
Energy: 0.5404650764563261
Energy: 0.5746147180698428
Energy: 0.5560296670981889
Energy: 0.5352321171140983
Energy: 0.5560296670981889
Energy: 0.5147309513098859
Energy: 0.5573610174992271
Energy: 0.5522065716515775
Energy: 0.557361017498533
Energy: 0.5147333420426508
Energy: 0.541182912930998
Energy: 0.5390911054845418
Energy: 0.5411829129289155
Energy: 0.5533022301004614
Energy: 0.5669836375835521
Energy: 0.5407492749883069
Energy: 0.5669836375814699
Energy: 0.5555175817699445
Energy: 0.5942534359854914
Energy: 0.5691008757601352
Energy: 0.5942534359841032
Energy: 0.5647938323746486
Energy: 0.5654693680233416
Energy: 0.6337178931454102
Energy: 0.5654693680219534
Energy: 0.5556103446108602
Energy: 0.5943018374131713
Energy: 0.5691273491805556
Energy: 0.594301837411089
Energy: 0.5531926909067183
Energy: 0.566894114987957
Energy: 0.5571266124869966
Energy: 0.5668941149865687
Energy: 0.5147598265056094
Energy: 0.5412725199822268
Energy: 0.5435274684199333
Energy: 0.5412725199850033

minimum gb energy = 0.5142277465149023 eV
minimum distance =  2.53480007200885 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.5808003398818369
Energy: 0.6159964104485603
Energy: 0.636817588591505
Energy: 0.615996410450174
Energy: 0.5875928779814915
Energy: 0.6056927667323986
Energy: 0.5637968700724263
Energy: 0.6056927667332055
Energy: 0.5736784721661544
Energy: 0.6507928523907939
Energy: 0.5602715642831
Energy: 0.650792852388373
Energy: 0.5554604575944535
Energy: 0.5802823352183472
Energy: 0.5667811674497936
Energy: 0.5802823352191541
Energy: 0.5689539144254405
Energy: 0.6255445122910964
Energy: 0.5773607847928752
Energy: 0.6255445122910964
Energy: 0.6017452509902872
Energy: 0.626533418644031
Energy: 0.5811888258495109
Energy: 0.6265334186424172
Energy: 0.579974137775902
Energy: 0.5585795468581555
Energy: 0.5684972292553059
Energy: 0.5585795468597694
Energy: 0.6320381715632553
Energy: 0.6276211464832782
Energy: 0.549845569430577
Energy: 0.6276211464824714
Energy: 0.5683214519856005
Energy: 0.5875062780618538
Energy: 0.5798384298031095
Energy: 0.5875062780658882
Energy: 0.5576456216691502
Energy: 0.6257193009590042
Energy: 0.5721701617468966
Energy: 0.6257193009573903
Energy: 0.5707183817848737
Energy: 0.6248608862794268
Energy: 0.5894982160486704
Energy: 0.6248608862802337
Energy: 0.5813536604263687
Energy: 0.5948273712702403
Energy: 0.5884090852840248
Energy: 0.5948273712686266
Energy: 0.5602130479279053
Energy: 0.5995618414517966
Energy: 0.5637369571013039
Energy: 0.5995618414517966
Energy: 0.5881364102108385
Energy: 0.5359546377232792
Energy: 0.5788371917724738
Energy: 0.5359546377224722
Energy: 0.5370723585673349
Energy: 0.6272163839393702
Energy: 0.5483284343228009
Energy: 0.6272163839377565
Energy: 0.5625804566039811
Energy: 0.5599858391782468
Energy: 0.5630660876383845
Energy: 0.5599858391782468
Energy: 0.5375103351779109
Energy: 0.6508152891896316
Energy: 0.5370845480579276
Energy: 0.6508152891928591
Energy: 0.5500935928771252
Energy: 0.5749175619990801
Energy: 0.5587249228984359
Energy: 0.5749175620006939
Energy: 0.5386768446981786
Energy: 0.5944862013735793
Energy: 0.5468094111503152
Energy: 0.5944862013784206
Energy: 0.6051379011815756
Energy: 0.6513969267299091
Energy: 0.5632289613758159
Energy: 0.6513969267315228
Energy: 0.5619559602123854
Energy: 0.5926117174011478
Energy: 0.5578737706263471
Energy: 0.5926117174003409
Energy: 0.5826300756813713
Energy: 0.6139325064858009
Energy: 0.6281512750318868
Energy: 0.6139325064874146
Energy: 0.5868224728905977
Energy: 0.6071342260393788
Energy: 0.5629797708418157
Energy: 0.6071342260393788
Energy: 0.5725007154011698
Energy: 0.6500059435249232
Energy: 0.5577109050367625
Energy: 0.650005943520082
Energy: 0.5897330044693829
Energy: 0.5788741044235063
Energy: 0.5670223969398109
Energy: 0.57887410442512

minimum gb energy = 0.5359546377224722 eV
minimum distance =  2.53319049960933 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.5672228013687028
Energy: 0.5671680237625708
Energy: 0.664746419171853
Energy: 0.5671680237625708
Energy: 0.5805200315050414
Energy: 0.6159524226300734
Energy: 0.5762438601803491
Energy: 0.6159524226291108
Energy: 0.5910323232876421
Energy: 0.572339181869004
Energy: 0.5584497603757158
Energy: 0.5723391818699665
Energy: 0.5838364526501202
Energy: 0.6257157339153459
Energy: 0.5601057455546108
Energy: 0.6257157339182334
Energy: 0.6425641140751519
Energy: 0.6044759353717939
Energy: 0.576655808664028
Energy: 0.6044759353727566
Energy: 0.5414926367136066
Energy: 0.5705580832461127
Energy: 0.6064195247672541
Energy: 0.5705580832480378
Energy: 0.5916322389310443
Energy: 0.5601336275068339
Energy: 0.5600267824342763
Energy: 0.5601336275087591
Energy: 0.61372467448479
Energy: 0.5704269387290122
Energy: 0.555962374742037
Energy: 0.5704269387280496
Energy: 0.5822601997186957
Energy: 0.6157717909384897
Energy: 0.5768988862930745
Energy: 0.615771790937527
Energy: 0.5675503805602794
Energy: 0.5675348297722265
Energy: 0.6057857388416806
Energy: 0.5675348297731889
Energy: 0.5616845794277024
Energy: 0.605000997811835
Energy: 0.5534940904749355
Energy: 0.6050009978099099
Energy: 0.584634777941766
Energy: 0.6171199462694053
Energy: 0.5601959047169196
Energy: 0.6171199462703678
Energy: 0.5412260975820765
Energy: 0.5722619084788153
Energy: 0.6129665284772788
Energy: 0.5722619084797779
Energy: 0.5980081458358776
Energy: 0.5701562263443395
Energy: 0.5770048111741366
Energy: 0.5701562263414518
Energy: 0.5412248855589694
Energy: 0.5707767200661651
Energy: 0.6136130269852555
Energy: 0.5707767200632773
Energy: 0.5844607099145607
Energy: 0.61714949017705
Energy: 0.5602397931363143
Energy: 0.6171494901751249
Energy: 0.5616986856338674
Energy: 0.6049848391312536
Energy: 0.558467121347491
Energy: 0.6049848391322161
Energy: 0.5676614421788643
Energy: 0.5676310270991767
Energy: 0.6057917860705064
Energy: 0.5676310271001392
Energy: 0.5822806038437679
Energy: 0.615822179401549
Energy: 0.576921816238243
Energy: 0.6158221794034742
Energy: 0.613716328375821
Energy: 0.5703997597419564
Energy: 0.5559947167769435
Energy: 0.5703997597448441
Energy: 0.5916212879612641
Energy: 0.5602082684433444
Energy: 0.560057614953306
Energy: 0.5602082684423818

minimum gb energy = 0.5412248855589694 eV
minimum distance =  2.64616116053118 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.5642641944028918
Energy: 0.6577551767866078
Energy: 0.7210403710451031
Energy: 0.6577551767866078
Energy: 0.5494418397740153
Energy: 0.5650719425230993
Energy: 0.541686138199405
Energy: 0.565071942521909
Energy: 0.5411540850628701
Energy: 0.6637922302710689
Energy: 0.5413857406237749
Energy: 0.6637922302722592
Energy: 0.5662703464855844
Energy: 0.6511980852649565
Energy: 0.632233604753129
Energy: 0.6511980852649565
Energy: 0.6304529933525705
Energy: 0.5505311684667591
Energy: 0.5848875757032204
Energy: 0.5505311684679495
Energy: 0.5426260838058328
Energy: 0.62897346379842
Energy: 0.5433931695389799
Energy: 0.6289734637996104
Energy: 0.5646261737036365
Energy: 0.6220235716413841
Energy: 0.5420333941114287
Energy: 0.6220235716413841
Energy: 0.623247510475764
Energy: 0.6583870660163738
Energy: 0.566631856339563
Energy: 0.6583870660163738
Energy: 0.5414629452727338
Energy: 0.5841303943764332
Energy: 0.5510338954317305
Energy: 0.5841303943764332
Energy: 0.6540859827226384
Energy: 0.6351602762745653
Energy: 0.5433612107505806
Energy: 0.6351602762745653
Energy: 0.6265047174128519
Energy: 0.6506337740611
Energy: 0.7125429541050643
Energy: 0.6506337740611
Energy: 0.5424472935602307
Energy: 0.5950704581086709
Energy: 0.6537435152005969
Energy: 0.5950704581074804
Energy: 0.6267814450520277
Energy: 0.6278650467488168
Energy: 0.540979210069559
Energy: 0.6278650467488168
Energy: 0.5418031064475659
Energy: 0.6146975743460122
Energy: 0.564353249569698
Energy: 0.6146975743460122
Energy: 0.6152436350121916
Energy: 0.6145597806954297
Energy: 0.6235992479586718
Energy: 0.6145597806954297
Energy: 0.5527421234419528
Energy: 0.5887022579541645
Energy: 0.5431212647658809
Energy: 0.5887022579577357
Energy: 0.5432160488062593
Energy: 0.5946510480839082
Energy: 0.6530107467866317
Energy: 0.5946510480850986

minimum gb energy = 0.540979210069559 eV
minimum distance =  2.62557697033547 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.6004872139544474
Energy: 0.6011286188053447
Energy: 0.727411845552964
Energy: 0.6011286188046706
Energy: 0.6286997394844409
Energy: 0.6148922708185978
Energy: 0.5567985215163488
Energy: 0.6148922708165752
Energy: 0.6337060941939782
Energy: 0.6042055838917162
Energy: 0.556414624051705
Energy: 0.6042055838896936
Energy: 0.5569771417813782
Energy: 0.6111636378860529
Energy: 0.6026809791222723
Energy: 0.6111636378880755
Energy: 0.6532477870865345
Energy: 0.5933659260569225
Energy: 0.5852443964184209
Energy: 0.5933659260562483
Energy: 0.5651719613421831
Energy: 0.6054384171398788
Energy: 0.6383088728365556
Energy: 0.6054384171378562
Energy: 0.558267676567405
Energy: 0.6148465669513851
Energy: 0.5580565281140388
Energy: 0.6148465669540818
Energy: 0.6341399959454631
Energy: 0.6049173678093496
Energy: 0.5677422173095709
Energy: 0.6049173678106978
Energy: 0.5675629385192015
Energy: 0.6412928481440915
Energy: 0.6541867027933702
Energy: 0.6412928481427431
Energy: 0.7028971012609635
Energy: 0.599955769379997
Energy: 0.5599926721222207
Energy: 0.5999557693779746
Energy: 0.5580080659389023
Energy: 0.6102372177421225
Energy: 0.6356065211657375
Energy: 0.6102372177407741
Energy: 0.5667745918600264
Energy: 0.6137088098555247
Energy: 0.566366016106992
Energy: 0.6137088098555247
Energy: 0.625244997390074
Energy: 0.6009981557936128
Energy: 0.6007442981350096
Energy: 0.6009981557922645
Energy: 0.5597333622233672
Energy: 0.6564679805419084
Energy: 0.627637242608399
Energy: 0.6564679805412342
Energy: 0.6105298440843557
Energy: 0.6152326962006315
Energy: 0.5651997721107598
Energy: 0.6152326962032976
Energy: 0.6392862868068045
Energy: 0.6051762851094099
Energy: 0.6344778136515405
Energy: 0.6051762851094099
Energy: 0.5849385369472039
Energy: 0.629753016039565
Energy: 0.6947806419289494
Energy: 0.6297530160388908
Energy: 0.6150530350898585
Energy: 0.5950494186154531
Energy: 0.5651487554792489
Energy: 0.5950494186134305
Energy: 0.5808795653449764
Energy: 0.6300174909640743
Energy: 0.5865147667198923
Energy: 0.6300174909627262
Energy: 0.5847869706085858
Energy: 0.610695732527855
Energy: 0.5576617662073541
Energy: 0.610695732527855
Energy: 0.5943711905820042
Energy: 0.6041022102524184
Energy: 0.6337876241412789
Energy: 0.6041022102517442
Energy: 0.5566784878113016
Energy: 0.6677415737627558
Energy: 0.700085841456759
Energy: 0.66774157376343
Energy: 0.6504626008982041
Energy: 0.6106895448949831
Energy: 0.5559637891807936
Energy: 0.6106895448949831
Energy: 0.5914787671096424
Energy: 0.6335821187716085
Energy: 0.6228111982733981
Energy: 0.6335821187709344
Energy: 0.6069586937587761
Energy: 0.6040085684893901
Energy: 0.6226389276968418
Energy: 0.604008568488042
Energy: 0.671774826949921
Energy: 0.6107319719588123
Energy: 0.5566774995067336
Energy: 0.6107319719594866
Energy: 0.5853537623777766
Energy: 0.6899272219543848
Energy: 0.7200029334256457
Energy: 0.6899272219523623
Energy: 0.6332149072152605
Energy: 0.6057216879075251
Energy: 0.6342408839639452
Energy: 0.6057216879075251
Energy: 0.6920786256336466
Energy: 0.610422741234776
Energy: 0.5576943153128793
Energy: 0.6104227412354503
Energy: 0.5673854643890861
Energy: 0.629570496675965
Energy: 0.6814884123703652
Energy: 0.6295704966739424

minimum gb energy = 0.5559637891807936 eV
minimum distance =  2.50825954340362 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.5146633821407686
Energy: 0.5147974760154902
Energy: 0.7351238664756818
Energy: 0.5147974760139382
Energy: 0.637719813226298
Energy: 0.5696103842916854
Energy: 0.590599624680372
Energy: 0.5696103842932376
Energy: 0.5161567991001865
Energy: 0.5157260861760837
Energy: 0.6217873653458538
Energy: 0.5157260861776357
Energy: 0.5158489382898517
Energy: 0.5145709678395014
Energy: 0.5308627595022322
Energy: 0.5145709678410535
Energy: 0.6378690858007541
Energy: 0.5696022009066188
Energy: 0.636725431731929
Energy: 0.5696022009081709
Energy: 0.5146633821407686
Energy: 0.5147974760154902
Energy: 0.7351238587141152
Energy: 0.5147974760154902
Energy: 0.6377198132247459
Energy: 0.5696103842916854
Energy: 0.5513730163565803
Energy: 0.5696103842932376
Energy: 0.5161567991001865
Energy: 0.5157260861776357
Energy: 0.6217873653458538
Energy: 0.5157260861791879
Energy: 0.5158489382898517
Energy: 0.5145709678395014
Energy: 0.584705081810665
Energy: 0.5145709678395014
Energy: 0.6378690858023062
Energy: 0.5696022009066188
Energy: 0.636725431731929
Energy: 0.5696022009081709
Energy: 0.5146633821407686
Energy: 0.5147974760154902
Energy: 0.7351238581184013
Energy: 0.5147974760154902
Energy: 0.637719813226298
Energy: 0.5696103842916854
Energy: 0.5846047563659178
Energy: 0.5696103842932376
Energy: 0.5161567991001865
Energy: 0.5157260861776357
Energy: 0.6217873653458538
Energy: 0.5157260861776357

minimum gb energy = 0.5145709678395014 eV
minimum distance =  2.60601679603755 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.578098727227459
Energy: 0.7015074567291956
Energy: 0.7731952367218272
Energy: 0.7015074567291956
Energy: 0.6990710448250671
Energy: 0.6094310922698772
Energy: 0.5841751297306439
Energy: 0.6094310922721751
Energy: 0.5806768347561646
Energy: 0.571256287423032
Energy: 0.5756527713449858
Energy: 0.571256287424181
Energy: 0.6533447463766158
Energy: 0.6967059607897366
Energy: 0.5835390949984832
Energy: 0.6967059607885877
Energy: 0.652266991055595
Energy: 0.6036857287967787
Energy: 0.5857264348023115
Energy: 0.6036857287979276
Energy: 0.5702063366294888
Energy: 0.5708163120294593
Energy: 0.6619827519052554
Energy: 0.5708163120283103
Energy: 0.7604898966589542
Energy: 0.60118637402123
Energy: 0.5844741083609467
Energy: 0.6011863740246768
Energy: 0.584314654399324
Energy: 0.7047303456438123
Energy: 0.6643638769258462
Energy: 0.7047303456443867
Energy: 0.5819707978836667
Energy: 0.6296862257847349
Energy: 0.5762553160599246
Energy: 0.6296862257858837
Energy: 0.5821340769751626
Energy: 0.6071101317228017
Energy: 0.5842135973858239
Energy: 0.607110131724525
Energy: 0.5844289508712779
Energy: 0.6200563094091597
Energy: 0.7605243544449182
Energy: 0.620056309410883
Energy: 0.6716566644086539
Energy: 0.6665715723879114
Energy: 0.589474617053967
Energy: 0.6665715723850391
Energy: 0.5818054324448112
Energy: 0.6469493934522499
Energy: 0.7144391262527223
Energy: 0.6469493934522499
Energy: 0.6581510780137414
Energy: 0.6851234781060211
Energy: 0.5810281364437853
Energy: 0.6851234781054467
Energy: 0.5849812045852151
Energy: 0.6575219898091698
Energy: 0.6610763268147001
Energy: 0.6575219898103186
Energy: 0.583836752881703
Energy: 0.6861305477206818
Energy: 0.6593182584837681
Energy: 0.6861305477201073
Energy: 0.6281176818736198
Energy: 0.6564855795458598
Energy: 0.5852803180647689
Energy: 0.6564855795452854
Energy: 0.5866268708482121
Energy: 0.600833351931348
Energy: 0.6674724987677737
Energy: 0.6008333519319224
Energy: 0.6556087915570658
Energy: 0.6465349658812319
Energy: 0.5710263014906417
Energy: 0.6465349658818064
Energy: 0.5821101986191253
Energy: 0.6150287917444254
Energy: 0.6385799324285165
Energy: 0.6150287917455743
Energy: 0.6584690247302181
Energy: 0.6805373141066069
Energy: 0.6549274337056428
Energy: 0.6805373141083303
Energy: 0.6359165352484912
Energy: 0.5821559617137168
Energy: 0.5819881501949559
Energy: 0.58215596171544
Energy: 0.576160760088473
Energy: 0.6462189385080236
Energy: 0.5819259882499325
Energy: 0.6462189385051513
Energy: 0.7611375803019926
Energy: 0.6520165359726547
Energy: 0.5837851644057144
Energy: 0.6520165359732293
Energy: 0.5843599112450765
Energy: 0.6804142438156144
Energy: 0.725943276482873
Energy: 0.6804142438161889
Energy: 0.6231310894070317
Energy: 0.5710028298447895
Energy: 0.5806740019445457
Energy: 0.5710028298436406
Energy: 0.6604714753160148
Energy: 0.6172063430199116
Energy: 0.6554982675285842
Energy: 0.6172063430193372
Energy: 0.5855221896358783
Energy: 0.6978109737641609
Energy: 0.6554181264560595
Energy: 0.6978109737630119
Energy: 0.6120160064430837
Energy: 0.5711333121174085
Energy: 0.580450298039785
Energy: 0.5711333121162595
Energy: 0.583925697514902
Energy: 0.6820773539898376
Energy: 0.7257389755873439
Energy: 0.6820773539898376
Energy: 0.7210846977338708
Energy: 0.6518432882357452
Energy: 0.5832959119642086
Energy: 0.6518432882380429
Energy: 0.5774333076482946
Energy: 0.602463250933424
Energy: 0.5811166655730422
Energy: 0.6024632509317007
Energy: 0.5898955130082456
Energy: 0.6484236035734217
Energy: 0.5812454545271681
Energy: 0.6484236035739961
Energy: 0.6605701799445591
Energy: 0.7037465614219379
Energy: 0.6536355236165416
Energy: 0.7037465614225124
Energy: 0.5881334915477003
Energy: 0.6790741009883094
Energy: 0.7610481275653226
Energy: 0.6790741009871606

minimum gb energy = 0.5702063366294888 eV
minimum distance =  2.55160141157791 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.5680765974930578
Energy: 0.5687730297450769
Energy: 0.7550950843146611
Energy: 0.5687730297450769
Energy: 0.6107936682154289
Energy: 0.6253387252671354
Energy: 0.5884073496357084
Energy: 0.6253387252680468
Energy: 0.5958983376095702
Energy: 0.6241826540080224
Energy: 0.5760123285726738
Energy: 0.6241826540061997
Energy: 0.5866392906477423
Energy: 0.6243235321234281
Energy: 0.5883633810328494
Energy: 0.6243235321234281
Energy: 0.5862144933496088
Energy: 0.613469486675097
Energy: 0.5922313248308402
Energy: 0.613469486675097
Energy: 0.5928032054664832
Energy: 0.5841043463843386
Energy: 0.7559714762283187
Energy: 0.5841043463834272
Energy: 0.749063738963493
Energy: 0.7130989164051379
Energy: 0.5893407573596069
Energy: 0.7130989164042264
Energy: 0.5863311769891696
Energy: 0.5683072408912619
Energy: 0.7348856955375824
Energy: 0.5683072408903506
Energy: 0.7299157269825224
Energy: 0.5684428895718657
Energy: 0.5708465323835616
Energy: 0.568442889570043
Energy: 0.5892606735436663
Energy: 0.6226607999406522
Energy: 0.5877195663189051
Energy: 0.6226607999397408
Energy: 0.5890179531992825
Energy: 0.624363988434337
Energy: 0.7302280280458202
Energy: 0.624363988434337
Energy: 0.6568666780753999
Energy: 0.6349761658650781
Energy: 0.5908244300908704
Energy: 0.6349761658650781
Energy: 0.5962531278640112
Energy: 0.6126859727180937
Energy: 0.6289571389983877
Energy: 0.6126859727180937
Energy: 0.7730688612823551
Energy: 0.613941278195604
Energy: 0.5928891494076195
Energy: 0.613941278195604
Energy: 0.5735822043288455
Energy: 0.6109345033942983
Energy: 0.656742844320378
Energy: 0.610934503393387
Energy: 0.7353054716519276
Energy: 0.568422284143723
Energy: 0.5863661611239397
Energy: 0.568422284143723
Energy: 0.5687374749034834
Energy: 0.5696964129036594
Energy: 0.5951420043202522
Energy: 0.5696964129036594
Energy: 0.5681588911129468
Energy: 0.5687411056299567
Energy: 0.5930426182610892
Energy: 0.5687411056299567
Energy: 0.5852650687621181
Energy: 0.5685091415215173
Energy: 0.5857194122273942
Energy: 0.5685091415224287
Energy: 0.5885745483494003
Energy: 0.608735083688905
Energy: 0.7491033615576047
Energy: 0.608735083688905
Energy: 0.7705861626428838
Energy: 0.5827815996647749
Energy: 0.5921313283909319
Energy: 0.5827815996647749
Energy: 0.5884470006759283
Energy: 0.6152411481872719
Energy: 0.6302651041069377
Energy: 0.6152411481881833

minimum gb energy = 0.5680765974930578 eV
minimum distance =  2.5590332490167 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.5882639236625167
Energy: 0.5891485728345282
Energy: 0.756611076638339
Energy: 0.5891485728345282
Energy: 0.7264448887851147
Energy: 0.6322379841147783
Energy: 0.5937340978620566
Energy: 0.6322379841192896
Energy: 0.582354548989815
Energy: 0.5892003638927021
Energy: 0.5944715509401606
Energy: 0.5892003638959245
Energy: 0.6229425759395304
Energy: 0.6279813662160769
Energy: 0.5941581200168736
Energy: 0.627981366213499
Energy: 0.58912931346293
Energy: 0.6208937248434984
Energy: 0.604106020801584
Energy: 0.6208937248357648
Energy: 0.584020895858084
Energy: 0.6299952492166676
Energy: 0.7209411986036508
Energy: 0.6299952492128009
Energy: 0.6699280987841538
Energy: 0.7028501371943282
Energy: 0.6090069400545115
Energy: 0.7028501371904614
Energy: 0.5838853909648577
Energy: 0.589641251987819
Energy: 0.7574867507257099
Energy: 0.5896412519865301
Energy: 0.6662528283131124
Energy: 0.6211899924162813
Energy: 0.5889626596651232
Energy: 0.6211899924207925
Energy: 0.5897681332444867
Energy: 0.6361738793312797
Energy: 0.6474129491277821
Energy: 0.6361738793364352
Energy: 0.611842123067943
Energy: 0.6411067315051449
Energy: 0.6167533481967963
Energy: 0.6411067315019517
Energy: 0.5888423791919033
Energy: 0.620711598647495
Energy: 0.6169251115485918
Energy: 0.620711598648784
Energy: 0.5946700242519436
Energy: 0.5903519179253472
Energy: 0.6194118665695081
Energy: 0.5903519179279251
Energy: 0.6019710452534119
Energy: 0.5869005255558446
Energy: 0.6159059492387764
Energy: 0.5869005255545559
Energy: 0.5883332153976184
Energy: 0.6861138672247197
Energy: 0.6692788529401594
Energy: 0.6861138672285864
Energy: 0.7835035354727249
Energy: 0.5861226214364834
Energy: 0.5869246390275831
Energy: 0.5861226214313278
Energy: 0.589747494473711
Energy: 0.6230955185973991
Energy: 0.6668989171300364
Energy: 0.6230955186012659
Energy: 0.58556671333763
Energy: 0.6245572588432325
Energy: 0.6152817578483019
Energy: 0.6245572588419436
Energy: 0.5899150510333959
Energy: 0.6300300719451222
Energy: 0.6165942522334165
Energy: 0.630030071939322
Energy: 0.5887525027481585
Energy: 0.6198257329292552
Energy: 0.6154919243227176
Energy: 0.6198257329382777
Energy: 0.6205216342453309
Energy: 0.6023255139735204
Energy: 0.5888907353208275
Energy: 0.6023255139664312
Energy: 0.5877170191415845
Energy: 0.5893528478933321
Energy: 0.663204750248437
Energy: 0.5893528478971991
Energy: 0.7237430802339799
Energy: 0.6215655541131537
Energy: 0.6010075405804081
Energy: 0.6215655541125092
Energy: 0.5900149101207942
Energy: 0.5896598942785679
Energy: 0.7208600103591039
Energy: 0.5896598942734121
Energy: 0.608884322377611
Energy: 0.6201571336000951
Energy: 0.591784730105613
Energy: 0.6201571335988061
Energy: 0.6197752853597606
Energy: 0.6303247817623611
Energy: 0.6077505979384211
Energy: 0.6303247817668725
Energy: 0.5899549095541584
Energy: 0.6310671860299287
Energy: 0.5905968742863612
Energy: 0.6310671860389513
Energy: 0.6218443128597397
Energy: 0.6225088963337894
Energy: 0.5941399874597558
Energy: 0.6225088963318558
Energy: 0.5821764154182758
Energy: 0.5899560240822364
Energy: 0.6731740725090022
Energy: 0.5899560240848142
Energy: 0.6679257563794687
Energy: 0.6045095127149068
Energy: 0.5942216330340931
Energy: 0.6045095127020176
Energy: 0.5821819532816911
Energy: 0.5902564970548838
Energy: 0.7115488647786076
Energy: 0.5902564970503726

minimum gb energy = 0.5821764154182758 eV
minimum distance =  2.54410870292205 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.5593029711690728
Energy: 0.5634328774442531
Energy: 0.5632318790649113
Energy: 0.563432877445151
Energy: 0.5793512645602057
Energy: 0.5607563565754596
Energy: 0.5631950858415782
Energy: 0.5607563565758837
Energy: 0.5844669444514042
Energy: 0.5616918858172383
Energy: 0.6063275414075586
Energy: 0.5616854431025822
Energy: 0.5624455192913097
Energy: 0.5383417622273144
Energy: 0.5628580639358877
Energy: 0.5383417622268655
Energy: 0.5598392875442484
Energy: 0.5755072036751845
Energy: 0.6069642058676867
Energy: 0.5755072036703455
Energy: 0.5859431286977435
Energy: 0.5849821143235506
Energy: 0.5859636555942747
Energy: 0.5849821143241991
Energy: 0.5391280635078868
Energy: 0.5755992681201015
Energy: 0.5598965961492353
Energy: 0.5755992681225209
Energy: 0.5628874896903727
Energy: 0.5391578995648482
Energy: 0.5623588822152819
Energy: 0.5391578995503564
Energy: 0.6062984716593656
Energy: 0.562350119629033
Energy: 0.5845416915318778
Energy: 0.5623505994598914

minimum gb energy = 0.5383417622268655 eV
minimum distance =  2.59536532144001 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.5522338673617415
Energy: 0.5691254553015044
Energy: 0.6728875403188475
Energy: 0.569125455299678
Energy: 0.5877878432313205
Energy: 0.5831651966916185
Energy: 0.5560626023972626
Energy: 0.5831651966995325
Energy: 0.5429291911489367
Energy: 0.5679318074852906
Energy: 0.6501646011666605
Energy: 0.5679318074834643
Energy: 0.5424222823482618
Energy: 0.5889805873546774
Energy: 0.5463054298697918
Energy: 0.5889805873571125
Energy: 0.5444517496434902
Energy: 0.5911473893966416
Energy: 0.6363362875014819
Energy: 0.5911473893948151
Energy: 0.5902970438297751
Energy: 0.6131018395479523
Energy: 0.5432197965678345
Energy: 0.6131018395479523
Energy: 0.5429770343670278
Energy: 0.5898489256878637
Energy: 0.5374204643166341
Energy: 0.5898489256842111
Energy: 0.5403345756819623
Energy: 0.6132548322571876
Energy: 0.5464777419952953
Energy: 0.6132548322571876
Energy: 0.5452102175611254
Energy: 0.5900778655716389
Energy: 0.5638318002808215
Energy: 0.5900778655710301
Energy: 0.547842399445596
Energy: 0.5901295041995247
Energy: 0.5426403504999061
Energy: 0.5901295042007423
Energy: 0.5659397682343841
Energy: 0.6278955400322835
Energy: 0.5436774377797094
Energy: 0.6278955400286309
Energy: 0.5514312868833888
Energy: 0.6027735239415994
Energy: 0.569109539335541
Energy: 0.6027735239415994
Energy: 0.6226759677392201
Energy: 0.5694060032943085
Energy: 0.5688106375483661
Energy: 0.5694060032949173
Energy: 0.5512061291898407
Energy: 0.5700233743801065
Energy: 0.5619061904463147
Energy: 0.5700233743782801
Energy: 0.66348905512657
Energy: 0.5904865247583136
Energy: 0.5435290741488664
Energy: 0.590486524754661
Energy: 0.5421440935962959
Energy: 0.5675673015150404
Energy: 0.5950252648950962
Energy: 0.567567301515649
Energy: 0.6404358903613557
Energy: 0.5562769036835513
Energy: 0.548633758095122
Energy: 0.5562769036835513
Energy: 0.5457781618508455
Energy: 0.569865268945781
Energy: 0.6411413292004147
Energy: 0.5698652689433461
Energy: 0.5441585169765124
Energy: 0.5911757624885272
Energy: 0.54356601898846
Energy: 0.5911757624873096
Energy: 0.5426859488136669
Energy: 0.6479601040602861
Energy: 0.5540283030119705
Energy: 0.6479601040602861
Energy: 0.5499987784227884
Energy: 0.5881784575334313
Energy: 0.5460906301259596
Energy: 0.5881784575334313
Energy: 0.5565104577642003
Energy: 0.5900093981520879
Energy: 0.5493346473112468
Energy: 0.5900093981508704
Energy: 0.5453634804716768
Energy: 0.5709965350898458
Energy: 0.5508527831079756
Energy: 0.5709965350886284
Energy: 0.5688375886542744
Energy: 0.5673580249995485
Energy: 0.5539149949529512
Energy: 0.5673580249995485
Energy: 0.5743993598702121
Energy: 0.5603381897392619
Energy: 0.5482220938170849
Energy: 0.5603381897404794
Energy: 0.5592620930005642
Energy: 0.5700111209408469
Energy: 0.5451289292957446
Energy: 0.5700111209408469
Energy: 0.5432811607483038
Energy: 0.5859762005897629
Energy: 0.553293640886115
Energy: 0.5859762005891541
Energy: 0.6024661223029538
Energy: 0.5905406262924139
Energy: 0.5421718716330648
Energy: 0.5905406262918051
Energy: 0.5479057017928033
Energy: 0.5938084034848864
Energy: 0.6383073409696969
Energy: 0.5938084034879304
Energy: 0.6062904874042494
Energy: 0.5696333002217884
Energy: 0.5476626733185413
Energy: 0.5696333002199622
Energy: 0.5415771387077397
Energy: 0.5543169043249891
Energy: 0.6069293617848864
Energy: 0.5543169043249891
Energy: 0.6383810146901542
Energy: 0.5984075594138655
Energy: 0.5439979906435718
Energy: 0.5984075594114305
Energy: 0.5439941129899158
Energy: 0.5900531398853864
Energy: 0.5561645987752559
Energy: 0.5900531398829513

minimum gb energy = 0.5374204643166341 eV
minimum distance =  2.54864351013206 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.5426566508449409
Energy: 0.5430287797570317
Energy: 0.6707391576269363
Energy: 0.5430287797553482
Energy: 0.5381761193395015
Energy: 0.5474476686779869
Energy: 0.5239559634008332
Energy: 0.5474476686771451
Energy: 0.5151075050796028
Energy: 0.5438358537118841
Energy: 0.6330443760456618
Energy: 0.5438358537102008
Energy: 0.5452681562985295
Energy: 0.575103504344512
Energy: 0.5168553413251281
Energy: 0.575103504344512
Energy: 0.5143717789979596
Energy: 0.5915708731480508
Energy: 0.6414083981361244
Energy: 0.5915708731455257
Energy: 0.5149064828918216
Energy: 0.5729048156850677
Energy: 0.5166491882613469
Energy: 0.5729048156875929
Energy: 0.5134127524741405
Energy: 0.5924805733400543
Energy: 0.5390567607785863
Energy: 0.5924805733383708
Energy: 0.5137012304632331
Energy: 0.6091189910420455
Energy: 0.5597956306017092
Energy: 0.6091189910479375
Energy: 0.5428782175091914
Energy: 0.5360842725599604
Energy: 0.5592882499710292
Energy: 0.5360842725574351
Energy: 0.5428518689951554
Energy: 0.5360997261643754
Energy: 0.5508910305323852
Energy: 0.5360997261626919
Energy: 0.5139732050000716
Energy: 0.6090082620842636
Energy: 0.5600514641384524
Energy: 0.6090082620859472
Energy: 0.5136876176302702
Energy: 0.5925047820115635
Energy: 0.5259831996852377
Energy: 0.59250478200988
Energy: 0.5152118542857562
Energy: 0.5731578481556683
Energy: 0.5164814074513435
Energy: 0.5731578481556683
Energy: 0.5143384253605243
Energy: 0.5914760774653615
Energy: 0.5429656997425469
Energy: 0.5914760774662031
Energy: 0.5452113177250839
Energy: 0.5750928332137896
Energy: 0.5165228541725193
Energy: 0.5750928332171565
Energy: 0.515105299025713
Energy: 0.543968626657627
Energy: 0.597670482931071
Energy: 0.5439686266542602
Energy: 0.53637606984101
Energy: 0.5472342089411809
Energy: 0.5238841320472766
Energy: 0.5472342089428643
Energy: 0.5426566508440992
Energy: 0.5430287797570317
Energy: 0.6679566385462907
Energy: 0.5430287797553482
Energy: 0.5381761193369762
Energy: 0.5474476686796703
Energy: 0.5239559634008332
Energy: 0.5474476686779869
Energy: 0.5151075050796028
Energy: 0.5438358537118841
Energy: 0.7140802488520981
Energy: 0.5438358537093589
Energy: 0.5452681562993713
Energy: 0.575103504344512
Energy: 0.5168553413251281
Energy: 0.575103504344512
Energy: 0.5143717789988014
Energy: 0.5915708731480508
Energy: 0.6277287039880767
Energy: 0.5915708731446839
Energy: 0.5149064828901383
Energy: 0.5729048156833842
Energy: 0.5166491882613469
Energy: 0.5729048156875929
Energy: 0.513412752472457
Energy: 0.5924805733400543
Energy: 0.5257889391180038
Energy: 0.592480573337529

minimum gb energy = 0.513412752472457 eV
minimum distance =  2.5646860963631 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.5446291409414116
Energy: 0.5452740104448828
Energy: 0.6909372431340493
Energy: 0.545274010445403
Energy: 0.6101115496946149
Energy: 0.5372883985385316
Energy: 0.5284427627415457
Energy: 0.5372883985400924
Energy: 0.5247053365454806
Energy: 0.5399561175538297
Energy: 0.6375798674246046
Energy: 0.53995611755435
Energy: 0.595909588655587
Energy: 0.6168035988075818
Energy: 0.5236512136950808
Energy: 0.6168035988075818
Energy: 0.5275391806190384
Energy: 0.5412234342780067
Energy: 0.5528125950840375
Energy: 0.5412234342769662
Energy: 0.5345423546778498
Energy: 0.7142284998593608
Energy: 0.5294951505700379
Energy: 0.7142284998604013
Energy: 0.5392239395638313
Energy: 0.5696907476028591
Energy: 0.540101317528735
Energy: 0.5696907476018187
Energy: 0.5375680701096959
Energy: 0.631701859209415
Energy: 0.5257412351366825
Energy: 0.6317018592088948
Energy: 0.5490881274352285
Energy: 0.6267438836208066
Energy: 0.5656927202046165
Energy: 0.6267438836223673
Energy: 0.550051444009644
Energy: 0.627661527631865
Energy: 0.5248846571799133
Energy: 0.6276615276344663
Energy: 0.5282624511064907
Energy: 0.6160903907122324
Energy: 0.5288922346805941
Energy: 0.6160903907137931
Energy: 0.5297516741482304
Energy: 0.5628687188077564
Energy: 0.5189176014929775
Energy: 0.5628687188093171
Energy: 0.5390128702314722
Energy: 0.6231596846610425
Energy: 0.5277085742081961
Energy: 0.6231596846626033
Energy: 0.5308817320070717
Energy: 0.5768052444287644
Energy: 0.545372920265633
Energy: 0.576805244428244
Energy: 0.526097241480353
Energy: 0.6183687225204278
Energy: 0.5508803851111888
Energy: 0.6183687225199076
Energy: 0.5288006956013255
Energy: 0.5407314406685777
Energy: 0.643994542046776
Energy: 0.5407314406701385
Energy: 0.5300875504596819
Energy: 0.6182872518527209
Energy: 0.5277239344631752
Energy: 0.6182872518527209
Energy: 0.5208359827625864
Energy: 0.5453447814443295
Energy: 0.5385706620683781
Energy: 0.5453447814375662
Energy: 0.6025244144135825
Energy: 0.6189305692112936
Energy: 0.5281747115539275
Energy: 0.6189305692097328
Energy: 0.5266616489287836
Energy: 0.5398486364645992
Energy: 0.6018534069010977
Energy: 0.5398486364635589
Energy: 0.5404870788390598
Energy: 0.5326578727708319
Energy: 0.5340431478389042
Energy: 0.5326578727708319
Energy: 0.5342281978106977
Energy: 0.5460231228233401
Energy: 0.6220351736031318
Energy: 0.5460231228165767
Energy: 0.5887545303916545
Energy: 0.6223314909310441
Energy: 0.5277239505071197
Energy: 0.6223314909284428
Energy: 0.5280639832451489
Energy: 0.5327616647730132
Energy: 0.6108061288722263
Energy: 0.5327616647735336
Energy: 0.5556887639014482
Energy: 0.5881685439238783
Energy: 0.5218032868800435
Energy: 0.588168543921277
Energy: 0.529030145664382
Energy: 0.5781525262581659
Energy: 0.5300918232459112
Energy: 0.5781525262592065
Energy: 0.6028339142938103
Energy: 0.6209767485795472
Energy: 0.5293879718269922
Energy: 0.6209767485816282
Energy: 0.5537011294057137
Energy: 0.6186517979274133
Energy: 0.5302346521649339
Energy: 0.6186517979289742
Energy: 0.5454959242960865
Energy: 0.5763610381968332
Energy: 0.5333583359964732
Energy: 0.5763610381947519
Energy: 0.5290178698032787
Energy: 0.6239872595594322
Energy: 0.5509944327926192
Energy: 0.6239872595594322
Energy: 0.5292744559961975
Energy: 0.5762014863036903
Energy: 0.5271215569301239
Energy: 0.5762014863026497
Energy: 0.5317474380442349
Energy: 0.6182730007301032
Energy: 0.5273040755496589
Energy: 0.6182730007295827
Energy: 0.52938039713122
Energy: 0.6256122338866138
Energy: 0.6153069531210476
Energy: 0.625612233887134
Energy: 0.5662330615415777
Energy: 0.6263399833802543
Energy: 0.5345250174882122
Energy: 0.6263399833812949
Energy: 0.525129014194933
Energy: 0.5462268976762574
Energy: 0.5633364602493265
Energy: 0.5462268976746967
Energy: 0.5401075209709886
Energy: 0.5705582921855841
Energy: 0.537131090703326
Energy: 0.5705582921850639
Energy: 0.5275978743444255
Energy: 0.7045799138681582
Energy: 0.5295730626661403
Energy: 0.7045799138681582
Energy: 0.5504365018884106
Energy: 0.5793340705104547
Energy: 0.5287773974135087
Energy: 0.5793340705094142

minimum gb energy = 0.5189176014929775 eV
minimum distance =  2.55523837695584 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.5791382626164755
Energy: 0.49684398433113136
Energy: 0.5309883953324884
Energy: 0.49684398432977
Energy: 0.5808230934292736
Energy: 0.49680424545497276
Energy: 0.49878646507640034
Energy: 0.496804245456334
Energy: 0.5010500813835098
Energy: 0.6781919431402761
Energy: 0.6825066568743866
Energy: 0.6781919431416374
Energy: 0.5268656947883971
Energy: 0.5151608565024515
Energy: 0.5022207420693516
Energy: 0.5151608565024515
Energy: 0.48632011090337507
Energy: 0.5266318713930226
Energy: 0.5415378255967015
Energy: 0.5266318713930226
Energy: 0.486119274582155
Energy: 0.47772286969409616
Energy: 0.48083456883089093
Energy: 0.4777228696913736
Energy: 0.5001025302296308
Energy: 0.5625242769633924
Energy: 0.4774598672268463
Energy: 0.5625242769620311
Energy: 0.5033377810307665
Energy: 0.5155175748805908
Energy: 0.5017535862428927
Energy: 0.5155175748778682
Energy: 0.5007349166843508
Energy: 0.5266367960274921
Energy: 0.5266065559733432
Energy: 0.526636796026131
Energy: 0.5158748937049862
Energy: 0.4779060925791672
Energy: 0.486236633429352
Energy: 0.47790609258325106
Energy: 0.5822837065535159
Energy: 0.49146204515313185
Energy: 0.4861570364496645
Energy: 0.4914620451504093
Energy: 0.5815931673072594
Energy: 0.5603270938153807
Energy: 0.49954033630703004
Energy: 0.5603270938126582
Energy: 0.5006537323696797
Energy: 0.4788095082523841
Energy: 0.48343899018697845
Energy: 0.4788095082510229
Energy: 0.5006192163248393
Energy: 0.5250676885937668
Energy: 0.5005531328161803
Energy: 0.5250676885924055
Energy: 0.5077619696864175
Energy: 0.47775350845027187
Energy: 0.501626392836794
Energy: 0.47775350844891057

minimum gb energy = 0.4774598672268463 eV
minimum distance =  2.58403209126752 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.4909775753552263
Energy: 0.47398915731644725
Energy: 0.64037565659109
Energy: 0.4739891573135945
Energy: 0.5577161345681654
Energy: 0.5557867136327278
Energy: 0.47537985949191963
Energy: 0.5557867136481327
Energy: 0.4745982496748269
Energy: 0.5532103557111626
Energy: 0.5835257268491638
Energy: 0.5532103557162976
Energy: 0.475051464224721
Energy: 0.5556376387987138
Energy: 0.4720709434787811
Energy: 0.5556376387970022
Energy: 0.4815890525518294
Energy: 0.5107494560611306
Energy: 0.5175153788340795
Energy: 0.510749456053143
Energy: 0.490759477085805
Energy: 0.48526805630916603
Energy: 0.4819427117966213
Energy: 0.4852680563068838
Energy: 0.48169479063046017
Energy: 0.4833147198564032
Energy: 0.6093008952360032
Energy: 0.4833147198598265
Energy: 0.47297115198475764
Energy: 0.6335861317297931
Energy: 0.48192475184387706
Energy: 0.6335861317303636
Energy: 0.4793819258861831
Energy: 0.5087626023813243
Energy: 0.587211774601361
Energy: 0.508762602381895
Energy: 0.5665037980072036
Energy: 0.5889271980096665
Energy: 0.4721094433479147
Energy: 0.5889271980090961
Energy: 0.48108815253629483
Energy: 0.5189437999269247
Energy: 0.4742258659538415
Energy: 0.518943799925213
Energy: 0.6122562840864076
Energy: 0.5887900995571573
Energy: 0.4764696147070473
Energy: 0.5887900995662343
Energy: 0.4986373375047105
Energy: 0.48220733618745815
Energy: 0.4850061926049156
Energy: 0.48220733618066336
Energy: 0.6276856387742928
Energy: 0.5184934656169932
Energy: 0.47680054144893075
Energy: 0.5184934656107171
Energy: 0.47932747735815945
Energy: 0.47394564398641026
Energy: 0.48419831105850447
Energy: 0.4739456439869808
Energy: 0.4762337323696326
Energy: 0.5187751761935477
Energy: 0.4711795484986325
Energy: 0.5187751761924065
Energy: 0.48415524421888373
Energy: 0.506465253141173
Energy: 0.4709858831851314
Energy: 0.506465253142314
Energy: 0.4922403320563569
Energy: 0.5069058739843132
Energy: 0.4805603504188258
Energy: 0.5069058739848836
Energy: 0.4847805737339633
Energy: 0.4832159509561533
Energy: 0.48061117613740445
Energy: 0.4832159509539229
Energy: 0.48476330108766247
Energy: 0.4833220196361783
Energy: 0.48090685031403263
Energy: 0.48332201963332555
Energy: 0.49212627518889324
Energy: 0.5070215981570276
Energy: 0.4805700939431044
Energy: 0.5070215981507515
Energy: 0.48452962145626016
Energy: 0.5066666261747924
Energy: 0.47097150626335715
Energy: 0.5066666261759335
Energy: 0.47620391093610326
Energy: 0.5190689490587658
Energy: 0.47103933157365174
Energy: 0.51906894906333
Energy: 0.47932459436154135
Energy: 0.47387738521434175
Energy: 0.48287281075443433
Energy: 0.4738773852160534
Energy: 0.6276976018175522
Energy: 0.5185909714629806
Energy: 0.4765501774838289
Energy: 0.5185909714606984
Energy: 0.4985175391196169
Energy: 0.48250635298962025
Energy: 0.4827527731284044
Energy: 0.48250635299361416
Energy: 0.6122531135581344
Energy: 0.5884642383514296
Energy: 0.4769974373758553
Energy: 0.5884642383554235
Energy: 0.4799715529643871
Energy: 0.5191481423371026
Energy: 0.47774106386083076
Energy: 0.5191481423359614
Energy: 0.5660644886959271
Energy: 0.5890480455316389
Energy: 0.4720811258599362
Energy: 0.58904804553278
Energy: 0.48110861158750706
Energy: 0.5086452065092151
Energy: 0.587319962950435
Energy: 0.5086452065035095
Energy: 0.4732079414434484
Energy: 0.6336982614888386
Energy: 0.4819455719857761
Energy: 0.6336982614808507
Energy: 0.48142553287957685
Energy: 0.4830177127694773
Energy: 0.6572117254972729
Energy: 0.48301771276719513
Energy: 0.4906601908845156
Energy: 0.4852719455007279
Energy: 0.4818631475203501
Energy: 0.4852719455052923
Energy: 0.4816104807643917
Energy: 0.5106873100550474
Energy: 0.6162771039332567
Energy: 0.5106873100339371
Energy: 0.47491029051618633
Energy: 0.555696055897859
Energy: 0.47211114288710704
Energy: 0.5556960559052763

minimum gb energy = 0.47097150626335715 eV
minimum distance =  2.50821963849294 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.5156027791757171
Energy: 0.5161683438567374
Energy: 0.4561975212293157
Energy: 0.5161683438577189
Energy: 0.5560261659239737
Energy: 0.49887729565058453
Energy: 0.4442589955642994
Energy: 0.49887729565058453
Energy: 0.4493168191347867
Energy: 0.5103610182173868
Energy: 0.6030468178129145
Energy: 0.5103610182183684
Energy: 0.496326756491516
Energy: 0.5062798106308235
Energy: 0.44497554086853963
Energy: 0.5062798106308235
Energy: 0.44306367319685697
Energy: 0.4498637414318445
Energy: 0.4949105092715177
Energy: 0.44986374142791796
Energy: 0.45474251363248425
Energy: 0.5519020837547821
Energy: 0.4976432183469683
Energy: 0.5519020837557638
Energy: 0.44930621750618377
Energy: 0.7215150102910755
Energy: 0.6186502805843291
Energy: 0.721515010292057
Energy: 0.4377909449609057
Energy: 0.45008965713311544
Energy: 0.45169324086191187
Energy: 0.45008965713117444
Energy: 0.44466483306228977
Energy: 0.49880869432529396
Energy: 0.5537913045743537
Energy: 0.49880869432627556
Energy: 0.6124317584723213
Energy: 0.47060087119154603
Energy: 0.49762013526018223
Energy: 0.4706008711935092
Energy: 0.4524602728974805
Energy: 0.4921086779114058
Energy: 0.4965187868692377
Energy: 0.4921086778917735
Energy: 0.5803664746850519
Energy: 0.44995689437063763
Energy: 0.4451870882578383
Energy: 0.4499568943726009
Energy: 0.4960886886526235
Energy: 0.579164035971076
Energy: 0.4544590846697416
Energy: 0.579164035971076
Energy: 0.6185254794877355
Energy: 0.47211620415110034
Energy: 0.4376444167597499
Energy: 0.47211620415993494
Energy: 0.515672653813775
Energy: 0.5267257012706915
Energy: 0.43761896643491643
Energy: 0.5267257012716731
Energy: 0.5156549147798433
Energy: 0.4501294755315219
Energy: 0.44417031074713587
Energy: 0.4501294755305403
Energy: 0.4959350307226106
Energy: 0.4997001496904148
Energy: 0.4381224296728787
Energy: 0.499700149692378
Energy: 0.4963990405535457
Energy: 0.6162968830325537
Energy: 0.4428439967579626
Energy: 0.6162968830335354
Energy: 0.44305487554948103
Energy: 0.4502257553784232
Energy: 0.44301117697316306
Energy: 0.45022575538038645
Energy: 0.4433945543669873
Energy: 0.4510453753336947
Energy: 0.49602701363270635
Energy: 0.4510453753356579

minimum gb energy = 0.43761896643491643 eV
minimum distance =  2.60335443630714 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.429568456047422
Energy: 0.40942049311045864
Energy: 0.5725491540300061
Energy: 0.4094204931119917
Energy: 0.5858581616090517
Energy: 0.4171982271950086
Energy: 0.41031257816817573
Energy: 0.4171982271927091
Energy: 0.40616145304542395
Energy: 0.4063849765331412
Energy: 0.4037236426587302
Energy: 0.40638497653237465
Energy: 0.49355820365305203
Energy: 0.5000754042538196
Energy: 0.41105244523406725
Energy: 0.5000754042522867
Energy: 0.4101756183626146
Energy: 0.500088013527856
Energy: 0.39960008103170025
Energy: 0.5000880135286225
Energy: 0.3995882996616951
Energy: 0.49992174242141174
Energy: 0.41089644068247694
Energy: 0.4999217424191123
Energy: 0.4111196351022671
Energy: 0.40679446902454264
Energy: 0.4523077472682403
Energy: 0.40679446902760863
Energy: 0.40525004203895415
Energy: 0.43012576137567776
Energy: 0.4072623016744877
Energy: 0.4301257613695456
Energy: 0.4103014249789885
Energy: 0.41737739298686477
Energy: 0.5713851201025253
Energy: 0.41737739298839777
Energy: 0.4029709270676584
Energy: 0.4939349435499945
Energy: 0.43067543915616396
Energy: 0.493934943547695
Energy: 0.41097491332752795
Energy: 0.40649849387808334
Energy: 0.5853126261321446
Energy: 0.40649849387808334
Energy: 0.5451186034304426
Energy: 0.6026170152777335
Energy: 0.40729008298919145
Energy: 0.602617015276967
Energy: 0.4101073371406574
Energy: 0.4171999814234912
Energy: 0.4933059477465446
Energy: 0.4171999814234912
Energy: 0.5221955753365644
Energy: 0.5332906712305073
Energy: 0.4111098167477821
Energy: 0.5332906712320402
Energy: 0.41149848739515565
Energy: 0.40660525510793544
Energy: 0.39958425384549107
Energy: 0.4066052551094685
Energy: 0.5165989603414053
Energy: 0.5506549951774975
Energy: 0.4103083544509369
Energy: 0.5506549951805636
Energy: 0.4102121674867872
Energy: 0.42994661714475807
Energy: 0.4038650569509477
Energy: 0.4299466171424585
Energy: 0.5056129871708052
Energy: 0.49972289055597535
Energy: 0.41077036670429606
Energy: 0.49972289055980784
Energy: 0.4334040556732934
Energy: 0.406430537655708
Energy: 0.4030159544748568
Energy: 0.4064305376564745
Energy: 0.5852755817637197
Energy: 0.5496682377455313
Energy: 0.410469856580021
Energy: 0.5496682377447648
Energy: 0.410368362257195
Energy: 0.6029316393378413
Energy: 0.4130409548646062
Energy: 0.6029316393370749
Energy: 0.4064255580203182
Energy: 0.4171853880725914
Energy: 0.41088357694442385
Energy: 0.41718538807182487
Energy: 0.4111516959730101
Energy: 0.44674208025808354
Energy: 0.5216479199538906
Energy: 0.446742080254251
Energy: 0.39950800680834
Energy: 0.4691492662214412
Energy: 0.4097538071266041
Energy: 0.4691492662222077
Energy: 0.4098277126781034
Energy: 0.549770473939469
Energy: 0.5162725847231643
Energy: 0.5497704739371695
Energy: 0.40286660839023436
Energy: 0.42988232881247146
Energy: 0.40661346407921134
Energy: 0.42988232881323796

minimum gb energy = 0.39950800680834 eV
minimum distance =  2.60136146407496 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.5203885733527752
Energy: 0.38867099607854394
Energy: 0.38751882732441156
Energy: 0.3886709960804292
Energy: 0.5506635483900856
Energy: 0.380233445972049
Energy: 0.3774531947271523
Energy: 0.38023344597016373
Energy: 0.38687719270247695
Energy: 0.37588107990401676
Energy: 0.3744326361185254
Energy: 0.3758810799033884
Energy: 0.5179983432536505
Energy: 0.44834306040016153
Energy: 0.37737988578536097
Energy: 0.44834306040138977
Energy: 0.3743896134481498
Energy: 0.46182674846668287
Energy: 0.37590346741497016
Energy: 0.4618267484641692
Energy: 0.44365232408437744
Energy: 0.44835866739664193
Energy: 0.3772773486974536
Energy: 0.4483586673916146
Energy: 0.37678471977152506
Energy: 0.44831509449883106
Energy: 0.41409504182378787
Energy: 0.44831509450197315
Energy: 0.3718603077120116
Energy: 0.38752136295920053
Energy: 0.3749297924725046
Energy: 0.3875213629566868
Energy: 0.37908998768755703
Energy: 0.38897461655689247
Energy: 0.4810463413582272
Energy: 0.3889746165663187
Energy: 0.3752882681106462
Energy: 0.4454583451862019
Energy: 0.38752433961711846
Energy: 0.44545834518808713
Energy: 0.37679034428704966
Energy: 0.3801137870010634
Energy: 0.5864229332449595
Energy: 0.38011378700169185
Energy: 0.3741489992645067
Energy: 0.4547938495512596
Energy: 0.521003582997584
Energy: 0.45479384955251645
Energy: 0.3791501781666362
Energy: 0.5075706980271071
Energy: 0.6223336414096914
Energy: 0.5075706980239652
Energy: 0.4920841138395093
Energy: 0.5172126416967673
Energy: 0.3875295630010872
Energy: 0.5172126416967673
Energy: 0.3768033616718193
Energy: 0.38012139791749616
Energy: 0.5162454969169677
Energy: 0.3801213977924984
Energy: 0.47518640434878306
Energy: 0.5298866060627239
Energy: 0.3750166978385542
Energy: 0.5298866060627239
Energy: 0.3790289621767476
Energy: 0.50584543036962
Energy: 0.4431908122550057
Energy: 0.5058454303683632
Energy: 0.4715258441113835
Energy: 0.5046435345815687
Energy: 0.3773808279791878
Energy: 0.5046435345777981
Energy: 0.3768012230959067
Energy: 0.38784331706820263
Energy: 0.3719237966926387
Energy: 0.38784331707008785
Energy: 0.4657561702412078
Energy: 0.4541960718592788
Energy: 0.3807937414922784
Energy: 0.4541960718617925
Energy: 0.3894359657420748
Energy: 0.5053702212535085
Energy: 0.3751801338004143
Energy: 0.5053702212547653
Energy: 0.5871427996700425
Energy: 0.4298545787695857
Energy: 0.3773775519969621
Energy: 0.4298545787689573
Energy: 0.5227530401284417
Energy: 0.45519461121691057
Energy: 0.37383126621658724
Energy: 0.4551946112250799
Energy: 0.5218740515049646
Energy: 0.5741817640277846
Energy: 0.3813564469736306
Energy: 0.5741817640258995
Energy: 0.38943337894755375
Energy: 0.42121222797948016
Energy: 0.379414749117284
Energy: 0.42121222797948016
Energy: 0.5162778316963764
Energy: 0.6168168339187718
Energy: 0.37739467831154555
Energy: 0.6168168339168866
Energy: 0.3769546600504938
Energy: 0.5306637606546577
Energy: 0.47522117120436524
Energy: 0.5306637606552577
Energy: 0.3747667291605797
Energy: 0.5058405643988364
Energy: 0.38104173818509757
Energy: 0.5058405643994649
Energy: 0.37913605339485135
Energy: 0.42156074774889124
Energy: 0.47116575841761316
Energy: 0.42156074775077645
Energy: 0.3717414499387724
Energy: 0.590397452738039
Energy: 0.37985198370574
Energy: 0.590397452738039
Energy: 0.38080533677010003
Energy: 0.45409302939985435
Energy: 0.46541882473626023
Energy: 0.4540930293979691
Energy: 0.37400186434423155
Energy: 0.5059751318168536
Energy: 0.3925126072196981
Energy: 0.5059751318168536

minimum gb energy = 0.3717414499387724 eV
minimum distance =  2.59725162641878 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.47899324776328694
Energy: 0.5632543914467734
Energy: 0.6754135247349294
Energy: 0.5632543914462411
Energy: 0.6014836544266724
Energy: 0.35958934409933563
Energy: 0.35864720025008195
Energy: 0.3595893440131423
Energy: 0.36969989757958777
Energy: 0.35777561573295147
Energy: 0.35163917921168303
Energy: 0.3577756157345485
Energy: 0.5311014264315885
Energy: 0.36044880983335703
Energy: 0.35876477954659464
Energy: 0.36044880987275146
Energy: 0.3567182997372558
Energy: 0.5664947581485262
Energy: 0.3542630677705002
Energy: 0.5664947581485262
Energy: 0.4669211058187407
Energy: 0.41822939413267
Energy: 0.35867039806940143
Energy: 0.4182293941385259
Energy: 0.35816111316312266
Energy: 0.42072618799896283
Energy: 0.38405060450788137
Energy: 0.4207261880005599
Energy: 0.4100445256891497
Energy: 0.4197187142074109
Energy: 0.3585856832322887
Energy: 0.41971871420474915
Energy: 0.359700864267399
Energy: 0.3668740746847024
Energy: 0.4720563864423374
Energy: 0.3668740746878965
Energy: 0.34871406678847755
Energy: 0.3595915413838035
Energy: 0.35708481152158367
Energy: 0.3595915414199553
Energy: 0.35822166299555636
Energy: 0.36017407744712565
Energy: 0.5512478954394743
Energy: 0.3601740774529815
Energy: 0.3541981003221465
Energy: 0.41419104276831215
Energy: 0.3703633664658964
Energy: 0.4141910427662311
Energy: 0.3597274958099865
Energy: 0.56748378816987
Energy: 0.6223967283371428
Energy: 0.5674837881677406
Energy: 0.35046409987700017
Energy: 0.3612927890014253
Energy: 0.47928899925273344
Energy: 0.3612927889971665
Energy: 0.35828224230376376
Energy: 0.35992219214365967
Energy: 0.5999000446866384
Energy: 0.3599221921468539
Energy: 0.4487465968410584
Energy: 0.41451049852911076
Energy: 0.3701152922862626
Energy: 0.41451049852538424
Energy: 0.3597669051902621
Energy: 0.5678509648264689
Energy: 0.5625616052852486
Energy: 0.5678509648270011
Energy: 0.4381051610111718
Energy: 0.5657054315236699
Energy: 0.3571588640887549
Energy: 0.5657054315226052
Energy: 0.35831140043778537
Energy: 0.3598114873298914
Energy: 0.46711700304875087
Energy: 0.3598114873229707
Energy: 0.4345781172632454
Energy: 0.4783667834749612
Energy: 0.35860256024283244
Energy: 0.4783667834760259
Energy: 0.35992213335022255
Energy: 0.42759559630566923
Energy: 0.410729124536364
Energy: 0.42759559630726635
Energy: 0.430020803963053
Energy: 0.36871846652831664
Energy: 0.3616952231827854
Energy: 0.368718468893094
Energy: 0.35826166941868337
Energy: 0.36165376574970504
Energy: 0.3484580082829573
Energy: 0.3616537653740064
Energy: 0.5500785153054981
Energy: 0.4167793129200612
Energy: 0.35864970416626196
Energy: 0.4167793128961051
Energy: 0.3713648995184254
Energy: 0.555289438561737
Energy: 0.35169442344620516
Energy: 0.5552894385612047
Energy: 0.5373803286959571
Energy: 0.36302734192413355
Energy: 0.36149224514779493
Energy: 0.3630273419236012
Energy: 0.4807098606261337
Energy: 0.35910466921748707
Energy: 0.35032583262967787
Energy: 0.35910466892585235
Energy: 0.5983887898952431
Energy: 0.4175579720038694
Energy: 0.35862015836227146
Energy: 0.41755797200174
Energy: 0.3713229490512205
Energy: 0.48324874477283786
Energy: 0.3509957357027267
Energy: 0.48324874477070845
Energy: 0.4711386301984536
Energy: 0.566633736423019
Energy: 0.3616940531909225
Energy: 0.5666337364208895
Energy: 0.35834375642258387
Energy: 0.47101952778537143
Energy: 0.4375503632849654
Energy: 0.47101952778963024
Energy: 0.46746934626613407
Energy: 0.36199683681816136
Energy: 0.3587519467520196
Energy: 0.36199683682135547
Energy: 0.359769266685994
Energy: 0.4828622580445605
Energy: 0.43430881411953637
Energy: 0.4828622580434958
Energy: 0.3502769850515156
Energy: 0.5541181770057819
Energy: 0.3616661779168757
Energy: 0.5541181770052495
Energy: 0.3524753971779109
Energy: 0.38664203116031837
Energy: 0.4300161311441371
Energy: 0.386642031159786
Energy: 0.3484053845298968
Energy: 0.360808387138861
Energy: 0.3603213764248953
Energy: 0.36080838713939334
Energy: 0.35995507743877897
Energy: 0.40324451841867937
Energy: 0.5506798716018702
Energy: 0.4032445184256

minimum gb energy = 0.3484053845298968 eV
minimum distance =  2.60200851737979 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.45014706455372766
Energy: 0.34651742609798913
Energy: 0.5683002434585924
Energy: 0.34651742609752745
Energy: 0.5760166179821696
Energy: 0.34381395107257234
Energy: 0.3277676557066455
Energy: 0.34381395109609875
Energy: 0.43171691526139794
Energy: 0.3433847082739357
Energy: 0.6834412016451802
Energy: 0.3433847082748592
Energy: 0.5288426217422241
Energy: 0.34413887590753556
Energy: 0.3276837862873516
Energy: 0.3441388759066122
Energy: 0.3421551366278555
Energy: 0.3271785744522135
Energy: 0.315117340311617
Energy: 0.3271785744517518
Energy: 0.4747561545760858
Energy: 0.3875841423214457
Energy: 0.32787766526903694
Energy: 0.3875841423195989
Energy: 0.3257782207018882
Energy: 0.3974492615219622
Energy: 0.37569848598284916
Energy: 0.3974492615228856
Energy: 0.41720986159863704
Energy: 0.38782712528447105
Energy: 0.3276969354421887
Energy: 0.3878271252830859
Energy: 0.3272618544081797
Energy: 0.3798180791048885
Energy: 0.42252896324622174
Energy: 0.3798180791044268
Energy: 0.3663654853080079
Energy: 0.39720411654840154
Energy: 0.32620119609725956
Energy: 0.39720411654747817
Energy: 0.32879373244340615
Energy: 0.3878675147553211
Energy: 0.47124277678860654
Energy: 0.38786751475347425
Energy: 0.31541276203984747
Energy: 0.3879553166412616
Energy: 0.3425601829198256
Energy: 0.38795531663156557
Energy: 0.3273886641980179
Energy: 0.3337627364337887
Energy: 0.5392827422905063
Energy: 0.3337627364342504
Energy: 0.3187165027227874
Energy: 0.387782504931095
Energy: 0.432153281384363
Energy: 0.38778250493155675
Energy: 0.3287594260767985
Energy: 0.3437840222634462
Energy: 0.5765576899514305
Energy: 0.34378402226713983
Energy: 0.31663427410332684
Energy: 0.3465741927291044
Energy: 0.45073835472231133
Energy: 0.3465741927295661
Energy: 0.3274114638687029
Energy: 0.33383553155188794
Energy: 0.5771422809118604
Energy: 0.33383553155142626
Energy: 0.404420742293106
Energy: 0.3877237686911703
Energy: 0.4321617767943676
Energy: 0.3877237686897852
Energy: 0.3288025192446892
Energy: 0.3437371067209624
Energy: 0.5287198940988858
Energy: 0.34373710681834213
Energy: 0.39287469924930507
Energy: 0.347461702007354
Energy: 0.34262767386353604
Energy: 0.3474617019935235
Energy: 0.32738040427804466
Energy: 0.3337534930053475
Energy: 0.47380698488968265
Energy: 0.33375349300765605
Energy: 0.39059214962205374
Energy: 0.4382267802090382
Energy: 0.3262125380127623
Energy: 0.43822678020811484
Energy: 0.3288968581354411
Energy: 0.3426443440211308
Energy: 0.4179402411518219
Energy: 0.342644344020669
Energy: 0.3878076710742
Energy: 0.39806781998646973
Energy: 0.32779808400696825
Energy: 0.39806781998646973
Energy: 0.32748669252800877
Energy: 0.34322773112788957
Energy: 0.3660932057437016
Energy: 0.34322773112696614
Energy: 0.48776749906846
Energy: 0.3880906188860718
Energy: 0.3281840343479498
Energy: 0.3880906188860718
Energy: 0.34380790052686966
Energy: 0.3427810796811099
Energy: 0.3152785557912668
Energy: 0.3427810796898825
Energy: 0.4901838925675699
Energy: 0.3976828502589043
Energy: 0.3278402044246002
Energy: 0.3976828502630597
Energy: 0.43356858088597394
Energy: 0.3873142522879347
Energy: 0.3186074199641925
Energy: 0.3873142522828558
Energy: 0.5763256494309208
Energy: 0.3880021492935096
Energy: 0.32844261302941063
Energy: 0.38800214929443305
Energy: 0.45180602991094837
Energy: 0.3421766631456261
Energy: 0.3165312732610263
Energy: 0.34217666314839634
Energy: 0.5392321875400147
Energy: 0.44190886976744714
Energy: 0.32776893856695005
Energy: 0.44190886976883226
Energy: 0.43341597032043155
Energy: 0.38714533052928524
Energy: 0.32340464770483174
Energy: 0.3871453305131462
Energy: 0.5285005261586876
Energy: 0.38810347118260086
Energy: 0.3286594774008681
Energy: 0.3881034711858328
Energy: 0.3438843822588539
Energy: 0.34283866260951695
Energy: 0.39282495784279353
Energy: 0.3428386626118255
Energy: 0.42123519817913624
Energy: 0.3532271478316334
Energy: 0.32783682162902616
Energy: 0.35322714783070996
Energy: 0.32742047328115564
Energy: 0.4382434054862475
Energy: 0.39058108746593134
Energy: 0.43824340548763263
Energy: 0.4174019681341608
Energy: 0.34294014322589433
Energy: 0.32798341938739617
Energy: 0.3429401432254326
Energy: 0.3289594750657813
Energy: 0.3428638706234925
Energy: 0.38766698494916474
Energy: 0.3428638705547391
Energy: 0.3169003875219227
Energy: 0.4520267795325409
Energy: 0.32893174638092637
Energy: 0.45202677953392606
Energy: 0.3277536784375763
Energy: 0.3885977226326812
Energy: 0.48821601671742554
Energy: 0.3885977226363749
Energy: 0.3152066219939132
Energy: 0.34303168654653504
Energy: 0.34394620605317694
Energy: 0.3430316865373008
Energy: 0.32890345770380197
Energy: 0.34282474723896095
Energy: 0.4896872902556202
Energy: 0.3428247472398843

minimum gb energy = 0.315117340311617 eV
minimum distance =  2.60677856977572 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.013662445536363473
Energy: 0.014951101299000038
Energy: 0.8977013974635463
Energy: 0.014951101297264768
Energy: 0.5252808706153093
Energy: 0.20664085508577187
Energy: 0.20592156023615033
Energy: 0.20664085508819732
Energy: 0.013662445536363473
Energy: 0.014951101299335263
Energy: 0.5258359719647945
Energy: 0.014951101297264768
Energy: 0.525280870614974
Energy: 0.20664085508750715
Energy: 0.2059215602358151
Energy: 0.20664085508750715
Energy: 0.013662445536363473
Energy: 0.014951101299000038
Energy: 0.5258368419205097
Energy: 0.014951101297264768
Energy: 0.5252808706153093
Energy: 0.20664085508508173
Energy: 0.20592156023755037
Energy: 0.20664085508784238

minimum gb energy = 0.013662445536363473 eV
minimum distance =  2.84346017028811 Angstroms
sigma value = 1