Model name: model_name=EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_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=4.032073378562927
cohesive_energy=3.360270999181857
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.010444521894731194
Energy: 0.4011419820803544
Energy: 0.010444521894731194
Energy: 0.4011419820803544
Energy: 0.010444521894731194
Energy: 0.4011419820803544
Energy: 0.4011419820803544
Energy: 0.30613251926055857
Energy: 0.4011419820803544
Energy: 0.30613251926030655
Energy: 0.4011419820803544
Energy: 0.30613251926005447
Energy: 0.010444521894731194
Energy: 0.4011419820803544
Energy: 0.010444521894731194
Energy: 0.4011419820803544
Energy: 0.010444521894731194
Energy: 0.4011419820803544
Energy: 0.4011419820803544
Energy: 0.30613251926055857
Energy: 0.4011419820803544
Energy: 0.30613251926030655
Energy: 0.4011419820803544
Energy: 0.30613251926030655
Energy: 0.010444521894731194
Energy: 0.4011419820803544
Energy: 0.010444521894731194
Energy: 0.4011419820803544
Energy: 0.010444521894731194
Energy: 0.4011419820803544
Energy: 0.4011419820803544
Energy: 0.30613251926005447
Energy: 0.4011419820806066
Energy: 0.30613251926005447
Energy: 0.4011419820803544
Energy: 0.30613251926030655

minimum gb energy = 0.010444521894731194 eV
minimum distance =  2.80954440975563 Angstroms
sigma value = 1


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

Energy: 0.5399645327934277
Energy: 0.5459045666646406
Energy: 0.5399645327928208
Energy: 0.5459045666646406
Energy: 0.5399645327934277
Energy: 0.5459045666646406
Energy: 0.6017913463653927
Energy: 0.4837117080459711
Energy: 0.6017913463647858
Energy: 0.4837117080459711
Energy: 0.6017913463659994
Energy: 0.4837117080459711
Energy: 0.5170690432974124
Energy: 0.5520932996193771
Energy: 0.5170690432968056
Energy: 0.5520932996193771
Energy: 0.5170690432968056
Energy: 0.5520932996193771
Energy: 0.5833215479135136
Energy: 0.49785872931725195
Energy: 0.5833215479129069
Energy: 0.49785872931785874
Energy: 0.5833215479129069
Energy: 0.49785872931785874
Energy: 0.5228143751009033
Energy: 0.5586170658836912
Energy: 0.5228143751015102
Energy: 0.5586170658830844
Energy: 0.5228143751015102
Energy: 0.5586170658836912
Energy: 0.539972173741531
Energy: 0.5097021838446296
Energy: 0.5399721737403174
Energy: 0.5097021838446296
Energy: 0.5399721737397106
Energy: 0.5097021838446296
Energy: 0.5092116896661718
Energy: 0.5344133013597518
Energy: 0.5092116896661718
Energy: 0.5344133013597518
Energy: 0.5092116896661718
Energy: 0.5344133013603586
Energy: 0.49822713894257104
Energy: 0.585514705678716
Energy: 0.49822713894257104
Energy: 0.585514705678716
Energy: 0.4982271389419643
Energy: 0.585514705678716
Energy: 0.5527774957374878
Energy: 0.5297743151278584
Energy: 0.5527774957374878
Energy: 0.5297743151284652
Energy: 0.5527774957380945
Energy: 0.5297743151284652
Energy: 0.48011046912252925
Energy: 0.5616668672851401
Energy: 0.4801104691213156
Energy: 0.5616668672857469
Energy: 0.48011046912252925
Energy: 0.5616668672851401
Energy: 0.5103784093918079
Energy: 0.49237324177167535
Energy: 0.5103784093918079
Energy: 0.49237324177228214
Energy: 0.5103784093924147
Energy: 0.49237324177228214
Energy: 0.4891978336439546
Energy: 0.6283349647632069
Energy: 0.48919783364456143
Energy: 0.6283349647632069
Energy: 0.48919783364456143
Energy: 0.6283349647632069
Energy: 0.5736454846336385
Energy: 0.4755878479936236
Energy: 0.5736454846342453
Energy: 0.4755878479936236
Energy: 0.5736454846342453
Energy: 0.4755878479942304
Energy: 0.5011435928702384
Energy: 0.5049467748462915
Energy: 0.5011435928696315
Energy: 0.504946774847505
Energy: 0.5011435928702384
Energy: 0.5049467748462915
Energy: 0.611115342018237
Energy: 0.48828933052877865
Energy: 0.611115342018237
Energy: 0.48828933052877865
Energy: 0.6111153420176303
Energy: 0.48828933052877865
Energy: 0.5848422544241478
Energy: 0.5692818719009606
Energy: 0.5848422544247547
Energy: 0.5692818719009606
Energy: 0.5848422544235411
Energy: 0.5692818719009606
Energy: 0.5218150107409067
Energy: 0.5294037727502829
Energy: 0.5218150107409067
Energy: 0.5294037727502829
Energy: 0.5218150107415137
Energy: 0.529403772749676
Energy: 0.519722100221975
Energy: 0.5308900437101558
Energy: 0.5197221002231885
Energy: 0.5308900437101558
Energy: 0.5197221002231885
Energy: 0.5308900437101558
Energy: 0.4824087082249628
Energy: 0.5127477805740064
Energy: 0.48240870822556964
Energy: 0.5127477805740064
Energy: 0.5085014603473882
Energy: 0.5127477805740064
Energy: 0.5756682153117745
Energy: 0.49298597302626207
Energy: 0.5756682153117745
Energy: 0.49298597302565533
Energy: 0.5756682153117745
Energy: 0.49298597302626207
Energy: 0.4987323670844288
Energy: 0.6422814431302818
Energy: 0.4987323670844288
Energy: 0.6422814431308888
Energy: 0.49873236708382207
Energy: 0.6422814431308888
Energy: 0.5363081295972637
Energy: 0.5293473806890615
Energy: 0.5363081295972637
Energy: 0.5293473806890615
Energy: 0.5363081295972637
Energy: 0.5293473806890615
Energy: 0.47666821752364436
Energy: 0.5965929565521847
Energy: 0.4766682175242512
Energy: 0.5965929565521847
Energy: 0.4766682175242512
Energy: 0.5965929565521847

minimum gb energy = 0.4755878479936236 eV
minimum distance =  2.6848552719509 Angstroms
sigma value = 33


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

Energy: 0.5077590039674287
Energy: 0.5283301727309588
Energy: 0.5077590039670836
Energy: 0.5283301727323394
Energy: 0.5077590039670836
Energy: 0.5283301727319942
Energy: 0.5754746650043429
Energy: 0.5099268375060578
Energy: 0.575474665002617
Energy: 0.5099268375060578
Energy: 0.5754746650043429
Energy: 0.5099268375060578
Energy: 0.4934844693708816
Energy: 0.5131542914445023
Energy: 0.49348446937157187
Energy: 0.5131542914448474
Energy: 0.49348446937122664
Energy: 0.513154291441396
Energy: 0.5119947210894138
Energy: 0.5451578812818025
Energy: 0.5119947210887236
Energy: 0.5451578812821476
Energy: 0.5119947210890686
Energy: 0.5451578812821476
Energy: 0.49565852288805334
Energy: 0.5832392265253012
Energy: 0.495658522887363
Energy: 0.5832392265256463
Energy: 0.4956585228883984
Energy: 0.5832392265256463
Energy: 0.5253108933206958
Energy: 0.4924709455353221
Energy: 0.5253108933203506
Energy: 0.4924709455353221
Energy: 0.5253108933203506
Energy: 0.49247094553497694
Energy: 0.5603724509032867
Energy: 0.5085812778424248
Energy: 0.5603724509036319
Energy: 0.5085812778441505
Energy: 0.5603724509039769
Energy: 0.5085812778441505
Energy: 0.4831378658239296
Energy: 0.5088181809600594
Energy: 0.4831378658242747
Energy: 0.50881818096144
Energy: 0.48313786582461987
Energy: 0.5088181809624754
Energy: 0.5124979929842698
Energy: 0.4915680902866385
Energy: 0.5124979929832344
Energy: 0.4915680902869837
Energy: 0.5124979929849601
Energy: 0.4915680902866385
Energy: 0.4597836657186445
Energy: 0.5634501869197737
Energy: 0.4597836657186445
Energy: 0.5634501869225348
Energy: 0.45978366571795426
Energy: 0.5634501869221897
Energy: 0.5602877608687845
Energy: 0.45226916049260846
Energy: 0.5602877608684395
Energy: 0.4522691604929535
Energy: 0.5602877608684395
Energy: 0.45226916049329874
Energy: 0.5051412065956471
Energy: 0.5102908545448975
Energy: 0.5051412065963372
Energy: 0.5102908545452426
Energy: 0.5051412065949569
Energy: 0.5102908545452426
Energy: 0.5088050722519472
Energy: 0.48250819506267595
Energy: 0.5088050722529825
Energy: 0.4825081950630212
Energy: 0.5088050722526374
Energy: 0.48250819506267595
Energy: 0.5110614184925165
Energy: 0.5306852526885796
Energy: 0.5110614184918262
Energy: 0.5306852526892699
Energy: 0.5110614184921713
Energy: 0.5306852526899601
Energy: 0.5552436357606745
Energy: 0.5253683951843678
Energy: 0.5552436357610195
Energy: 0.5253683951847129
Energy: 0.5552436357599841
Energy: 0.5253683951847129
Energy: 0.4914108461472081
Energy: 0.5127254602074266
Energy: 0.49141084614927893
Energy: 0.5127254602094974
Energy: 0.4914108461482435
Energy: 0.5127254602084619
Energy: 0.5159037490836663
Energy: 0.5134668624764386
Energy: 0.515903749082976
Energy: 0.5134668624764386
Energy: 0.515903749083321
Energy: 0.5134668624764386
Energy: 0.5125101121986346
Energy: 0.4926754912132495
Energy: 0.5125101121989797
Energy: 0.49267549121359466
Energy: 0.5125101121969089
Energy: 0.4926754912139398
Energy: 0.49877255583810765
Energy: 0.5151863346394709
Energy: 0.49877255583914315
Energy: 0.5151863346367098
Energy: 0.49877255583810765
Energy: 0.5151863346394709
Energy: 0.5290615651628948
Energy: 0.5082782399289432
Energy: 0.5290615651653108
Energy: 0.5082782399289432
Energy: 0.529061565166001
Energy: 0.508278239928598
Energy: 0.48424434259418764
Energy: 0.5086963909799862
Energy: 0.4842443425945328
Energy: 0.5086963909796411
Energy: 0.48424434259315224
Energy: 0.5086963909813668
Energy: 0.4953383747251941
Energy: 0.49139098230851386
Energy: 0.49533837473313247
Energy: 0.49139098230851386
Energy: 0.49533837472933584
Energy: 0.49139098230816874
Energy: 0.45074211331880254
Energy: 0.5684697229987111
Energy: 0.45074211331848874
Energy: 0.5684697229990564
Energy: 0.45074211331848874
Energy: 0.5684697229987111
Energy: 0.5610055404930283
Energy: 0.49650505918049015
Energy: 0.561005540494409
Energy: 0.49650505918049015
Energy: 0.5610055404926833
Energy: 0.49650505918014504
Energy: 0.4934286839172238
Energy: 0.5246769793417355
Energy: 0.4934286839182592
Energy: 0.5246769793424259
Energy: 0.4934286839186043
Energy: 0.5246769793420807
Energy: 0.5087255692813658
Energy: 0.5668688336790635
Energy: 0.5087255692799854
Energy: 0.5668688336794085
Energy: 0.5087255692820561
Energy: 0.5668688336794085
Energy: 0.5086683829162109
Energy: 0.5667994221982952
Energy: 0.5086683829148303
Energy: 0.5667994221982952
Energy: 0.508668382911724
Energy: 0.5667994221982952
Energy: 0.4934856352643275
Energy: 0.5245215006698903
Energy: 0.4934856352639823
Energy: 0.5245215006695453
Energy: 0.4934856352643275
Energy: 0.5245215006695453
Energy: 0.5606116953001617
Energy: 0.4965105805303905
Energy: 0.5606116952998167
Energy: 0.4965105805303905
Energy: 0.560611695300507
Energy: 0.4965105805303905
Energy: 0.45069782377269396
Energy: 0.5690011274995238
Energy: 0.4506978237730391
Energy: 0.5690011274995238
Energy: 0.4506978237733843
Energy: 0.5690011274995238
Energy: 0.49783338653507053
Energy: 0.49150100287706555
Energy: 0.49783338653645115
Energy: 0.4915010028767204
Energy: 0.49783338653645115
Energy: 0.49150100287706555
Energy: 0.48426630197909154
Energy: 0.5094977359257896
Energy: 0.48426630198012705
Energy: 0.5094977359188867
Energy: 0.48426630198047216
Energy: 0.5094977359257896
Energy: 0.5288571825814712
Energy: 0.5082041425233326
Energy: 0.5288571825838873
Energy: 0.5082041425233326
Energy: 0.5288571825838873
Energy: 0.5082041425233326
Energy: 0.4989262626134047
Energy: 0.5154492908282783
Energy: 0.49892626261616596
Energy: 0.5154492908244818
Energy: 0.4989262626144403
Energy: 0.5154492908248268
Energy: 0.512732207794759
Energy: 0.4923465900871172
Energy: 0.5127322077940688
Energy: 0.4923465900871172
Energy: 0.51273220779683
Energy: 0.4923465900874623
Energy: 0.5158422923489289
Energy: 0.5133863512100255
Energy: 0.5158422923478934
Energy: 0.5133863512100255
Energy: 0.5158422923489289
Energy: 0.5133863512103707
Energy: 0.4915344530235561
Energy: 0.5127814104141925
Energy: 0.4915344530235561
Energy: 0.5127814104138473
Energy: 0.49153445302286575
Energy: 0.5127814104135021
Energy: 0.5552111728847552
Energy: 0.5251425132096865
Energy: 0.5552111728851002
Energy: 0.5251425132096865
Energy: 0.5552111728854454
Energy: 0.5251425132096865
Energy: 0.5111450597755203
Energy: 0.5308703971345011
Energy: 0.5111450597762105
Energy: 0.5308703971355365
Energy: 0.5111450597758654
Energy: 0.5308703971369171
Energy: 0.5087517815903154
Energy: 0.48244264090399497
Energy: 0.5087517815992892
Energy: 0.4824426409036498
Energy: 0.5087517815992892
Energy: 0.4824426409036498
Energy: 0.5051137956452177
Energy: 0.5102846849866233
Energy: 0.5051137956445274
Energy: 0.5102846849869683
Energy: 0.5051137956448726
Energy: 0.5102846849869683

minimum gb energy = 0.45069782377269396 eV
minimum distance =  2.67674634483717 Angstroms
sigma value = 51


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

Energy: 0.5559018777605415
Energy: 0.5461679483740871
Energy: 0.5559018777605415
Energy: 0.5461679483740871
Energy: 0.5559018777605415
Energy: 0.5461679483740871
Energy: 0.5785582659229397
Energy: 0.4886776404093755
Energy: 0.5785582659237394
Energy: 0.4886776404093755
Energy: 0.5785582659229397
Energy: 0.4886776404093755
Energy: 0.4824899616652307
Energy: 0.529466448602622
Energy: 0.4824899616652307
Energy: 0.5294664486018222
Energy: 0.48248996166443103
Energy: 0.5294664486010227
Energy: 0.5075821089167696
Energy: 0.4693600021818904
Energy: 0.5075821089159699
Energy: 0.4693600021818904
Energy: 0.5075821089167696
Energy: 0.4693600021818904
Energy: 0.5445635116174595
Energy: 0.518452749011693
Energy: 0.5445635116166598
Energy: 0.518452749011693
Energy: 0.5445635116174595
Energy: 0.5184527490108933
Energy: 0.5598989715024599
Energy: 0.5184678934995893
Energy: 0.5598989715024599
Energy: 0.5184678934995893
Energy: 0.5598989715032596
Energy: 0.5184678934995893
Energy: 0.5540997976299309
Energy: 0.5213148649765444
Energy: 0.5540997976291313
Energy: 0.5213148649773443
Energy: 0.5540997976299309
Energy: 0.5213148649773443
Energy: 0.479519521211558
Energy: 0.5189479051991838
Energy: 0.479519521211558
Energy: 0.5189479051991838
Energy: 0.479519521211558
Energy: 0.5189479051991838
Energy: 0.59548466909401
Energy: 0.46481833368324826
Energy: 0.5954846690948097
Energy: 0.46481833368324826
Energy: 0.59548466909401
Energy: 0.46481833368324826
Energy: 0.4892086010049656
Energy: 0.6083159324352806
Energy: 0.48920860100416597
Energy: 0.6083159324352806
Energy: 0.4892086010049656
Energy: 0.6083159324352806
Energy: 0.5993981802236058
Energy: 0.47278001438237016
Energy: 0.5993981802236058
Energy: 0.47278001438237016
Energy: 0.5993981802252051
Energy: 0.47278001438237016
Energy: 0.5468895612745297
Energy: 0.5472797076214075
Energy: 0.5468895612745297
Energy: 0.5472797076214075
Energy: 0.5468895612745297
Energy: 0.5472797076214075
Energy: 0.5820121017206628
Energy: 0.49103869246149434
Energy: 0.5820121017206628
Energy: 0.49103869246149434
Energy: 0.5820121017214623
Energy: 0.49103869246149434
Energy: 0.48207491792447005
Energy: 0.5123110033631507
Energy: 0.48207491792447005
Energy: 0.5123110033631507
Energy: 0.48207491792447005
Energy: 0.5123110033631507
Energy: 0.5078537585196982
Energy: 0.5335037534534199
Energy: 0.5078537585196982
Energy: 0.5335037534534199
Energy: 0.507853758520498
Energy: 0.5335037534534199
Energy: 0.5621289127256156
Energy: 0.5183778909336099
Energy: 0.5621289127256156
Energy: 0.5183778909336099
Energy: 0.5621289127256156
Energy: 0.5183778909336099
Energy: 0.5270408847242233
Energy: 0.6006812675594755
Energy: 0.5270408847242233
Energy: 0.6006812675594755
Energy: 0.527040884725023
Energy: 0.6006812675594755
Energy: 0.5326369497431233
Energy: 0.518205756003566
Energy: 0.5326369497439228
Energy: 0.518205756003566
Energy: 0.5326369497431233
Energy: 0.518205756003566

minimum gb energy = 0.46481833368324826 eV
minimum distance =  2.58289838270841 Angstroms
sigma value = 19


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

Energy: 0.5393440670035592
Energy: 0.4241197108006832
Energy: 0.5393440670045079
Energy: 0.4241197108006832
Energy: 0.5393440670030849
Energy: 0.424119710801632
Energy: 0.5517468619875184
Energy: 0.5496673338112951
Energy: 0.5517468619870441
Energy: 0.5496673338117696
Energy: 0.5517468619875184
Energy: 0.5496673338112951
Energy: 0.3974990776510289
Energy: 0.5606439598152105
Energy: 0.39749907765055453
Energy: 0.5606439598156849
Energy: 0.3974990776510289
Energy: 0.5606439598156849
Energy: 0.5053054746170235
Energy: 0.39748379563283204
Energy: 0.5053054746160747
Energy: 0.3974837956333064
Energy: 0.5053054746165491
Energy: 0.39748379563283204
Energy: 0.42973997501904265
Energy: 0.49271289362723225
Energy: 0.4297399750166709
Energy: 0.4927128936258092
Energy: 0.42973997501996986
Energy: 0.49271289362723225
Energy: 0.4295718619650468
Energy: 0.4926617861046218
Energy: 0.4295718619645725
Energy: 0.4926617861046218
Energy: 0.4295718619636238
Energy: 0.49266178610509614
Energy: 0.5052613799288201
Energy: 0.39747243156706596
Energy: 0.5052613799283459
Energy: 0.39747243156706596
Energy: 0.5052613799292944
Energy: 0.39747243156706596
Energy: 0.3975031394244678
Energy: 0.5607168646220255
Energy: 0.3975031394239934
Energy: 0.5607168646215513
Energy: 0.3975031394239934
Energy: 0.560716864621077
Energy: 0.5517246606508011
Energy: 0.549697141664135
Energy: 0.5517246606503269
Energy: 0.5496971416665067
Energy: 0.5517246606498525
Energy: 0.5496971416660323
Energy: 0.5393440670040335
Energy: 0.424119710801632
Energy: 0.5393440670035592
Energy: 0.4241197108002089
Energy: 0.5393440670035592
Energy: 0.42411971080115757
Energy: 0.5517468619870441
Energy: 0.5496673338122439
Energy: 0.5517468619879928
Energy: 0.5496673338127182
Energy: 0.5517468619875184
Energy: 0.5496673338122439
Energy: 0.39749907765055453
Energy: 0.5606439598161591
Energy: 0.3974990776510289
Energy: 0.5606439598156849
Energy: 0.3974990776510289
Energy: 0.5606439598161591
Energy: 0.5053054746146516
Energy: 0.39748379563283204
Energy: 0.5053054746160747
Energy: 0.39748379563283204
Energy: 0.5053054746151261
Energy: 0.39748379563283204
Energy: 0.42973997501856837
Energy: 0.49271289362770665
Energy: 0.42973997501809397
Energy: 0.49271289362675796
Energy: 0.42973997501856837
Energy: 0.49271289362675796
Energy: 0.42957186196172625
Energy: 0.4926617861046218
Energy: 0.4295718619645725
Energy: 0.492661786103673
Energy: 0.4295718619659955
Energy: 0.4926617861055705
Energy: 0.5052613799288201
Energy: 0.39747243156706596
Energy: 0.5052613799283459
Energy: 0.39747243156706596
Energy: 0.5052613799283459
Energy: 0.3974724315675403
Energy: 0.3975031394244678
Energy: 0.5607168646215513
Energy: 0.3975031394239934
Energy: 0.560716864621077
Energy: 0.3975031394239934
Energy: 0.560716864621077
Energy: 0.5517246606498525
Energy: 0.5496971416650837
Energy: 0.5517246606517499
Energy: 0.5496971416660323
Energy: 0.5517246606517499
Energy: 0.5496971416660323
Energy: 0.5393440670035592
Energy: 0.42411971080115757
Energy: 0.5393440670035592
Energy: 0.42411971080115757
Energy: 0.5393440670035592
Energy: 0.42411971080115757
Energy: 0.5517468619875184
Energy: 0.5496673338103464
Energy: 0.5517468619875184
Energy: 0.5496673338122439
Energy: 0.5517468619875184
Energy: 0.5496673338108208
Energy: 0.39749907765055453
Energy: 0.5606439598161591
Energy: 0.39749907765055453
Energy: 0.5606439598152105
Energy: 0.3974990776510289
Energy: 0.5606439598152105
Energy: 0.5053054746174979
Energy: 0.39748379563283204
Energy: 0.5053054746174979
Energy: 0.3974837956333064
Energy: 0.5053054746170235
Energy: 0.39748379563283204
Energy: 0.4297399750161966
Energy: 0.49271289362675796
Energy: 0.42973997501904265
Energy: 0.4927128936253349
Energy: 0.4297399750176197
Energy: 0.49271289362438614
Energy: 0.4295718619631494
Energy: 0.492661786103673
Energy: 0.4295718619640981
Energy: 0.4926617861027243
Energy: 0.429571861962675
Energy: 0.492661786103673
Energy: 0.5052613799283459
Energy: 0.39747243156706596
Energy: 0.5052613799288201
Energy: 0.39747243156706596
Energy: 0.5052613799292944
Energy: 0.3974724315675403
Energy: 0.3975031394244678
Energy: 0.5607168646220255
Energy: 0.3975031394239934
Energy: 0.5607168646220255
Energy: 0.3975031394239934
Energy: 0.5607168646220255
Energy: 0.5517246606503269
Energy: 0.5496971416665067
Energy: 0.5517246606508011
Energy: 0.5496971416665067
Energy: 0.5517246606493996
Energy: 0.5496971416660323
Energy: 0.5393440670035592
Energy: 0.4241197108002089
Energy: 0.5393440670030849
Energy: 0.4241197108006832
Energy: 0.5393440670035592
Energy: 0.4241197108006832
Energy: 0.5517468619875184
Energy: 0.5496673338108208
Energy: 0.5517468619879928
Energy: 0.5496673338108208
Energy: 0.5517468619870441
Energy: 0.5496673338108208
Energy: 0.3974990776510289
Energy: 0.5606439598161591
Energy: 0.3974990776510289
Energy: 0.5606439598152105
Energy: 0.3974990776510289
Energy: 0.5606439598161591

minimum gb energy = 0.39747243156706596 eV
minimum distance =  2.582956921358 Angstroms
sigma value = 27


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

Energy: 0.4657003537450083
Energy: 0.4486067442603432
Energy: 0.4657003537450083
Energy: 0.4486067442603432
Energy: 0.46570035374617025
Energy: 0.4486067442603432
Energy: 0.5263660609551633
Energy: 0.47512693284664453
Energy: 0.5263660609563253
Energy: 0.47512693284664453
Energy: 0.5263660609551633
Energy: 0.47512693284664453
Energy: 0.37204390277830374
Energy: 0.5113818888959064
Energy: 0.37204390277946564
Energy: 0.5113818888959064
Energy: 0.37204390277830374
Energy: 0.5113818888959064
Energy: 0.45582142163212513
Energy: 0.4153776775011585
Energy: 0.45582142150204147
Energy: 0.4153776775011585
Energy: 0.4558214215345492
Energy: 0.4153776775011585
Energy: 0.4895491691116471
Energy: 0.4150955760387638
Energy: 0.4895491691104851
Energy: 0.4150955760387638
Energy: 0.48954916910932317
Energy: 0.4150955760387638
Energy: 0.46225634885169875
Energy: 0.5120084751682127
Energy: 0.46225634885169875
Energy: 0.5120084751682127
Energy: 0.46225634885169875
Energy: 0.5120084751658889
Energy: 0.3722584897611584
Energy: 0.4485877117820579
Energy: 0.3722584897611584
Energy: 0.4485877117820579
Energy: 0.3722584897611584
Energy: 0.4485877117820579
Energy: 0.45153960259667664
Energy: 0.45059407605887597
Energy: 0.45153960259667664
Energy: 0.45059407605887597
Energy: 0.45153960259667664
Energy: 0.45059407605887597
Energy: 0.4712893367205181
Energy: 0.4338035848117511
Energy: 0.471289336704251
Energy: 0.4338035848152369
Energy: 0.4712893367634832
Energy: 0.43380358481291303
Energy: 0.4559471539202585
Energy: 0.501074381417461
Energy: 0.4559471539214204
Energy: 0.501074381417461
Energy: 0.4559471539214204
Energy: 0.501074381416299
Energy: 0.43618194424976076
Energy: 0.3917110786662044
Energy: 0.43618194424976076
Energy: 0.3917110786662044
Energy: 0.43618194425092266
Energy: 0.39171107866504246
Energy: 0.4877527875655762
Energy: 0.47036060095675564
Energy: 0.4877527875655762
Energy: 0.47036060095445814
Energy: 0.4877527875655762
Energy: 0.47036060095445814

minimum gb energy = 0.37204390277830374 eV
minimum distance =  2.57781391273851 Angstroms
sigma value = 9


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

Energy: 0.4140722350172628
Energy: 0.3985814324906144
Energy: 0.4140722350159569
Energy: 0.3985814324899614
Energy: 0.41407223501530394
Energy: 0.3985814324886555
Energy: 0.5642368170281887
Energy: 0.36382623515679474
Energy: 0.5642368170294946
Energy: 0.3638262351554889
Energy: 0.5642368170291682
Energy: 0.3638262351561419
Energy: 0.3625627803274584
Energy: 0.5727611722811805
Energy: 0.36256278032582606
Energy: 0.5727611722841188
Energy: 0.3625627803261525
Energy: 0.5727611722811805
Energy: 0.3998688006699885
Energy: 0.3783896864844936
Energy: 0.39986880067064146
Energy: 0.3783896864844936
Energy: 0.3998688006699885
Energy: 0.3783896864848201
Energy: 0.39495385562219076
Energy: 0.380625351922598
Energy: 0.3949538556231702
Energy: 0.3806253519222715
Energy: 0.3949538556238232
Energy: 0.3806253519222715
Energy: 0.4043572839037215
Energy: 0.38314546250325565
Energy: 0.40435728390241554
Energy: 0.38314546250325565
Energy: 0.4043572839007832
Energy: 0.3831454625022762
Energy: 0.39249031199628825
Energy: 0.4365797281676766
Energy: 0.39249031199596174
Energy: 0.4365797281673502
Energy: 0.3924903119956353
Energy: 0.4365797281683296
Energy: 0.35932133112352843
Energy: 0.4405668958040146
Energy: 0.3593213311232019
Energy: 0.4405668958040146
Energy: 0.3593213311232019
Energy: 0.4405668958036882
Energy: 0.5109339221551894
Energy: 0.38099319508782636
Energy: 0.51093392215421
Energy: 0.38099319508782636
Energy: 0.5109339221519246
Energy: 0.38099319508782636
Energy: 0.39918002184650814
Energy: 0.503845182348097
Energy: 0.3991800218455287
Energy: 0.5038451823464647
Energy: 0.39918002184585527
Energy: 0.5038451823513618
Energy: 0.40022843841328826
Energy: 0.38544100577732743
Energy: 0.4002284384145942
Energy: 0.3854410057776539
Energy: 0.4002284384129618
Energy: 0.3854410057776539
Energy: 0.3570675552841012
Energy: 0.41745956116492844
Energy: 0.3570675552847541
Energy: 0.4174595611652549
Energy: 0.3570675552844277
Energy: 0.41745956116492844
Energy: 0.41058141966861894
Energy: 0.3774043095746725
Energy: 0.4105814196660071
Energy: 0.3774043095753255
Energy: 0.4105814196669865
Energy: 0.3774043095753255
Energy: 0.414790681647456
Energy: 0.49626614278439407
Energy: 0.41479068164712957
Energy: 0.49626614278504705
Energy: 0.4147906816468031
Energy: 0.49626614278341463
Energy: 0.3802446851612482
Energy: 0.4124329481031804
Energy: 0.3802446851622276
Energy: 0.41243294810220094
Energy: 0.3802446851612482
Energy: 0.4124329481031804
Energy: 0.3689104207401587
Energy: 0.3941639655125786
Energy: 0.3689104207450557
Energy: 0.3941639655122521
Energy: 0.3689104207430969
Energy: 0.3941639655132315
Energy: 0.4653149890493657
Energy: 0.48170089633392144
Energy: 0.4653149890477334
Energy: 0.481700896333595
Energy: 0.46531498904871277
Energy: 0.4817008963365332
Energy: 0.3879924500625348
Energy: 0.38277342840978634
Energy: 0.3879924500625348
Energy: 0.3827734284094598
Energy: 0.3879924500625348
Energy: 0.3827734284094598
Energy: 0.3618880284021948
Energy: 0.5251174879209389
Energy: 0.36188802840056244
Energy: 0.525117487920286
Energy: 0.3618880284008889
Energy: 0.525117487920286
Energy: 0.4656813099557423
Energy: 0.3712991313374869
Energy: 0.46568130995476287
Energy: 0.3712991313371603
Energy: 0.46568130995476287
Energy: 0.3712991313374869
Energy: 0.361964066395928
Energy: 0.525046503203733
Energy: 0.3619640663962545
Energy: 0.525046503203733
Energy: 0.361964066395928
Energy: 0.5250465032040594
Energy: 0.3881043278614065
Energy: 0.3827786593495407
Energy: 0.3881043278607535
Energy: 0.3827786593495407
Energy: 0.38810432786107996
Energy: 0.3827786593492142
Energy: 0.4653155009361796
Energy: 0.48163045627134726
Energy: 0.46531550093748547
Energy: 0.481630456269062
Energy: 0.4653155009368325
Energy: 0.48163045626808254
Energy: 0.36890221042261906
Energy: 0.39723815322359873
Energy: 0.3689022104252309
Energy: 0.39723815322523115
Energy: 0.36890221042261906
Energy: 0.3972381532281694
Energy: 0.38013665050897033
Energy: 0.4123976192819448
Energy: 0.38013665050897033
Energy: 0.41239761928227125
Energy: 0.38013665050929685
Energy: 0.41239761928161833
Energy: 0.41471967320020914
Energy: 0.39704755617593535
Energy: 0.4147196731985768
Energy: 0.39704755617593535
Energy: 0.4147196731985768
Energy: 0.3970475561762618
Energy: 0.410228708046439
Energy: 0.3772953519230724
Energy: 0.41022870804774486
Energy: 0.3772953519237253
Energy: 0.41022870804611256
Energy: 0.37729535192339886
Energy: 0.35700580128222226
Energy: 0.40087932112540736
Energy: 0.35700580128287523
Energy: 0.4008793211241015
Energy: 0.3570058012838546
Energy: 0.40087932112344854
Energy: 0.40023331581786764
Energy: 0.38532023101395013
Energy: 0.4002333158188471
Energy: 0.38532023101395013
Energy: 0.40023331581688826
Energy: 0.38532023101395013
Energy: 0.39931566387652045
Energy: 0.4834733239725184
Energy: 0.3993156638771734
Energy: 0.4834733239679478
Energy: 0.3993156638768469
Energy: 0.48347332396664194
Energy: 0.510803311497163
Energy: 0.3802055342250551
Energy: 0.5108033114687894
Energy: 0.38020553422538156
Energy: 0.5108033114805425
Energy: 0.3802055342250551
Energy: 0.3592379514809194
Energy: 0.4405184327720192
Energy: 0.3592379514796135
Energy: 0.4405184327716927
Energy: 0.35923795148059295
Energy: 0.4405184327723457
Energy: 0.3925182890749323
Energy: 0.43660102015095725
Energy: 0.39251828907525876
Energy: 0.4366010201503044
Energy: 0.3925182890755853
Energy: 0.43660102015095725
Energy: 0.40421656723755695
Energy: 0.38330631488253036
Energy: 0.4042165672365775
Energy: 0.38330631488122446
Energy: 0.40421656723690397
Energy: 0.3833063148815509
Energy: 0.39489842043827134
Energy: 0.3800001648832456
Energy: 0.39489842043859785
Energy: 0.3800001648832456
Energy: 0.39489842043859785
Energy: 0.38000016488291916
Energy: 0.39997300375808437
Energy: 0.37825121373110837
Energy: 0.39997300375710493
Energy: 0.37825121373110837
Energy: 0.3999730037577579
Energy: 0.3782512137314349
Energy: 0.36245750280688066
Energy: 0.5728220023794903
Energy: 0.36245750280622774
Energy: 0.5728220023801432
Energy: 0.36245750280557476
Energy: 0.5728220023798168
Energy: 0.5644812360146604
Energy: 0.36397452719004303
Energy: 0.5644812360149869
Energy: 0.36397452719004303
Energy: 0.5644812360146604
Energy: 0.3639745271903695
Energy: 0.41407223501530394
Energy: 0.3985814324886555
Energy: 0.4140722350139981
Energy: 0.3985814324912673
Energy: 0.4140722350143246
Energy: 0.39858143249028793
Energy: 0.5642368170291682
Energy: 0.3709460785262875
Energy: 0.5642368170294946
Energy: 0.37094607852465517
Energy: 0.5642368170288417
Energy: 0.3709460785240022
Energy: 0.36256278032713196
Energy: 0.5727611722811805
Energy: 0.3625627803261525
Energy: 0.5727611722811805
Energy: 0.3625627803268055
Energy: 0.5727611722795483
Energy: 0.3998688006726004
Energy: 0.3783896864880552
Energy: 0.39986880067227387
Energy: 0.37838968648772875
Energy: 0.39986880067162095
Energy: 0.3783896864880552
Energy: 0.39495385562055846
Energy: 0.3806253519222715
Energy: 0.3949538556199055
Energy: 0.380625351921945
Energy: 0.3949538556208849
Energy: 0.380625351921945

minimum gb energy = 0.35700580128222226 eV
minimum distance =  2.64667216885299 Angstroms
sigma value = 57


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

Energy: 0.1386304666206819
Energy: 0.1441042935400784
Energy: 0.1386304666214251
Energy: 0.1441042935400784
Energy: 0.1386304666206819
Energy: 0.1441042935400784
Energy: 0.23810768452462883
Energy: 0.22688544876689243
Energy: 0.238107684525372
Energy: 0.22688544876689243
Energy: 0.238107684525372
Energy: 0.22688544876689243
Energy: 0.18015699391400733
Energy: 0.20890328295887828
Energy: 0.1801569939132641
Energy: 0.20890328295887828
Energy: 0.1801569939132641
Energy: 0.20890328295887828
Energy: 0.14540974569606474
Energy: 0.13878217992036845
Energy: 0.1454097456968079
Energy: 0.13878217992036845
Energy: 0.1454097456968079
Energy: 0.13878217992036845
Energy: 0.23734775283256132
Energy: 0.23689147331811322
Energy: 0.23734775283256132
Energy: 0.23689147331811322
Energy: 0.23734775283181817
Energy: 0.23689147331811322
Energy: 0.14059859015771559
Energy: 0.17995016828914426
Energy: 0.14059859015845874
Energy: 0.1799501682884011
Energy: 0.14059859015845874
Energy: 0.1799501682884011
Energy: 0.13886398539772773
Energy: 0.18001348196542802
Energy: 0.13886398539698455
Energy: 0.18001348196617117
Energy: 0.1388639853984709
Energy: 0.18001348196617117
Energy: 0.23730383821386966
Energy: 0.2368604824415133
Energy: 0.23730383821386966
Energy: 0.2368604824415133
Energy: 0.23730383821386966
Energy: 0.2368604824415133
Energy: 0.1453995725442808
Energy: 0.13880076069568256
Energy: 0.14539957254205124
Energy: 0.1388007606949394
Energy: 0.14539957254279445
Energy: 0.13880076069568256
Energy: 0.1801429525677432
Energy: 0.2086597629540468
Energy: 0.1801429525677432
Energy: 0.2086597629540468
Energy: 0.1801429525677432
Energy: 0.20865976295330366
Energy: 0.23800618251977476
Energy: 0.22685515749265533
Energy: 0.23800618252051792
Energy: 0.22685515749339852
Energy: 0.23800618252051792
Energy: 0.22685515749265533
Energy: 0.1386304666206819
Energy: 0.1441042935400784
Energy: 0.1386304666206819
Energy: 0.1441042935400784
Energy: 0.1386304666206819
Energy: 0.1441042935400784
Energy: 0.23810768452462883
Energy: 0.22688544876689243
Energy: 0.23810768452462883
Energy: 0.22688544876689243
Energy: 0.23810768452462883
Energy: 0.22688544876689243
Energy: 0.1801569939132641
Energy: 0.20890328295813512
Energy: 0.1801569939132641
Energy: 0.20890328295813512
Energy: 0.1801569939132641
Energy: 0.20890328295813512
Energy: 0.14540974569606474
Energy: 0.13878217992036845
Energy: 0.1454097456968079
Energy: 0.1387821799188821
Energy: 0.1454097456975511
Energy: 0.13878217992036845
Energy: 0.2373477528333045
Energy: 0.23689147331811322
Energy: 0.23734775283256132
Energy: 0.23689147331811322
Energy: 0.23734775283256132
Energy: 0.23689147331811322
Energy: 0.14059859015845874
Energy: 0.1799501682884011
Energy: 0.14059859015845874
Energy: 0.1799501682884011
Energy: 0.14059859015771559
Energy: 0.1799501682884011
Energy: 0.13886398539698455
Energy: 0.18001348196542802
Energy: 0.13886398539698455
Energy: 0.18001348196542802
Energy: 0.13886398539772773
Energy: 0.18001348196617117
Energy: 0.23730383821386966
Energy: 0.2368604824415133
Energy: 0.23730383821386966
Energy: 0.2368604824415133
Energy: 0.23730383821386966
Energy: 0.2368604824415133

minimum gb energy = 0.1386304666206819 eV
minimum distance =  2.76882729461766 Angstroms
sigma value = 11


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

Energy: 0.3656637684267257
Energy: 0.37548653243383956
Energy: 0.3656637684250925
Energy: 0.375486532434384
Energy: 0.3656637684267257
Energy: 0.37548653243383956
Energy: 0.4111553823176408
Energy: 0.34866810395872944
Energy: 0.4111553823176408
Energy: 0.34866810395872944
Energy: 0.41115538231818516
Energy: 0.34866810395872944
Energy: 0.3977687380992669
Energy: 0.5348594303231895
Energy: 0.3977687380992669
Energy: 0.5348594303231895
Energy: 0.3977687380987225
Energy: 0.534859430322645
Energy: 0.412901340445932
Energy: 0.33380725229153546
Energy: 0.412901340445932
Energy: 0.33380725229153546
Energy: 0.4129013404464764
Energy: 0.33380725229153546
Energy: 0.3623062187018137
Energy: 0.3099717477036032
Energy: 0.3623062187018137
Energy: 0.3099717477036032
Energy: 0.3623062187012693
Energy: 0.30997174770414754
Energy: 0.3831188899134969
Energy: 0.39112445751433395
Energy: 0.3831188899140413
Energy: 0.39112445751433395
Energy: 0.3831188899134969
Energy: 0.3911244575137895
Energy: 0.3167012462729
Energy: 0.4504873603985268
Energy: 0.31670124627235563
Energy: 0.4504873603985268
Energy: 0.3167012462734444
Energy: 0.4504873603979824
Energy: 0.3831914387556333
Energy: 0.29136646603921723
Energy: 0.3831914387556333
Energy: 0.29136646603921723
Energy: 0.3831914387556333
Energy: 0.29136646603921723
Energy: 0.38187850061597134
Energy: 0.28902416463610914
Energy: 0.3818785006170601
Energy: 0.28902416463610914
Energy: 0.38187850061597134
Energy: 0.28902416463610914
Energy: 0.30754348251501207
Energy: 0.4615843317267839
Energy: 0.30754348251501207
Energy: 0.4615843317273282
Energy: 0.30754348251501207
Energy: 0.4615843317267839
Energy: 0.49493703094221264
Energy: 0.4540019595444662
Energy: 0.4949370309427571
Energy: 0.4540019595444662
Energy: 0.49493703094221264
Energy: 0.4540019595444662
Energy: 0.35025140948697675
Energy: 0.324124888179411
Energy: 0.35025140948697675
Energy: 0.32412488817886653
Energy: 0.35025140948752115
Energy: 0.32412488817886653
Energy: 0.3918853889173345
Energy: 0.3354026355350381
Energy: 0.39188538891679003
Energy: 0.3354026355355824
Energy: 0.39188538891624564
Energy: 0.3354026355355824
Energy: 0.4057885610146689
Energy: 0.517058851123331
Energy: 0.4057885610152134
Energy: 0.5170588511238755
Energy: 0.4057885610157577
Energy: 0.5170588511238755
Energy: 0.4855606308411139
Energy: 0.3503586466140952
Energy: 0.48556063084002515
Energy: 0.3503586466146396
Energy: 0.4855606308411139
Energy: 0.3503586466146396
Energy: 0.36593339822394433
Energy: 0.37632267533490515
Energy: 0.36593339822394433
Energy: 0.37632267533544955
Energy: 0.36593339822394433
Energy: 0.37632267533599395
Energy: 0.3368136122989293
Energy: 0.34672344946505196
Energy: 0.3368136122983849
Energy: 0.34672344946505196
Energy: 0.33681361229947365
Energy: 0.34672344946505196
Energy: 0.4572402879623169
Energy: 0.5271498177579783
Energy: 0.45724028796177246
Energy: 0.5271498177574339
Energy: 0.45724028796177246
Energy: 0.5271498177574339
Energy: 0.41374939622833906
Energy: 0.3334738581488101
Energy: 0.4137493962277947
Energy: 0.3334738581498988
Energy: 0.41374939622833906
Energy: 0.3334738581504432
Energy: 0.35557235123758135
Energy: 0.3512803576100003
Energy: 0.35557235123758135
Energy: 0.3512803576089116
Energy: 0.35557235123703695
Energy: 0.351280357609456
Energy: 0.3047065450342915
Energy: 0.3927472613991798
Energy: 0.30470654503483585
Energy: 0.3927472613991798
Energy: 0.3047065450342915
Energy: 0.3927472613991798
Energy: 0.39037462899739656
Energy: 0.4191894004082656
Energy: 0.39037462885699337
Energy: 0.41918940040772124
Energy: 0.39037462904035397
Energy: 0.4191894004082656
Energy: 0.4129219695681962
Energy: 0.3591295082278326
Energy: 0.4129219695681962
Energy: 0.3591295082278326
Energy: 0.4129219695681962
Energy: 0.35912950822946577
Energy: 0.3818810708774812
Energy: 0.33280091482276764
Energy: 0.3818810708763924
Energy: 0.3328009148233121
Energy: 0.3818810708774812
Energy: 0.33280091482276764
Energy: 0.3046938860620668
Energy: 0.45985211845701796
Energy: 0.3046938860626112
Energy: 0.4598521184564735
Energy: 0.3046938860626112
Energy: 0.45985211845592916
Energy: 0.5615433482413917
Energy: 0.4551086290862486
Energy: 0.5615433482403028
Energy: 0.4551086290862486
Energy: 0.5615433482419361
Energy: 0.4551086290862486

minimum gb energy = 0.28902416463610914 eV
minimum distance =  2.64764448222916 Angstroms
sigma value = 41


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

Energy: 0.41460130038350423
Energy: 0.3402423482261949
Energy: 0.4146013003830752
Energy: 0.3402423482261949
Energy: 0.41460130038393334
Energy: 0.3402423482261949
Energy: 0.43212317713088155
Energy: 0.4047490206404742
Energy: 0.4321231771304525
Energy: 0.4047490206404742
Energy: 0.43212317713131065
Energy: 0.40474902064004514
Energy: 0.49093790481567984
Energy: 0.5943154388378521
Energy: 0.4909379048161089
Energy: 0.5943154388378521
Energy: 0.49093790481653804
Energy: 0.5943154388378521
Energy: 0.38259712345985114
Energy: 0.32966919227539987
Energy: 0.38259712345985114
Energy: 0.32966919227497077
Energy: 0.3825971234602802
Energy: 0.32966919227539987
Energy: 0.30136010058557283
Energy: 0.3696859310640649
Energy: 0.30136010058557283
Energy: 0.3696859310640649
Energy: 0.3013601005851438
Energy: 0.3696859310640649
Energy: 0.42591626633363333
Energy: 0.4858137916733706
Energy: 0.42591626633320423
Energy: 0.4858137916733706
Energy: 0.4259162663340624
Energy: 0.4858137916733706
Energy: 0.34640198282541007
Energy: 0.5031578031512575
Energy: 0.34640198282541007
Energy: 0.5031578031508285
Energy: 0.3464019828241229
Energy: 0.5031578031512575
Energy: 0.338365994437884
Energy: 0.3296241123024924
Energy: 0.338365994437884
Energy: 0.3296241123024924
Energy: 0.33836599443831306
Energy: 0.3296241123024924
Energy: 0.31129772257557325
Energy: 0.36408669807504
Energy: 0.31129772257557325
Energy: 0.36408669807504
Energy: 0.31129772257557325
Energy: 0.36408669807504
Energy: 0.38867185992627107
Energy: 0.5108988188557996
Energy: 0.38867185992627107
Energy: 0.5108988188562286
Energy: 0.38867185992584197
Energy: 0.5108988188562286
Energy: 0.39235450952298445
Energy: 0.5107232107723513
Energy: 0.3923545095216972
Energy: 0.5107232107727804
Energy: 0.3923545095221263
Energy: 0.5107232107727804
Energy: 0.30966237875441655
Energy: 0.40038686311896343
Energy: 0.30966237875441655
Energy: 0.40038686311896343
Energy: 0.3096623787539874
Energy: 0.40038686311896343
Energy: 0.33296325243384933
Energy: 0.3344503985670561
Energy: 0.3329632524342784
Energy: 0.3344503985670561
Energy: 0.33296325243342023
Energy: 0.3344503985670561
Energy: 0.3100719554777693
Energy: 0.4755226612397585
Energy: 0.3100719554781984
Energy: 0.47552266124018766
Energy: 0.31007195547734023
Energy: 0.47552266124147485
Energy: 0.5109586785150854
Energy: 0.48485966423642124
Energy: 0.5109586785155144
Energy: 0.4848596642377085
Energy: 0.5109586785150854
Energy: 0.4848596642368503
Energy: 0.307691767156892
Energy: 0.3902076738061063
Energy: 0.307691767156892
Energy: 0.3902076738061063
Energy: 0.30769176715775015
Energy: 0.39020767380653526
Energy: 0.3382117445079008
Energy: 0.334481381042317
Energy: 0.3382117445079008
Energy: 0.334481381042317
Energy: 0.3382117445079008
Energy: 0.334481381042317
Energy: 0.4108904631879998
Energy: 0.5957759797983389
Energy: 0.410890463188858
Energy: 0.5957759797983389
Energy: 0.4108904631884289
Energy: 0.5957759797983389
Energy: 0.46162101329865474
Energy: 0.40567202864821506
Energy: 0.4616210132982257
Energy: 0.40567202864821506
Energy: 0.4616210132973676
Energy: 0.40567202864821506
Energy: 0.4141802723109748
Energy: 0.4438600858052664
Energy: 0.4141802723109748
Energy: 0.4438600858052664
Energy: 0.4141802723105457
Energy: 0.4438600858056955
Energy: 0.31826801042830133
Energy: 0.40539635240490773
Energy: 0.3182680104274432
Energy: 0.40539635240490773
Energy: 0.3182680104274432
Energy: 0.40539635240447863
Energy: 0.49016534782843385
Energy: 0.603074672021963
Energy: 0.49016534782800475
Energy: 0.6030746720223921
Energy: 0.49016534782843385
Energy: 0.603074672021963
Energy: 0.3824837595962519
Energy: 0.33168433358721705
Energy: 0.3824837595962519
Energy: 0.33168433358721705
Energy: 0.382483759596681
Energy: 0.33168433358721705
Energy: 0.307768937880773
Energy: 0.4546409499199555
Energy: 0.3077689378816311
Energy: 0.4546409499199555
Energy: 0.3077689378816311
Energy: 0.4546409499199555
Energy: 0.30988627181480555
Energy: 0.44664583524584506
Energy: 0.3098862718152346
Energy: 0.44664583524584506
Energy: 0.3098862718152346
Energy: 0.44664583524584506
Energy: 0.3463880159394001
Energy: 0.35647307098561887
Energy: 0.3463880159398292
Energy: 0.35647307098862235
Energy: 0.3463880159398292
Energy: 0.356473070986477
Energy: 0.3395058809463537
Energy: 0.3315569483987835
Energy: 0.3395058809459246
Energy: 0.3315569483983544
Energy: 0.3395058809459246
Energy: 0.3315569483987835
Energy: 0.3478318776957299
Energy: 0.4367037124342886
Energy: 0.3478318776957299
Energy: 0.4367037124338595
Energy: 0.3478318776957299
Energy: 0.4367037124342886
Energy: 0.38822531220091105
Energy: 0.41393581029537946
Energy: 0.38822531220091105
Energy: 0.41393581029537946
Energy: 0.38822531220091105
Energy: 0.4139358102958085
Energy: 0.5125104848472802
Energy: 0.3248222382380071
Energy: 0.5125104848472802
Energy: 0.32482223823929435
Energy: 0.5125104848472802
Energy: 0.3248222382384362
Energy: 0.3111948447990159
Energy: 0.3813678345914844
Energy: 0.3111948447994449
Energy: 0.3813678345914844
Energy: 0.3111948447994449
Energy: 0.3813678345910553
Energy: 0.3341772563391797
Energy: 0.332989791765932
Energy: 0.33417725634003786
Energy: 0.3329897917663611
Energy: 0.3341772563396088
Energy: 0.3329897917663611
Energy: 0.3098667186437537
Energy: 0.3902688725389482
Energy: 0.30986671864332466
Energy: 0.39026887254023535
Energy: 0.3098667186437537
Energy: 0.39026887253937725

minimum gb energy = 0.3013601005851438 eV
minimum distance =  2.66546122534733 Angstroms
sigma value = 33


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

Energy: 0.36523669363512407
Energy: 0.33090882283470197
Energy: 0.3652366936348229
Energy: 0.3309088228353042
Energy: 0.36523669363512407
Energy: 0.33090882283500306
Energy: 0.41061449770194114
Energy: 0.3280223752385824
Energy: 0.41061449770404906
Energy: 0.3280223752385824
Energy: 0.41061449770552727
Energy: 0.3280223752385824
Energy: 0.5475420102309739
Energy: 0.5692784264341689
Energy: 0.5475420102312751
Energy: 0.5692784264362768
Energy: 0.5475420102312751
Energy: 0.5692784264353735
Energy: 0.3775447504651891
Energy: 0.3337241278577075
Energy: 0.3775447504645868
Energy: 0.3337241278577075
Energy: 0.37754475046880254
Energy: 0.3337241278574063
Energy: 0.3395551307996417
Energy: 0.5418382114421694
Energy: 0.3395551308005451
Energy: 0.5418382114421694
Energy: 0.3395551308008462
Energy: 0.5418382114418682
Energy: 0.4857649012775734
Energy: 0.3453264994255623
Energy: 0.48576490127697114
Energy: 0.34532649942526117
Energy: 0.4857649012772723
Energy: 0.34532649942495997
Energy: 0.3693148832118935
Energy: 0.4365336988027066
Energy: 0.3693148832118935
Energy: 0.4365336988027066
Energy: 0.36931488321159234
Energy: 0.43653369880300763
Energy: 0.3861464450770502
Energy: 0.4169519104516899
Energy: 0.38614644507584567
Energy: 0.4169519104516899
Energy: 0.38614644507765244
Energy: 0.4169519104516899
Energy: 0.5407084471107657
Energy: 0.38603344805174283
Energy: 0.5407084471107657
Energy: 0.38603344805174283
Energy: 0.5407084471101633
Energy: 0.38603344805174283
Energy: 0.5144190396398676
Energy: 0.34625201406211076
Energy: 0.5144190396380607
Energy: 0.3462520140624119
Energy: 0.5144190396401687
Energy: 0.34625201406211076
Energy: 0.3863056239146189
Energy: 0.3860735261853305
Energy: 0.3863056239143177
Energy: 0.38607352618593277
Energy: 0.3863056239140166
Energy: 0.3860735261856315
Energy: 0.5548524120806072
Energy: 0.3336112878515404
Energy: 0.5548524120815106
Energy: 0.3336112878515404
Energy: 0.5548524120818117
Energy: 0.3336112878512393
Energy: 0.351323874117728
Energy: 0.5417035292917732
Energy: 0.3513238741174269
Energy: 0.5417035292920744
Energy: 0.3513238741174269
Energy: 0.5417035292920744
Energy: 0.41420174346819943
Energy: 0.38588715796198814
Energy: 0.4142017434685005
Energy: 0.3858871579634938
Energy: 0.4142017434691028
Energy: 0.3858871579592781
Energy: 0.41119266458387965
Energy: 0.37088730263818903
Energy: 0.41119266457605036
Energy: 0.37088730263849023
Energy: 0.41119266457605036
Energy: 0.3708873026348767
Energy: 0.3445746532169576
Energy: 0.48466406596907324
Energy: 0.3445746532181621
Energy: 0.48466406596907324
Energy: 0.344574653217861
Energy: 0.48466406596877215
Energy: 0.545367049902861
Energy: 0.33350401022376297
Energy: 0.545367049902861
Energy: 0.33350401022376297
Energy: 0.5453670499025599
Energy: 0.33350401022346177
Energy: 0.33565894536563384
Energy: 0.37870553967734627
Energy: 0.3356589453650316
Energy: 0.37870553967734627
Energy: 0.3356589453650316
Energy: 0.37870553967764736
Energy: 0.5730935003495699
Energy: 0.5472547815546974
Energy: 0.5730935003477631
Energy: 0.5472547815546974
Energy: 0.5730935003477631
Energy: 0.5472547815549986
Energy: 0.45548867135580406
Energy: 0.38682191096416885
Energy: 0.45548867135670745
Energy: 0.3868219109638677
Energy: 0.45548867135700855
Energy: 0.3868219109638677
Energy: 0.33550658292168384
Energy: 0.36580810045141304
Energy: 0.33550658292138263
Energy: 0.3658081004520153
Energy: 0.33550658292078045
Energy: 0.36580810045141304
Energy: 0.3346081437192751
Energy: 0.4101552407839406
Energy: 0.33460814371987735
Energy: 0.4101552407836394
Energy: 0.33460814371987735
Energy: 0.4101552407833383
Energy: 0.542171911266843
Energy: 0.4579154047454043
Energy: 0.542171911266843
Energy: 0.4579154047454043
Energy: 0.5421719112671441
Energy: 0.4579154047454043
Energy: 0.33292074140420735
Energy: 0.47724403142804916
Energy: 0.33292074140390626
Energy: 0.477244031427447
Energy: 0.33292074140420735
Energy: 0.47724403142865146
Energy: 0.5387683601464623
Energy: 0.33335107766420596
Energy: 0.5387683601476669
Energy: 0.33335107766450717
Energy: 0.5387683601476669
Energy: 0.33335107766480826
Energy: 0.3470513982016634
Energy: 0.5444660533896049
Energy: 0.3470513982022656
Energy: 0.5444660533896049
Energy: 0.34705139820286784
Energy: 0.544466053389906
Energy: 0.4173430486283917
Energy: 0.36887357528580594
Energy: 0.417343048631403
Energy: 0.36887357528731163
Energy: 0.41734304862658494
Energy: 0.36887357528670933
Energy: 0.3676097393431957
Energy: 0.33534349508657046
Energy: 0.36760973934440017
Energy: 0.33534349508657046
Energy: 0.3676097393434968
Energy: 0.33534349508657046
Energy: 0.38547231857980013
Energy: 0.5416384471759231
Energy: 0.3854723185801013
Energy: 0.5416384471759231
Energy: 0.3854723185807035
Energy: 0.5416384471762242
Energy: 0.3522659443261434
Energy: 0.5748516231928262
Energy: 0.35226594432704683
Energy: 0.5748516231931274
Energy: 0.35226594432704683
Energy: 0.5748516231928262
Energy: 0.37903413079900655
Energy: 0.3396724592190807
Energy: 0.3790341307987054
Energy: 0.3396724592196829
Energy: 0.3790341307981031
Energy: 0.3396724592202852
Energy: 0.3328784865932534
Energy: 0.5504195976573181
Energy: 0.3328784865932534
Energy: 0.5504195976573181
Energy: 0.3328784865938557
Energy: 0.5504195976573181
Energy: 0.5426813572065862
Energy: 0.34502771502315815
Energy: 0.5426813572068873
Energy: 0.34502771502376045
Energy: 0.5426813572068873
Energy: 0.34502771502315815
Energy: 0.3852189271806202
Energy: 0.4119322899875647
Energy: 0.3852189271809213
Energy: 0.41193228998726356
Energy: 0.38521892717881345
Energy: 0.41193228998726356
Energy: 0.38498562541642095
Energy: 0.41189074919119306
Energy: 0.3849856254188026
Energy: 0.41189074919540886
Energy: 0.38498562541850145
Energy: 0.4118907491881818
Energy: 0.5423962712184961
Energy: 0.3449022138845123
Energy: 0.5423962712184961
Energy: 0.34490221388511455
Energy: 0.5423962712181951
Energy: 0.34490221388511455
Energy: 0.332801187261235
Energy: 0.550267148893545
Energy: 0.33280118726063274
Energy: 0.5502671488941473
Energy: 0.332801187261235
Energy: 0.5502671488938462
Energy: 0.37895527931537365
Energy: 0.3398997531084015
Energy: 0.37895527931416917
Energy: 0.3398997531087026
Energy: 0.37895527931447026
Energy: 0.3398997531084015
Energy: 0.35231406293818235
Energy: 0.5749192007370728
Energy: 0.3523140629387846
Energy: 0.5749192007379762
Energy: 0.35231406293818235
Energy: 0.5749192007358682
Energy: 0.3853193248727887
Energy: 0.5417372846539074
Energy: 0.3853193248727887
Energy: 0.5417372846536063
Energy: 0.3853193248727887
Energy: 0.5417372846539074
Energy: 0.36745381931547316
Energy: 0.335432955593379
Energy: 0.36745381931547316
Energy: 0.3354329555930779
Energy: 0.36745381931607535
Energy: 0.335432955593379
Energy: 0.4172249407307235
Energy: 0.368955109322491
Energy: 0.4172249407304224
Energy: 0.36895510931917863
Energy: 0.41722494072982014
Energy: 0.3689551093236955
Energy: 0.3470681166188241
Energy: 0.5447388662369035
Energy: 0.34706811661942627
Energy: 0.5447388662366023
Energy: 0.3470681166197275
Energy: 0.5447388662366023
Energy: 0.5387042426406105
Energy: 0.33328254337882446
Energy: 0.5387042426406105
Energy: 0.33328254337912555
Energy: 0.5387042426403094
Energy: 0.33328254337882446
Energy: 0.33284603765679033
Energy: 0.4773252299626851
Energy: 0.3328460376555858
Energy: 0.47732522996298626
Energy: 0.3328460376570914
Energy: 0.4773252299626851
Energy: 0.542691998267802
Energy: 0.45845445458625966
Energy: 0.5426919982675009
Energy: 0.4584544545865608
Energy: 0.5426919982687053
Energy: 0.4584544545865608
Energy: 0.33466996400691734
Energy: 0.41000867451385736
Energy: 0.33466996400661614
Energy: 0.4100086745099427
Energy: 0.3346699640060139
Energy: 0.41000867451385736

minimum gb energy = 0.3280223752385824 eV
minimum distance =  2.65543134430642 Angstroms
sigma value = 67


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

Energy: 0.35191506603717054
Energy: 0.34136025932281927
Energy: 0.35191506603717054
Energy: 0.3413602593226134
Energy: 0.3519150660367589
Energy: 0.3413602593226134
Energy: 0.3353998596194326
Energy: 0.3361494465974917
Energy: 0.3353998596194326
Energy: 0.3361494465974917
Energy: 0.3353998596194326
Energy: 0.3361494465973087
Energy: 0.4820530963186431
Energy: 0.4863211625747094
Energy: 0.48205309631843735
Energy: 0.48632116257450364
Energy: 0.4820530963186431
Energy: 0.48632116257450364
Energy: 0.3352698558373457
Energy: 0.3361463253284568
Energy: 0.3352698558373457
Energy: 0.33614632532825095
Energy: 0.33526985583755153
Energy: 0.33614632532825095
Energy: 0.35191506603797096
Energy: 0.34136025932240754
Energy: 0.35191506603817685
Energy: 0.3413602593226134
Energy: 0.35191506603817685
Energy: 0.34136025932220176
Energy: 0.335399859620233
Energy: 0.336149446596897
Energy: 0.33539985962043883
Energy: 0.336149446596897
Energy: 0.33539985962043883
Energy: 0.336149446596897
Energy: 0.48205309631843735
Energy: 0.4863211625747094
Energy: 0.4820530963182315
Energy: 0.48632116257450364
Energy: 0.4820530963186431
Energy: 0.4863211625747094

minimum gb energy = 0.3352698558373457 eV
minimum distance =  2.66544413873619 Angstroms
sigma value = 3


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

Energy: 0.5088306966672821
Energy: 0.40900348204751685
Energy: 0.5088306966672821
Energy: 0.4090034820477658
Energy: 0.5088306966678297
Energy: 0.4090034820477658
Energy: 0.45311588015991666
Energy: 0.4133354190788581
Energy: 0.4531158801585224
Energy: 0.41333541907801163
Energy: 0.4531158801596179
Energy: 0.41333541907910715
Energy: 0.422094890570684
Energy: 0.5151265892639164
Energy: 0.42209489057098276
Energy: 0.5151265892633687
Energy: 0.422094890570435
Energy: 0.5151265892636178
Energy: 0.47357681301462434
Energy: 0.39229602072856407
Energy: 0.4735768130099437
Energy: 0.3922960207280162
Energy: 0.4735768130151721
Energy: 0.39229602072826525
Energy: 0.44162408755827465
Energy: 0.45326301156834037
Energy: 0.44162408755966887
Energy: 0.45326301156858945
Energy: 0.4416240875588224
Energy: 0.45326301156694615
Energy: 0.4167944301634047
Energy: 0.44456207080029003
Energy: 0.416794430162857
Energy: 0.4445620708008377
Energy: 0.416794430164799
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Energy: 0.5109040340721572
Energy: 0.4793245485942526
Energy: 0.5109040340721572
Energy: 0.47932454859614476
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Energy: 0.47932454859614476
Energy: 0.4448577247185593
Energy: 0.4106708110378337
Energy: 0.4448577247223935
Energy: 0.41067081103808273
Energy: 0.4448577247194058
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Energy: 0.41284967789197835
Energy: 0.4328319923272759
Energy: 0.4128496778894886
Energy: 0.4328319923286203
Energy: 0.41284967789088284
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Energy: 0.44891990009053073
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Energy: 0.4489199000899829
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Energy: 0.4489199000916262
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Energy: 0.5074475543808541
Energy: 0.46195686368134936
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Energy: 0.41254189877337905
Energy: 0.4204112980735974
Energy: 0.41254189877258235
Energy: 0.42041129807304956
Energy: 0.4125418987739268
Energy: 0.43256922579865775
Energy: 0.41457987573031374
Energy: 0.44123154600990167
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Energy: 0.41457987573001504
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Energy: 0.4409599839764084
Energy: 0.4338831083966721
Energy: 0.4409599839764084
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Energy: 0.440959983975014
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Energy: 0.42918858718928576
Energy: 0.47723038666216483
Energy: 0.4291885871876426
Energy: 0.47723038673884854
Energy: 0.42918858718983355
Energy: 0.45527852372224525
Energy: 0.41969070974600375
Energy: 0.455278523722793
Energy: 0.41969070974600375
Energy: 0.4552785237241872
Energy: 0.41969070974625283
Energy: 0.461656755542761
Energy: 0.4374720671554324
Energy: 0.46165675554355773
Energy: 0.43747206715568143
Energy: 0.46165675554221325
Energy: 0.4374720671551337
Energy: 0.40372952539183254
Energy: 0.4885234278117886
Energy: 0.4037295253921313
Energy: 0.4885234278145273
Energy: 0.4037295253921313
Energy: 0.4885234278358892
Energy: 0.4649416898668969
Energy: 0.5154435962397833
Energy: 0.46494168987839946
Energy: 0.5154435962394844
Energy: 0.46494168985594203
Energy: 0.5154435962394844
Energy: 0.4114025965153386
Energy: 0.4343753759241261
Energy: 0.41140259651314764
Energy: 0.4343753759235783
Energy: 0.4114025965136954
Energy: 0.45022755920949414
Energy: 0.43325184185824733
Energy: 0.5330898911957935
Energy: 0.4332518418574008
Energy: 0.5330898911963413
Energy: 0.43325184185769955
Energy: 0.5330898911960424
Energy: 0.3912334394809378
Energy: 0.5019339251079581
Energy: 0.3912334394924404
Energy: 0.5019339251082072
Energy: 0.3912334394904983
Energy: 0.5019339251071117
Energy: 0.5214663455432511
Energy: 0.44242200669944765
Energy: 0.5214663455435001
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Energy: 0.4424220066999953
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Energy: 0.4419859498026615
Energy: 0.5329943403132843
Energy: 0.4218239922471274
Energy: 0.46156308401501095
Energy: 0.42182399224682865
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Energy: 0.42182399227391687
Energy: 0.4615630840164052
Energy: 0.46888807610820427
Energy: 0.45366494110191474
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Energy: 0.453664941101616
Energy: 0.4688880760844024
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Energy: 0.43269434662194356
Energy: 0.41860434926459095
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Energy: 0.43330516823749654
Energy: 0.4326943466216945
Energy: 0.4333051682364011
Energy: 0.4571030239403642
Energy: 0.4374101593045195
Energy: 0.45710302393901975
Energy: 0.4374101593042207
Energy: 0.45710302394011526
Energy: 0.4374101593039718
Energy: 0.5074573920245558
Energy: 0.41611132048351784
Energy: 0.5074573920160409
Energy: 0.4161113204832688
Energy: 0.5074573920240081
Energy: 0.41611132048351784
Energy: 0.4882992167655748
Energy: 0.4626764509788828
Energy: 0.4882992167661225
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Energy: 0.48829921676447935
Energy: 0.4626764509783351
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Energy: 0.40755360143484953
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Energy: 0.42944786370504695
Energy: 0.44430187379970026
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Energy: 0.4443018737989035
Energy: 0.42944786370584376
Energy: 0.4820223567019603
Energy: 0.4446635525363507
Energy: 0.48202235669952037
Energy: 0.44466355253610174
Energy: 0.4820223567017113
Energy: 0.4446635525363507
Energy: 0.46032395011975474
Energy: 0.4411681962073363
Energy: 0.46032395012060123
Energy: 0.4411681962062408
Energy: 0.4603239501200535
Energy: 0.4411681962054442
Energy: 0.43368555044462914
Energy: 0.5396491670823074
Energy: 0.43368555044353363
Energy: 0.5396491670825564
Energy: 0.4336855504454755
Energy: 0.5396491670823074
Energy: 0.4178509115212945
Energy: 0.44358591837730754
Energy: 0.4178509115204978
Energy: 0.44358591837675976
Energy: 0.4178509115218422
Energy: 0.4435859183770088
Energy: 0.5268977135264684
Energy: 0.4026535353182909
Energy: 0.5268977135273148
Energy: 0.4026535353185399
Energy: 0.5268977135275638
Energy: 0.4026535353185399
Energy: 0.4064949303846178
Energy: 0.4794126698592226
Energy: 0.40649493038407003
Energy: 0.47941266986390335
Energy: 0.4064949303846178
Energy: 0.4794126698553884
Energy: 0.44471044451903463
Energy: 0.5388608308289654
Energy: 0.4447104445203791
Energy: 0.5388608308284176
Energy: 0.4447104445220223
Energy: 0.5388608308284176
Energy: 0.47215019983215667
Energy: 0.4431302040942715
Energy: 0.47215019983136
Energy: 0.44313020409457027
Energy: 0.47215019983300316
Energy: 0.4431302040942715
Energy: 0.5246449842921218
Energy: 0.3894740303427957
Energy: 0.5246449842907275
Energy: 0.3894740303427957
Energy: 0.5246449842907275
Energy: 0.3894740303433434
Energy: 0.4051276654826073
Energy: 0.5488533192097707
Energy: 0.4051276654829061
Energy: 0.5488533192097707
Energy: 0.4051276654820596
Energy: 0.548853319209472
Energy: 0.4743708694749856
Energy: 0.4072218109986153
Energy: 0.47437086947413903
Energy: 0.40722181099806753
Energy: 0.47437086947279455
Energy: 0.4072218109983663
Energy: 0.5208483645107166
Energy: 0.42720998676287
Energy: 0.5208483645107166
Energy: 0.4272099867623223
Energy: 0.520848364511563
Energy: 0.4272099867620733
Energy: 0.4980433629990172
Energy: 0.4126720242684391
Energy: 0.4980433629990172
Energy: 0.41267202426759253
Energy: 0.4980433629995649
Energy: 0.41267202426759253
Energy: 0.427052997884383
Energy: 0.44972372818788703
Energy: 0.42705299788547857
Energy: 0.4497237281873393
Energy: 0.42705299788328754
Energy: 0.4497237281873393
Energy: 0.42053839230086665
Energy: 0.40569203199743314
Energy: 0.4205383923030576
Energy: 0.40569203199773196
Energy: 0.4205383923022111
Energy: 0.40569203199773196
Energy: 0.4724213732131849
Energy: 0.45749735370939654
Energy: 0.4724213732147784
Energy: 0.45749735370939654
Energy: 0.4724213732131849
Energy: 0.4574973537096455
Energy: 0.4732307268399026
Energy: 0.4807905806414148
Energy: 0.4732307268396038
Energy: 0.480790580628269
Energy: 0.4732307268399026
Energy: 0.48079058060197744
Energy: 0.439858846071126
Energy: 0.47152332434060656
Energy: 0.43985884607142484
Energy: 0.47152332434140326
Energy: 0.4398588460719725
Energy: 0.4715233243403078

minimum gb energy = 0.3894740303427957 eV
minimum distance =  2.58212156201248 Angstroms
sigma value = 81


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

Energy: 0.5922901268543813
Energy: 0.42953252506115147
Energy: 0.5700836848981881
Energy: 0.42953252505513734
Energy: 0.5922901268562607
Energy: 0.42953252505513734
Energy: 0.4548544380178924
Energy: 0.47023939880546817
Energy: 0.45485443801902004
Energy: 0.4702393988047163
Energy: 0.45485443801864406
Energy: 0.4702393988047163
Energy: 0.4640289238458688
Energy: 0.48903976340590355
Energy: 0.4487744049245061
Energy: 0.48903976340891064
Energy: 0.4640289238462447
Energy: 0.48903976340891064
Energy: 0.39511665582946887
Energy: 0.4267971885069886
Energy: 0.39511665583134825
Energy: 0.4267971885025122
Energy: 0.39511665583285177
Energy: 0.4267971885002569
Energy: 0.44468685224042076
Energy: 0.40595413191350566
Energy: 0.44468685224230026
Energy: 0.4059541319131298
Energy: 0.444686852242676
Energy: 0.4059541319131298
Energy: 0.4074932438212284
Energy: 0.44093611790209275
Energy: 0.40749324382047664
Energy: 0.44093611790697923
Energy: 0.4074932438170937
Energy: 0.44093611790660336
Energy: 0.4679751144599956
Energy: 0.43917634730988026
Energy: 0.467731026122301
Energy: 0.439176347310632
Energy: 0.46797511445623674
Energy: 0.43917634731100785
Energy: 0.44499974923336516
Energy: 0.44358534400036664
Energy: 0.44501073110378153
Energy: 0.4435853439947284
Energy: 0.44499974923223756
Energy: 0.44358534399848715
Energy: 0.4697069466011027
Energy: 0.4354759154504886
Energy: 0.469706946603358
Energy: 0.43547591544785735
Energy: 0.46970694660223034
Energy: 0.4354759154474815
Energy: 0.450508428308711
Energy: 0.5639969555226028
Energy: 0.45050842830833515
Energy: 0.5639969555229785
Energy: 0.45050842830908694
Energy: 0.5639969555226028
Energy: 0.45434551084737157
Energy: 0.46188934457768444
Energy: 0.4543455108503786
Energy: 0.46188934458106745
Energy: 0.45434551084511626
Energy: 0.46188934458106745
Energy: 0.4456984956225913
Energy: 0.4318570980368077
Energy: 0.4456984956225913
Energy: 0.43185709803643185
Energy: 0.4456984956240949
Energy: 0.43185709803605593
Energy: 0.4581882541391537
Energy: 0.4461195196058603
Energy: 0.4581882541391537
Energy: 0.44611951960285323
Energy: 0.45818825413765024
Energy: 0.44611951960285323
Energy: 0.43659797839264924
Energy: 0.4675716696907613
Energy: 0.43659797839302517
Energy: 0.467571669691889
Energy: 0.43659797839377695
Energy: 0.4675716696915131
Energy: 0.4647843966945751
Energy: 0.39423733575484887
Energy: 0.46478439669758215
Energy: 0.39423733575597647
Energy: 0.4647843966987098
Energy: 0.39423733575560066
Energy: 0.44499457044020135
Energy: 0.40804193997556204
Energy: 0.44499457043832197
Energy: 0.40804193997593796
Energy: 0.44499457043719426
Energy: 0.40804193997593796
Energy: 0.5141838930912944
Energy: 0.4354755176898709
Energy: 0.5142122501227523
Energy: 0.43547551768761555
Energy: 0.5141838930909186
Energy: 0.43547551768723974
Energy: 0.4718528778455476
Energy: 0.4967723392575879
Energy: 0.47172123262913834
Energy: 0.49677233925833963
Energy: 0.4718528778466752
Energy: 0.49677233925796377
Energy: 0.48784970267226163
Energy: 0.4975335479915955
Energy: 0.4878497026707581
Energy: 0.49753354799347493
Energy: 0.48784970266850286
Energy: 0.49753354799347493
Energy: 0.42699229118989884
Energy: 0.4825446992091412
Energy: 0.42699229118726767
Energy: 0.48254469920726184
Energy: 0.42699229118877113
Energy: 0.4825446992057583
Energy: 0.4073359547571474
Energy: 0.44604162848250245
Energy: 0.40733595476015444
Energy: 0.44604162848175066
Energy: 0.4073359547597786
Energy: 0.44604162848175066
Energy: 0.46176562770224
Energy: 0.4626253908317911
Energy: 0.45980356997461536
Energy: 0.4626253908344223
Energy: 0.46176562770036045
Energy: 0.4626253908344223
Energy: 0.4645317131310873
Energy: 0.4845190143107848
Energy: 0.4364230924262488
Energy: 0.4845190143092813
Energy: 0.46453171313183916
Energy: 0.4845190143092813
Energy: 0.4473551746668723
Energy: 0.44374964923745813
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Energy: 0.44374964923745813
Energy: 0.44735517466574465
Energy: 0.4437496492370822
Energy: 0.4365025528863514
Energy: 0.4778024354944456
Energy: 0.4365025528882308
Energy: 0.47780243543396267
Energy: 0.4365025528863514
Energy: 0.47780243541779965
Energy: 0.5338810148037368
Energy: 0.5304993729927472
Energy: 0.533881014802985
Energy: 0.5304993729916195
Energy: 0.533881014802985
Energy: 0.5304993729916195
Energy: 0.4587786019130583
Energy: 0.39632372133836724
Energy: 0.45877860191155484
Energy: 0.3963237213447573
Energy: 0.4587786019123065
Energy: 0.39632372133949495
Energy: 0.4368123946242662
Energy: 0.43667838789493124
Energy: 0.43679195833843476
Energy: 0.4366783878968106
Energy: 0.436812394387938
Energy: 0.4366783878968106
Energy: 0.46099028428537175
Energy: 0.4560523974122027
Energy: 0.46104091037803896
Energy: 0.4560523974148339
Energy: 0.46099028428499583
Energy: 0.4560523974148339
Energy: 0.49125890210865103
Energy: 0.43329337840416904
Energy: 0.4912589021063957
Energy: 0.4332933784045449
Energy: 0.4912589021075233
Energy: 0.43329337840416904
Energy: 0.4289265658576551
Energy: 0.4645487130802066
Energy: 0.4289265658576551
Energy: 0.46454871307983076
Energy: 0.4289265658599104
Energy: 0.4645487130787032
Energy: 0.4053610915289703
Energy: 0.4438640375116257
Energy: 0.40536109153047384
Energy: 0.44386403751312925
Energy: 0.40536109152934613
Energy: 0.443864037513881
Energy: 0.43765430109713643
Energy: 0.4086397548966959
Energy: 0.4376543010967605
Energy: 0.4086397548978236
Energy: 0.43765430109751235
Energy: 0.4086397548981994
Energy: 0.43771302834884607
Energy: 0.48409865244805694
Energy: 0.43771302834884607
Energy: 0.48409865245031225
Energy: 0.43771302835072556
Energy: 0.4840986524506881
Energy: 0.4386436590471474
Energy: 0.5847265902042555
Energy: 0.43864596556003504
Energy: 0.584726590202752
Energy: 0.4386436590463956
Energy: 0.584726590202752
Energy: 0.4363976568284106
Energy: 0.42933082652370186
Energy: 0.4363976568276589
Energy: 0.42933082652445365
Energy: 0.436397656827283
Energy: 0.4293308265252054
Energy: 0.4619717408738898
Energy: 0.39299572737980143
Energy: 0.4619717408750175
Energy: 0.39299572737867383
Energy: 0.4619717408738898
Energy: 0.3929957273794255
Energy: 0.47079415309694034
Energy: 0.45564295902111585
Energy: 0.47079415309806794
Energy: 0.4556429590218677
Energy: 0.4707941530958127
Energy: 0.45564295902224355

minimum gb energy = 0.39299572737867383 eV
minimum distance =  2.55606892555121 Angstroms
sigma value = 43


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

Energy: 0.5040603774174722
Energy: 0.3990951138151228
Energy: 0.5040603774165487
Energy: 0.39909511381558455
Energy: 0.5040603774170104
Energy: 0.3990951138151228
Energy: 0.465848080907239
Energy: 0.37355939652334363
Energy: 0.4658480809067773
Energy: 0.37355939652334363
Energy: 0.4658480809067773
Energy: 0.37355939652380526
Energy: 0.43163070356461536
Energy: 0.4739891649184123
Energy: 0.43163070356461536
Energy: 0.4739891649184123
Energy: 0.43163070356461536
Energy: 0.4739891649184123
Energy: 0.4437298746736264
Energy: 0.39045660005443666
Energy: 0.44372987467454983
Energy: 0.3904566000558218
Energy: 0.44372987467408814
Energy: 0.39045660005489835
Energy: 0.4175562113224956
Energy: 0.40504668717906084
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Energy: 0.40504668718044595
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Energy: 0.40504668717998416
Energy: 0.4318963041831448
Energy: 0.4567196532920365
Energy: 0.4318963041836064
Energy: 0.4567196532920365
Energy: 0.4318963041831448
Energy: 0.4567196532924982
Energy: 0.41689784996517054
Energy: 0.5622156610864412
Energy: 0.4168978499665346
Energy: 0.5622156610864412
Energy: 0.4168978499665346
Energy: 0.5622156610864412
Energy: 0.463141369529736
Energy: 0.42821137472775367
Energy: 0.4631413695301977
Energy: 0.42821137472775367
Energy: 0.46314136953065943
Energy: 0.42821137472775367
Energy: 0.44864095930521175
Energy: 0.4152321464859228
Energy: 0.44864095930521175
Energy: 0.41523214648546114
Energy: 0.44864095930475006
Energy: 0.4152321464859228
Energy: 0.3968311282134882
Energy: 0.47074449298569454
Energy: 0.3968311282125648
Energy: 0.47074449298569454
Energy: 0.39683112821210315
Energy: 0.47074449298569454
Energy: 0.4638793467607505
Energy: 0.4122647824960802
Energy: 0.4638793467690612
Energy: 0.4122647824960802
Energy: 0.4638793467607505
Energy: 0.4122647824960802
Energy: 0.46387245342068084
Energy: 0.42143124638117146
Energy: 0.46387245342068084
Energy: 0.42143124638348
Energy: 0.4638724534216042
Energy: 0.4214312463807098
Energy: 0.4307085702924532
Energy: 0.40948563346191075
Energy: 0.4307085702938383
Energy: 0.409485633461449
Energy: 0.43070857029291487
Energy: 0.40948563346191075
Energy: 0.3708985037669167
Energy: 0.47609873383594964
Energy: 0.370898503766455
Energy: 0.47609873383594964
Energy: 0.370898503766455
Energy: 0.47609873383594964
Energy: 0.43595976000260317
Energy: 0.4438600713216275
Energy: 0.43595976000444997
Energy: 0.4438600713216275
Energy: 0.43595976000306486
Energy: 0.4438600713216275
Energy: 0.45941117379280455
Energy: 0.4349112499348434
Energy: 0.45941117379280455
Energy: 0.4349112499348434
Energy: 0.45941117379280455
Energy: 0.4349112499348434
Energy: 0.43022041513555853
Energy: 0.45643405391888486
Energy: 0.4302204151346351
Energy: 0.45643405391888486
Energy: 0.4302204151346351
Energy: 0.45643405391888486
Energy: 0.4801190288999799
Energy: 0.39468135790755865
Energy: 0.4801190288995182
Energy: 0.39468135790802045
Energy: 0.4801190289004416
Energy: 0.39468135790755865
Energy: 0.4815413352582147
Energy: 0.40522176739582777
Energy: 0.4815413352582147
Energy: 0.405221767395366
Energy: 0.48154133525775294
Energy: 0.405221767395366
Energy: 0.43022478712491385
Energy: 0.43002760707105353
Energy: 0.43022478712491385
Energy: 0.43002760707105353
Energy: 0.43022478712445217
Energy: 0.43002760707013005
Energy: 0.45980949445355707
Energy: 0.4450490739119364
Energy: 0.4598094944530953
Energy: 0.4450490739123982
Energy: 0.45980949445401875
Energy: 0.4450490739133215
Energy: 0.4579504298402286
Energy: 0.4306298744906039
Energy: 0.45795042983976686
Energy: 0.4306298744906039
Energy: 0.45795042983976686
Energy: 0.4306298744906039
Energy: 0.37101685327058376
Energy: 0.4354821450688418
Energy: 0.37101685327058376
Energy: 0.4354821450702269
Energy: 0.37101685327058376
Energy: 0.4354821450688418
Energy: 0.43135188067718794
Energy: 0.4746342858284093
Energy: 0.4313518806776496
Energy: 0.47463428582887096
Energy: 0.4313518806776496
Energy: 0.4746342858284093
Energy: 0.38507216527848437
Energy: 0.40924485031484326
Energy: 0.38507216527848437
Energy: 0.40924485031484326
Energy: 0.38507216527802257
Energy: 0.4092448503143815
Energy: 0.4569434237996187
Energy: 0.463919883919098
Energy: 0.4569434237991571
Energy: 0.463919883919098
Energy: 0.4569434237991571
Energy: 0.463919883919098
Energy: 0.41316332601650285
Energy: 0.42693578104626845
Energy: 0.4131633260160412
Energy: 0.4269357810481153
Energy: 0.41316332601650285
Energy: 0.4269357810467302
Energy: 0.45018326075133624
Energy: 0.41480114625283077
Energy: 0.450183260751798
Energy: 0.41480114625283077
Energy: 0.450183260751798
Energy: 0.41480114625283077
Energy: 0.38520324767221303
Energy: 0.4284909245438238
Energy: 0.3852032476726748
Energy: 0.4284909245438238
Energy: 0.3852032476726748
Energy: 0.4284909245438238
Energy: 0.4589530991320868
Energy: 0.47524541732961667
Energy: 0.4589530991320868
Energy: 0.4752454173291549
Energy: 0.4589530991320868
Energy: 0.4752454173310018
Energy: 0.4320199854676775
Energy: 0.4093920101886942
Energy: 0.4320199854676775
Energy: 0.4093920101886942
Energy: 0.4320199854672158
Energy: 0.4093920101886942

minimum gb energy = 0.370898503766455 eV
minimum distance =  2.66895658779486 Angstroms
sigma value = 57


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

Energy: 0.46945041035387985
Energy: 0.39005922653696123
Energy: 0.4694504103532821
Energy: 0.3900592265393525
Energy: 0.46945041035387985
Energy: 0.39005922653696123
Energy: 0.46510086204486334
Energy: 0.4209881259789031
Energy: 0.4651008620424721
Energy: 0.42098812597950097
Energy: 0.465100862046059
Energy: 0.42098812597950097
Energy: 0.4050432691862647
Energy: 0.44221223889130196
Energy: 0.4050432691856669
Energy: 0.44221223889130196
Energy: 0.4050432691868625
Energy: 0.44221223889130196
Energy: 0.37040098428012047
Energy: 0.3699529438556385
Energy: 0.37040098428908763
Energy: 0.36995294385444283
Energy: 0.37040098428251167
Energy: 0.36995294385504074
Energy: 0.43621044036769296
Energy: 0.39883332736936505
Energy: 0.43621044036769296
Energy: 0.39883332736936505
Energy: 0.43621044036769296
Energy: 0.3988333273699629
Energy: 0.4650769260422379
Energy: 0.4836297083854372
Energy: 0.4650769260422379
Energy: 0.48362970838603503
Energy: 0.4650769260422379
Energy: 0.48362970838603503
Energy: 0.42393221624592464
Energy: 0.530855295226628
Energy: 0.4239322162453268
Energy: 0.5308552952260303
Energy: 0.42393221624472893
Energy: 0.530855295226628
Energy: 0.4217691560867606
Energy: 0.4137636347218639
Energy: 0.42176915608735843
Energy: 0.4137636347218639
Energy: 0.4217691560867606
Energy: 0.4137636347218639
Energy: 0.46016142769871676
Energy: 0.4320367399056125
Energy: 0.4601614276981461
Energy: 0.4320367399056125
Energy: 0.46016142769871676
Energy: 0.4320367399056125
Energy: 0.3660875654246666
Energy: 0.4221768933131228
Energy: 0.36608756542406884
Energy: 0.4116665308938099
Energy: 0.3660875654246666
Energy: 0.42217689331132935
Energy: 0.4305138762068938
Energy: 0.4978430367325987
Energy: 0.4305138762051004
Energy: 0.4978430367325987
Energy: 0.430513876206296
Energy: 0.497843036732001
Energy: 0.43537988154483237
Energy: 0.48523136838477376
Energy: 0.435379881546028
Energy: 0.48523136838477376
Energy: 0.435379881546028
Energy: 0.48523136838477376
Energy: 0.42505074470509313
Energy: 0.4306686218241567
Energy: 0.42505074470628873
Energy: 0.4306686218247544
Energy: 0.425050744705691
Energy: 0.4306686218253523
Energy: 0.4220976733223134
Energy: 0.3999714452591779
Energy: 0.42209767332171566
Energy: 0.3999714452591779
Energy: 0.42209767332291126
Energy: 0.410030270019449
Energy: 0.457305809736691
Energy: 0.3908114527980982
Energy: 0.457305809736691
Energy: 0.39081145279510915
Energy: 0.45730580973609314
Energy: 0.390811452795707
Energy: 0.44837713488040654
Energy: 0.4122507815813194
Energy: 0.44837713488040654
Energy: 0.4122507815807216
Energy: 0.44837713488100434
Energy: 0.4122507815807216
Energy: 0.36572373722703133
Energy: 0.4235677874148092
Energy: 0.36572373722762913
Energy: 0.4235677874148092
Energy: 0.36572373722703133
Energy: 0.42356778741421136
Energy: 0.4290505140507921
Energy: 0.45208425472637637
Energy: 0.4290505140495965
Energy: 0.40374768074662526
Energy: 0.42905051405019434
Energy: 0.4520842547281697
Energy: 0.36516475085440026
Energy: 0.4494776863587108
Energy: 0.36516475085440026
Energy: 0.4494776863587108
Energy: 0.36516475085380246
Energy: 0.44947768635811297
Energy: 0.45028181311168675
Energy: 0.41233282777599667
Energy: 0.4502818131122846
Energy: 0.41233282777539887
Energy: 0.45028181311168675
Energy: 0.41233282777599667
Energy: 0.4293151291845434
Energy: 0.39055814864986566
Energy: 0.42931512918394565
Energy: 0.3905581486504635
Energy: 0.42931512918394565
Energy: 0.3905581486504635
Energy: 0.532470462251845
Energy: 0.4529193023730199
Energy: 0.5324704622524428
Energy: 0.4529193023724222
Energy: 0.532470462251845
Energy: 0.4529193023724222
Energy: 0.4102146393431085
Energy: 0.41499621101298406
Energy: 0.41021463934370633
Energy: 0.4149962110123862
Energy: 0.4102146393431085
Energy: 0.4149962110135818
Energy: 0.4386209914816891
Energy: 0.417222855716341
Energy: 0.4386209914816891
Energy: 0.417222855716341
Energy: 0.43862099148228684
Energy: 0.417222855716341

minimum gb energy = 0.36516475085380246 eV
minimum distance =  2.68542215594307 Angstroms
sigma value = 17


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

Energy: 0.41279506982541175
Energy: 0.35982612258710045
Energy: 0.41279506982625724
Energy: 0.35982612258710045
Energy: 0.41279506982541175
Energy: 0.35982612258710045
Energy: 0.36652687787887406
Energy: 0.42093257051904454
Energy: 0.36652687787887406
Energy: 0.42093257051904454
Energy: 0.36652687787887406
Energy: 0.42093257051904454
Energy: 0.40744948764929256
Energy: 0.3991862583084956
Energy: 0.40744948764929256
Energy: 0.3991862583084956
Energy: 0.40744948764929256
Energy: 0.3991862583084956
Energy: 0.3757456215396224
Energy: 0.48222200305142277
Energy: 0.3757456215396224
Energy: 0.48222200305142277
Energy: 0.3757456215396224
Energy: 0.48222200305142277
Energy: 0.4198509613828832
Energy: 0.3740949899590539
Energy: 0.4198509613837287
Energy: 0.3740949899582084
Energy: 0.4198509613845741
Energy: 0.3740949899582084
Energy: 0.44825872041795006
Energy: 0.40090835592193397
Energy: 0.44825872041795006
Energy: 0.4009083559210885
Energy: 0.44825872041795006
Energy: 0.40090835592193397
Energy: 0.40494991613547077
Energy: 0.4354011912623876
Energy: 0.40494991613547077
Energy: 0.4354011912615421
Energy: 0.4049499161346253
Energy: 0.4354011912623876
Energy: 0.3758238864771915
Energy: 0.4170113652573893
Energy: 0.3758238864780369
Energy: 0.41701136498696684
Energy: 0.3758238864780369
Energy: 0.4170113646421849
Energy: 0.388162801858662
Energy: 0.4209915915555859
Energy: 0.388162801858662
Energy: 0.4209915915555859
Energy: 0.38816280185950747
Energy: 0.4209915915555859
Energy: 0.45361789698473953
Energy: 0.42888253552296124
Energy: 0.45361789698473953
Energy: 0.42888253552296124
Energy: 0.453617896985585
Energy: 0.42888253552296124
Energy: 0.44611222932719113
Energy: 0.378761219805808
Energy: 0.44611222932634564
Energy: 0.378761219805808
Energy: 0.44611222932719113
Energy: 0.378761219805808
Energy: 0.4021597022000586
Energy: 0.3894167714230017
Energy: 0.4021597021992132
Energy: 0.3894167714230017
Energy: 0.4021597022009041
Energy: 0.3894167714230017
Energy: 0.40515865576523485
Energy: 0.39977906154088483
Energy: 0.40515865576523485
Energy: 0.39977906154088483
Energy: 0.40515865576523485
Energy: 0.39977906154088483
Energy: 0.36765446537769403
Energy: 0.3942403598011406
Energy: 0.36765446537684854
Energy: 0.394240359801986
Energy: 0.36765446537769403
Energy: 0.394240359801986
Energy: 0.3641224840070252
Energy: 0.4039138270263108
Energy: 0.3641224840070252
Energy: 0.40391382702546536
Energy: 0.3641224840070252
Energy: 0.4039138270263108
Energy: 0.44755432845622783
Energy: 0.5321132666653116
Energy: 0.447554328457054
Energy: 0.5321132666644661
Energy: 0.44755432845622783
Energy: 0.5321132666636206
Energy: 0.3666547427210295
Energy: 0.3929082048605341
Energy: 0.3666547427210295
Energy: 0.39290820486137956
Energy: 0.36665474272187487
Energy: 0.3929082048605341

minimum gb energy = 0.35982612258710045 eV
minimum distance =  2.67074072416686 Angstroms
sigma value = 17


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

Energy: 0.3873565273969932
Energy: 0.34665393547816364
Energy: 0.3873565273963403
Energy: 0.3466539354778372
Energy: 0.3873565273960138
Energy: 0.34665393547816364
Energy: 0.36216637814453323
Energy: 0.3907559145619093
Energy: 0.36216637814420666
Energy: 0.3907559145619093
Energy: 0.36216637814485964
Energy: 0.3907559145619093
Energy: 0.39186948898775636
Energy: 0.36847470469809884
Energy: 0.39186948898775636
Energy: 0.3684747046977723
Energy: 0.3918694889880828
Energy: 0.36847470469744587
Energy: 0.3635229741279014
Energy: 0.3567741473316113
Energy: 0.3635229741279014
Energy: 0.3567741473316113
Energy: 0.36352297412822787
Energy: 0.35677414733193774
Energy: 0.3798983522346148
Energy: 0.3881364162679359
Energy: 0.37930222119993057
Energy: 0.3881364162672829
Energy: 0.37950122465422204
Energy: 0.38813641626858875
Energy: 0.3609149537864102
Energy: 0.34631764435643636
Energy: 0.3609149537864102
Energy: 0.34631764435578344
Energy: 0.36091495378543076
Energy: 0.3463176443561099
Energy: 0.35008867968516794
Energy: 0.40520087361918067
Energy: 0.35008867968190316
Energy: 0.4052008736188542
Energy: 0.3500886796861473
Energy: 0.4052008736188542
Energy: 0.394244354790006
Energy: 0.4131150482686121
Energy: 0.39424435478967956
Energy: 0.4131150482686121
Energy: 0.3942443547883736
Energy: 0.4131150482663268
Energy: 0.43262365150216336
Energy: 0.36363679373086316
Energy: 0.43262365150216336
Energy: 0.3636367937311896
Energy: 0.4326236515024898
Energy: 0.36363679373086316
Energy: 0.3499091565805942
Energy: 0.3699792419606619
Energy: 0.34990915658353244
Energy: 0.3699792419609883
Energy: 0.3499091565815736
Energy: 0.3699792419609883
Energy: 0.37466824453685404
Energy: 0.4602677940438284
Energy: 0.37466824453620107
Energy: 0.4602677940438284
Energy: 0.37466824453620107
Energy: 0.46026779404415485
Energy: 0.3921180604037689
Energy: 0.39131747917935705
Energy: 0.3921180604037689
Energy: 0.3913174791796835
Energy: 0.3921180604031159
Energy: 0.3913174791803365
Energy: 0.4148303274827237
Energy: 0.41117407924576255
Energy: 0.4148303274830502
Energy: 0.41117407924053895
Energy: 0.41483032748239723
Energy: 0.4111740792444566
Energy: 0.4066086024726545
Energy: 0.3488217479385312
Energy: 0.40660860246318675
Energy: 0.348821747941143
Energy: 0.4066086024648191
Energy: 0.34882174793918413
Energy: 0.38454085314287795
Energy: 0.3777433239825288
Energy: 0.38454085314287795
Energy: 0.37774332398350824
Energy: 0.38454085314320446
Energy: 0.3777433239857936
Energy: 0.3790356291329982
Energy: 0.3823765923101946
Energy: 0.37903562913332467
Energy: 0.38237659230986804
Energy: 0.37903562913234523
Energy: 0.38237659230986804
Energy: 0.34625213240386293
Energy: 0.35802188505536
Energy: 0.3462521324048423
Energy: 0.35802188505536
Energy: 0.34625213240516883
Energy: 0.3580218850550335
Energy: 0.41754886616866577
Energy: 0.37766688551186217
Energy: 0.41754886616768633
Energy: 0.3776668855115357
Energy: 0.41754886616866577
Energy: 0.37766688551186217
Energy: 0.40600394621377417
Energy: 0.36092754495986556
Energy: 0.4060039462170389
Energy: 0.3609275449582332
Energy: 0.4060039462147536
Energy: 0.3609275449579067
Energy: 0.3457985489582345
Energy: 0.38033735237575017
Energy: 0.3457985489588874
Energy: 0.38033735237575017
Energy: 0.34579854895790796
Energy: 0.38033735237575017
Energy: 0.405871250265463
Energy: 0.36058583357261026
Energy: 0.405871250265463
Energy: 0.36058583357065144
Energy: 0.40587125026448356
Energy: 0.3605858335732632
Energy: 0.4175588001316769
Energy: 0.37789599969789756
Energy: 0.4175588001333093
Energy: 0.37789599969430626
Energy: 0.41755880013135044
Energy: 0.3778959996939798
Energy: 0.34620107594917165
Energy: 0.35792752023137947
Energy: 0.3462010759481922
Energy: 0.3579275202317059
Energy: 0.3462010759485187
Energy: 0.35792752023137947
Energy: 0.3792999681649954
Energy: 0.40010833862545625
Energy: 0.37929996816466893
Energy: 0.40010833862578277
Energy: 0.37929996816434247
Energy: 0.4001083386182738
Energy: 0.3845531701674651
Energy: 0.3773993251004896
Energy: 0.3845531701674651
Energy: 0.37739932510081614
Energy: 0.3845531701668122
Energy: 0.37739932510081614
Energy: 0.4066756691867407
Energy: 0.34915163632864515
Energy: 0.4066756691870671
Energy: 0.34915163632799223
Energy: 0.4066756691864141
Energy: 0.3491516363289716
Energy: 0.41485737201327577
Energy: 0.4114291844930041
Energy: 0.4148573720142552
Energy: 0.41142918449365706
Energy: 0.41485737201327577
Energy: 0.4114291844930041
Energy: 0.3920856705844763
Energy: 0.39206423537217416
Energy: 0.3920856705838233
Energy: 0.3920642353725006
Energy: 0.3920856705844763
Energy: 0.39206423537576535
Energy: 0.37438850287296044
Energy: 0.4603714964826164
Energy: 0.37438850287230746
Energy: 0.4603714964839222
Energy: 0.3743885028732869
Energy: 0.46037149648326936
Energy: 0.34994154108300446
Energy: 0.36984972715018366
Energy: 0.34994154108267794
Energy: 0.36984972715018366
Energy: 0.3499415410839839
Energy: 0.36984972714985725
Energy: 0.4326902808051137
Energy: 0.36350073128469607
Energy: 0.4326902808051137
Energy: 0.3635007312850226
Energy: 0.4326902808047873
Energy: 0.3635007312850226
Energy: 0.39447122787881195
Energy: 0.41338548624230603
Energy: 0.39447122787946487
Energy: 0.4133854862419795
Energy: 0.3944712278791384
Energy: 0.4133854862341442
Energy: 0.34990789312115234
Energy: 0.405478817831881
Energy: 0.3499078931286612
Energy: 0.4054788178322074
Energy: 0.3499078931267024
Energy: 0.40547881783253387
Energy: 0.36083199190690163
Energy: 0.3325307462445381
Energy: 0.3608319919075546
Energy: 0.33253074624486456
Energy: 0.3608319919075546
Energy: 0.3325307462445381
Energy: 0.37659150849812906
Energy: 0.3882639701267153
Energy: 0.37639179081772023
Energy: 0.3882639701263888
Energy: 0.3763919542248537
Energy: 0.3882639701263888
Energy: 0.36355440943220396
Energy: 0.43341784359582003
Energy: 0.36355440943220396
Energy: 0.43341784359582003
Energy: 0.36355440943285694
Energy: 0.43341784359582003
Energy: 0.39189770884779085
Energy: 0.36843233844000645
Energy: 0.3918977088481173
Energy: 0.36843233843968
Energy: 0.39189770884713787
Energy: 0.36843233843968
Energy: 0.3623802522765889
Energy: 0.39052972210551024
Energy: 0.3623802522765889
Energy: 0.3905297221058367
Energy: 0.3623802522762624
Energy: 0.3905297221058367
Energy: 0.3873565273992785
Energy: 0.34665393547685774
Energy: 0.38735652739829907
Energy: 0.3466539354775107
Energy: 0.38735652739862564
Energy: 0.34665393547718426
Energy: 0.3621663781458391
Energy: 0.3890088768578786
Energy: 0.36216637814551256
Energy: 0.3890088768575521
Energy: 0.36216637814485964
Energy: 0.38900887685853147
Energy: 0.39186948898612395
Energy: 0.36847470470071064
Energy: 0.3918694889854711
Energy: 0.3684747047020165
Energy: 0.3918694889854711
Energy: 0.3684747047013636
Energy: 0.3635229741279014
Energy: 0.3567741473276936
Energy: 0.3635229741285544
Energy: 0.356774147328673
Energy: 0.36352297412888085
Energy: 0.3567741473289994
Energy: 0.37989970817108976
Energy: 0.38813641627022116
Energy: 0.37930336916107554
Energy: 0.3881364162698947
Energy: 0.3794981797004368
Energy: 0.3881364162698947

minimum gb energy = 0.3325307462445381 eV
minimum distance =  2.64650446200993 Angstroms
sigma value = 57


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

Energy: 0.3711960184298111
Energy: 0.3298683694715129
Energy: 0.3711960184298111
Energy: 0.3298683694715129
Energy: 0.3711960184319374
Energy: 0.3298683694720445
Energy: 0.34006723007257733
Energy: 0.3674139551664901
Energy: 0.34006723006460365
Energy: 0.36741395516595854
Energy: 0.34006723007098255
Energy: 0.36741395516595854
Energy: 0.38219162769352993
Energy: 0.3775501699757099
Energy: 0.3821916276940615
Energy: 0.3775501699757099
Energy: 0.38219162769459303
Energy: 0.3775501699751784
Energy: 0.350229648180882
Energy: 0.36827122348511226
Energy: 0.35022964819045044
Energy: 0.36827122348511226
Energy: 0.35022964817928726
Energy: 0.36827122348511226
Energy: 0.42980831808691666
Energy: 0.34765575962645523
Energy: 0.429808318082664
Energy: 0.34765575962645523
Energy: 0.4298083180831956
Energy: 0.3476557596275184
Energy: 0.3516394067994969
Energy: 0.3207919213069801
Energy: 0.3516394067989653
Energy: 0.32079192130751166
Energy: 0.3516394067989653
Energy: 0.32079192130751166
Energy: 0.35331915289770566
Energy: 0.3863300956528699
Energy: 0.35331915289876875
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Energy: 0.35331915289770566
Energy: 0.3863300956523383
Energy: 0.38511487233416813
Energy: 0.37958606377641024
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Energy: 0.37958606377800497
Energy: 0.38511487233576286
Energy: 0.37958606377587867
Energy: 0.3712291603961122
Energy: 0.3213794400255377
Energy: 0.3712291603955807
Energy: 0.32137944002819563
Energy: 0.3712291603955807
Energy: 0.32137944002341134
Energy: 0.3306203702591243
Energy: 0.3757343971810773
Energy: 0.3306203702601874
Energy: 0.3757343971810773
Energy: 0.3306203702591243
Energy: 0.3757343971810773
Energy: 0.3531027800237471
Energy: 0.3852832390995601
Energy: 0.3531027800253419
Energy: 0.38528323912879703
Energy: 0.35310278002481027
Energy: 0.385283239125076
Energy: 0.34043524973859124
Energy: 0.3535624285619327
Energy: 0.34043524973965444
Energy: 0.35356242856140113
Energy: 0.34043524973805966
Energy: 0.35356242856140113
Energy: 0.3292722096311566
Energy: 0.37725057087000463
Energy: 0.3292722096380671
Energy: 0.37725057087053626
Energy: 0.32927220963647236
Energy: 0.37725057087000463
Energy: 0.3578066847039902
Energy: 0.3411080287208239
Energy: 0.35780668470239546
Energy: 0.3411080287325186
Energy: 0.35780668470186394
Energy: 0.3411080287287976
Energy: 0.3778559699877951
Energy: 0.38890750764492854
Energy: 0.37785596998726345
Energy: 0.38890750764280224
Energy: 0.37785596998726345
Energy: 0.38890750764280224
Energy: 0.3740096637565128
Energy: 0.3773224894358368
Energy: 0.3740096637554496
Energy: 0.3773224894358368
Energy: 0.3740096637575759
Energy: 0.37732248943636837
Energy: 0.3822780163449595
Energy: 0.39452000407319826
Energy: 0.3822780163449595
Energy: 0.39452000407319826
Energy: 0.3822780163460227
Energy: 0.39452000407319826
Energy: 0.3662230445688771
Energy: 0.362297612063015
Energy: 0.3662230445683456
Energy: 0.36229761206248345
Energy: 0.3662230445683456
Energy: 0.36229761206142025
Energy: 0.35989790313213327
Energy: 0.35623584890804094
Energy: 0.35989790313266495
Energy: 0.35623584890804094
Energy: 0.35989790313266495
Energy: 0.35623584890963567
Energy: 0.35979216255191043
Energy: 0.35859031366498206
Energy: 0.359792162552442
Energy: 0.3585903136644505
Energy: 0.359792162549784
Energy: 0.35859031366498206
Energy: 0.39411023700487513
Energy: 0.35715724023896334
Energy: 0.3941102370043435
Energy: 0.35715724024055806
Energy: 0.39411023700487513
Energy: 0.35715724023949486
Energy: 0.3526983087114673
Energy: 0.35659698658334393
Energy: 0.35269830871199886
Energy: 0.35659698659392725
Energy: 0.35269830871199886
Energy: 0.35659698659764827
Energy: 0.3317651225454833
Energy: 0.3368692654252903
Energy: 0.33176512254760965
Energy: 0.3368692654252903
Energy: 0.3317651225460149
Energy: 0.3368692654247586
Energy: 0.38189898597939137
Energy: 0.46567768023019684
Energy: 0.3818989859804546
Energy: 0.4656776802254126
Energy: 0.381898985979923
Energy: 0.46567768022807055
Energy: 0.38184237812842325
Energy: 0.4559981394859741
Energy: 0.38184237812842325
Energy: 0.4559981394859741
Energy: 0.38184237812895483
Energy: 0.4559981394859741
Energy: 0.32768410618558896
Energy: 0.33748663621600195
Energy: 0.32768410618346266
Energy: 0.33748663621600195
Energy: 0.32768410618293103
Energy: 0.3374866362165335
Energy: 0.36010726987918673
Energy: 0.35697750964668656
Energy: 0.36010726987971825
Energy: 0.35697750964774977
Energy: 0.3601072698802499
Energy: 0.3569775096472182

minimum gb energy = 0.3207919213069801 eV
minimum distance =  2.64309545381779 Angstroms
sigma value = 43


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

Energy: 0.39566857860633514
Energy: 0.30854761683077186
Energy: 0.39566857860672255
Energy: 0.30854761683077186
Energy: 0.39566857860672255
Energy: 0.30854761683077186
Energy: 0.3477611989763844
Energy: 0.3359287657638333
Energy: 0.3477611989767717
Energy: 0.3359287657638333
Energy: 0.3477611989767717
Energy: 0.3359287657646079
Energy: 0.34719115218022595
Energy: 0.34649294552414994
Energy: 0.34719115217983865
Energy: 0.34649294552414994
Energy: 0.34719115218022595
Energy: 0.34649294552414994
Energy: 0.41162850761546893
Energy: 0.3298332266717957
Energy: 0.41162850761391967
Energy: 0.3298332266717957
Energy: 0.41162850761546893
Energy: 0.3298332266714084
Energy: 0.41102373383748164
Energy: 0.32610264055352267
Energy: 0.411023733837869
Energy: 0.32610264055352267
Energy: 0.41102373383748164
Energy: 0.32610264055391003
Energy: 0.3194337485235683
Energy: 0.2957146956883833
Energy: 0.319433748523181
Energy: 0.295714695687996
Energy: 0.319433748523181
Energy: 0.295714695689158
Energy: 0.33636089789125917
Energy: 0.3435386728256103
Energy: 0.3363608978970688
Energy: 0.343538672825223
Energy: 0.33636089788544954
Energy: 0.3435386728256103
Energy: 0.42590852867119
Energy: 0.3052009834713652
Energy: 0.42590852867196466
Energy: 0.30520098347523833
Energy: 0.4259085286715773
Energy: 0.3052009834705906
Energy: 0.30410565781078264
Energy: 0.294939192297767
Energy: 0.3041056578103953
Energy: 0.2949391922973797
Energy: 0.30410565781078264
Energy: 0.2949391922973797
Energy: 0.3026767232509239
Energy: 0.3274334268759888
Energy: 0.30267672325440964
Energy: 0.3274334268759888
Energy: 0.30267672325363504
Energy: 0.3274334268759888
Energy: 0.3900626076369717
Energy: 0.3454536136880069
Energy: 0.3900626076354225
Energy: 0.3454536136872323
Energy: 0.3900626076369717
Energy: 0.34545361368529576
Energy: 0.33091301561520803
Energy: 0.2959332946983988
Energy: 0.33091301561637004
Energy: 0.2959332946983988
Energy: 0.3309130156155954
Energy: 0.2959332946987861
Energy: 0.3021869702742616
Energy: 0.3202929899305361
Energy: 0.3021869702742616
Energy: 0.3202929899305361
Energy: 0.30218697027464897
Energy: 0.3202929899305361
Energy: 0.39146731200482454
Energy: 0.3637134728323337
Energy: 0.39146731200443724
Energy: 0.3637134728323337
Energy: 0.3914673120052119
Energy: 0.363713472832721
Energy: 0.3272761584650067
Energy: 0.29477243313251095
Energy: 0.3272761584646194
Energy: 0.2947724331332856
Energy: 0.3272761584650067
Energy: 0.2947724331336729
Energy: 0.30682485455530023
Energy: 0.31850229351972176
Energy: 0.30682485455491293
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Energy: 0.33591770586891645
Energy: 0.3645933508949794
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Energy: 0.3645933508938175
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Energy: 0.31121484149721007
Energy: 0.3261987308169526
Energy: 0.31121484149682277
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Energy: 0.3112148414975974
Energy: 0.32619873081656536
Energy: 0.3174078151174678
Energy: 0.3413074547167275
Energy: 0.31740781511514393
Energy: 0.3413074547163402
Energy: 0.31740781511591853
Energy: 0.3413074547163402
Energy: 0.3405180710098671
Energy: 0.40046835528874636
Energy: 0.34051807101025433
Energy: 0.40046835528797176
Energy: 0.3405180710114163
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Energy: 0.3399409473428565
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Energy: 0.3399409473424692
Energy: 0.3908960817725415
Energy: 0.3399409473428565
Energy: 0.3908960817725415
Energy: 0.35139210228102846
Energy: 0.35074275352777023
Energy: 0.3513921022814157
Energy: 0.35074275352738293
Energy: 0.35139210228064116
Energy: 0.35074275352738293
Energy: 0.3399505816208824
Energy: 0.3492520158784269
Energy: 0.3399505816204951
Energy: 0.34925201587881427
Energy: 0.3399505816204951
Energy: 0.34925201587803967
Energy: 0.3319339681698271
Energy: 0.3732975979962124
Energy: 0.33193396816905246
Energy: 0.3732975979962124
Energy: 0.3319339681702145
Energy: 0.3732975979962124
Energy: 0.3111016613837057
Energy: 0.32882016512785334
Energy: 0.3111016613833184
Energy: 0.32882016512785334
Energy: 0.3111016613837057
Energy: 0.3288201651282406
Energy: 0.3230987053311417
Energy: 0.32915772629518153
Energy: 0.32309870533075447
Energy: 0.32915772629518153
Energy: 0.32309870533075447
Energy: 0.3291577262947942
Energy: 0.31095916928376355
Energy: 0.40184198632528334
Energy: 0.31095916928415085
Energy: 0.40184198632528334
Energy: 0.31095916928415085
Energy: 0.40184198632528334
Energy: 0.3028687212992796
Energy: 0.33977163016016537
Energy: 0.30286872129966697
Energy: 0.33977163015861617
Energy: 0.30286872129966697
Energy: 0.33977163015667955
Energy: 0.2908483145440771
Energy: 0.30421693820970985
Energy: 0.2908483145436898
Energy: 0.30421693820970985
Energy: 0.2908483145440771
Energy: 0.30421693820970985
Energy: 0.3265037520122009
Energy: 0.3363851043609254
Energy: 0.32650375201181353
Energy: 0.33638510436518587
Energy: 0.3265037520114263
Energy: 0.3363851043655731
Energy: 0.3059214773963164
Energy: 0.43294639345170494
Energy: 0.3059214773955418
Energy: 0.43294639345131763
Energy: 0.3059214773959291
Energy: 0.4329463934509303
Energy: 0.2911415489598322
Energy: 0.2951181534336531
Energy: 0.2911415489606068
Energy: 0.2951181534336531
Energy: 0.29114154895944483
Energy: 0.2951181534336531
Energy: 0.3212623452643515
Energy: 0.3368230147563001
Energy: 0.3212623452647388
Energy: 0.3368230147563001
Energy: 0.32126234526512615
Energy: 0.33682301475591275
Energy: 0.3349177234876843
Energy: 0.3817216722896362
Energy: 0.3349177234872969
Energy: 0.38172167229079806
Energy: 0.33491772348845894
Energy: 0.38172167229002346
Energy: 0.3011894352159305
Energy: 0.32058631026978823
Energy: 0.30118943521670516
Energy: 0.32058631027017553
Energy: 0.3011894352151559
Energy: 0.32058631026978823
Energy: 0.30027807774728754
Energy: 0.29450293214975676
Energy: 0.30027807774767484
Energy: 0.2945029321354263
Energy: 0.30027807774728754
Energy: 0.29450293215711565

minimum gb energy = 0.2908483145436898 eV
minimum distance =  2.64563964115816 Angstroms
sigma value = 81


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

Energy: 0.17377034350964116
Energy: 0.1902892571143134
Energy: 0.06888463030204406
Energy: 0.1902892571143134
Energy: 0.17377034350964116
Energy: 0.1902892571136019
Energy: 0.43147459445182784
Energy: 0.06928881006898314
Energy: 0.4314745944511163
Energy: 0.06928881006870824
Energy: 0.43147459445182784
Energy: 0.06928881006841714
Energy: 0.4444525862626217
Energy: 0.09898755274443677
Energy: 0.44445258626220124
Energy: 0.0989875527447117
Energy: 0.4444525862626217
Energy: 0.09898755274514832
Energy: 0.06888463030204406
Energy: 0.19028925711460448
Energy: 0.06888463030204406
Energy: 0.19028925711445896
Energy: 0.06888463030204406
Energy: 0.19028925711374742
Energy: 0.43147459445140735
Energy: 0.06928881006912868
Energy: 0.4314745944508414
Energy: 0.06928881006984022
Energy: 0.4314745944512618
Energy: 0.06928881006870824
Energy: 0.4444525862620557
Energy: 0.09898755274443677
Energy: 0.44445258626220124
Energy: 0.09898755274458232
Energy: 0.44445258626220124
Energy: 0.09898755274443677
Energy: 0.17377034351035267
Energy: 0.19028925711318143
Energy: 0.06888463030204406
Energy: 0.19028925711332695
Energy: 0.17377034351020715
Energy: 0.19028925711261543
Energy: 0.4314745944512618
Energy: 0.06928881006898314
Energy: 0.43147459445040476
Energy: 0.06928881006898314
Energy: 0.4314745944511163
Energy: 0.0692888100701313
Energy: 0.44445258626233064
Energy: 0.09898755274387078
Energy: 0.44445258626233064
Energy: 0.09898755274387078
Energy: 0.44445258626247613
Energy: 0.09898755274400015
Energy: 0.0688846303021896
Energy: 0.19028925711389297
Energy: 0.06888463030189854
Energy: 0.19028925711389297
Energy: 0.06888463030204406
Energy: 0.19028925711345634

minimum gb energy = 0.06888463030189854 eV
minimum distance =  2.75245064247104 Angstroms
sigma value = 3


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

Energy: 0.3845409825392935
Energy: 0.2958830080566172
Energy: 0.3845409825384418
Energy: 0.2958830080566172
Energy: 0.3845409825380159
Energy: 0.29588300805619144
Energy: 0.27400859460324295
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Energy: 0.2740085946049464
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Energy: 0.27400859460537225
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Energy: 0.3521923495510678
Energy: 0.26984630641388896
Energy: 0.35219234955021606
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Energy: 0.26984630641346313
Energy: 0.315272166271742
Energy: 0.3058444247584968
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Energy: 0.3058444247589227
Energy: 0.3152721662730195
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Energy: 0.32443379007142853
Energy: 0.2971298855840217
Energy: 0.3244337900710027
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Energy: 0.3244337900705768
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Energy: 0.33778293833227796
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Energy: 0.3377829383327038
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Energy: 0.28881230993452767
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Energy: 0.29398010989027124
Energy: 0.30586277270562184
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Energy: 0.2810134791415201
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Energy: 0.31732176822203584
Energy: 0.31427806770192396
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Energy: 0.3191964186525352
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Energy: 0.3153322268357253
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Energy: 0.3284479826534864
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Energy: 0.3131510163883357
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Energy: 0.28586402740556605
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Energy: 0.3076638001330935
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Energy: 0.2967456278252767
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Energy: 0.33140902618457097
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Energy: 0.279672146645221
Energy: 0.296956417044322
Energy: 0.279672146645221
Energy: 0.2969564170451737
Energy: 0.279672146645221
Energy: 0.2969564170451737
Energy: 0.36640325535928253
Energy: 0.3391860765767802
Energy: 0.3664032553614118
Energy: 0.3391860765767802
Energy: 0.3664032553584308
Energy: 0.3391860765767802
Energy: 0.30890651064724034
Energy: 0.33399774857281217
Energy: 0.3089065106459627
Energy: 0.33399774857281217
Energy: 0.3089065106476661
Energy: 0.33399774857281217
Energy: 0.3164570860671028
Energy: 0.28698119432200914
Energy: 0.31645708606752865
Energy: 0.286981194322435
Energy: 0.3164570860671028
Energy: 0.28698119432200914
Energy: 0.2604301247757349
Energy: 0.3273219702952087
Energy: 0.2604301247761608
Energy: 0.3273219702952087
Energy: 0.26043012477658667
Energy: 0.3273219702956346

minimum gb energy = 0.2604301247757349 eV
minimum distance =  2.68629215159124 Angstroms
sigma value = 67


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

Energy: 0.42687952993698963
Energy: 0.3543762264051082
Energy: 0.4268795299375965
Energy: 0.35437622640450145
Energy: 0.4268795299375965
Energy: 0.35437622640450145
Energy: 0.37205913842908583
Energy: 0.3721340909207193
Energy: 0.3720591384296927
Energy: 0.3721340909207193
Energy: 0.3720591384296927
Energy: 0.3721340909207193
Energy: 0.38664544205578993
Energy: 0.3734341249784759
Energy: 0.38664544205396945
Energy: 0.3734341249784759
Energy: 0.38664544205396945
Energy: 0.3734341249784759
Energy: 0.3721171008890795
Energy: 0.3477153525857338
Energy: 0.3721171008866523
Energy: 0.3477153525857338
Energy: 0.37211710088725913
Energy: 0.3477153525857338
Energy: 0.3704843012981299
Energy: 0.34462772303807804
Energy: 0.3704843012981299
Energy: 0.34462772303807804
Energy: 0.3704843012975231
Energy: 0.34462772303747125
Energy: 0.3982658246788425
Energy: 0.38861409141141734
Energy: 0.3982658246794492
Energy: 0.38861409141202413
Energy: 0.3982658246788425
Energy: 0.38861409141202413
Energy: 0.33330425941522274
Energy: 0.3906454187647587
Energy: 0.33330425941522274
Energy: 0.3906454187653655
Energy: 0.33330425941400915
Energy: 0.3906454187647587
Energy: 0.3975230870434101
Energy: 0.3781900246542093
Energy: 0.3975230870428033
Energy: 0.37819002465360246
Energy: 0.3975230870434101
Energy: 0.3781900246542093
Energy: 0.3926601420007999
Energy: 0.44788652997965983
Energy: 0.3926601419989794
Energy: 0.4478865299802667
Energy: 0.39266014200019306
Energy: 0.44788652997965983
Energy: 0.33232609727045637
Energy: 0.37238155178844257
Energy: 0.33232609727045637
Energy: 0.37238155178844257
Energy: 0.33232609727045637
Energy: 0.37238155178844257
Energy: 0.35224139518486863
Energy: 0.4170560038995704
Energy: 0.35224139518486863
Energy: 0.4170560038995704
Energy: 0.35224139518486863
Energy: 0.4170560038995704
Energy: 0.3656460082192787
Energy: 0.35185377348397623
Energy: 0.3656460082186718
Energy: 0.3518537734833694
Energy: 0.3656460082186718
Energy: 0.3518537734833694
Energy: 0.3672438126599708
Energy: 0.4003789006770687
Energy: 0.36724381265936396
Energy: 0.4003789006758552
Energy: 0.3672438126599708
Energy: 0.40037890067646204
Energy: 0.3578242940817534
Energy: 0.4467276573670644
Energy: 0.3578242940817534
Energy: 0.44672765736767117
Energy: 0.3578242940817534
Energy: 0.4467276573670644
Energy: 0.3674069519791608
Energy: 0.31579908593280637
Energy: 0.3674069519791608
Energy: 0.3157990859346268
Energy: 0.3674069519791608
Energy: 0.3157990859352336
Energy: 0.36466011824441624
Energy: 0.35743015360956437
Energy: 0.3646601182432026
Energy: 0.35743015360956437
Energy: 0.3646601182432026
Energy: 0.357430153610778
Energy: 0.35538945525946736
Energy: 0.37418471119399743
Energy: 0.35538945525886056
Energy: 0.3741847111946043
Energy: 0.35538945525886056
Energy: 0.37418471119399743
Energy: 0.3287251801015548
Energy: 0.309075743122436
Energy: 0.328725180105168
Energy: 0.3090757431218292
Energy: 0.328725180103982
Energy: 0.309075743122436
Energy: 0.3673487494587305
Energy: 0.4117181894590074
Energy: 0.3673487494587305
Energy: 0.4117181894584006
Energy: 0.36734874945933726
Energy: 0.4117181894584006
Energy: 0.38835139138775404
Energy: 0.34037170186891974
Energy: 0.3883513913871473
Energy: 0.3403717018683129
Energy: 0.3883513913871473
Energy: 0.34037170186891974
Energy: 0.39857705446100083
Energy: 0.3133280069632555
Energy: 0.3985770544616076
Energy: 0.3133280069632555
Energy: 0.39857705446100083
Energy: 0.3133280069632555
Energy: 0.43113724837302636
Energy: 0.4134286226997369
Energy: 0.4311372483724196
Energy: 0.4134286226997369
Energy: 0.4311372483736332
Energy: 0.4134286226997369
Energy: 0.3244295003391921
Energy: 0.33989388382156266
Energy: 0.3244295003391921
Energy: 0.33989388382216945
Energy: 0.32442950033979895
Energy: 0.33989388382156266

minimum gb energy = 0.3090757431218292 eV
minimum distance =  2.6929892107968 Angstroms
sigma value = 33


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

Energy: 0.4830696745487509
Energy: 0.3765113421000008
Energy: 0.46339276111838484
Energy: 0.3765113420996159
Energy: 0.48306967455260025
Energy: 0.3765113421000008
Energy: 0.4163678913228329
Energy: 0.4080638214706811
Energy: 0.41636789132321783
Energy: 0.40806382146875636
Energy: 0.41636789132244795
Energy: 0.40806382146875636
Energy: 0.4377945582281164
Energy: 0.4203324044809249
Energy: 0.4377945582273465
Energy: 0.42033240448361947
Energy: 0.43779455822850144
Energy: 0.4203324044832345
Energy: 0.4422037975740909
Energy: 0.38053678807629526
Energy: 0.4422037975752457
Energy: 0.38053678807937474
Energy: 0.4422037975729361
Energy: 0.38053678807898983
Energy: 0.43036932505335396
Energy: 0.4249629461713426
Energy: 0.43036932505296904
Energy: 0.4249629461732673
Energy: 0.43036932505296904
Energy: 0.4249629461728824
Energy: 0.47612382432685707
Energy: 0.4521098783698819
Energy: 0.4761238243264721
Energy: 0.45210987836911204
Energy: 0.4761238243257022
Energy: 0.45210987836911204
Energy: 0.39684783145242714
Energy: 0.399422569607087
Energy: 0.39684783145204217
Energy: 0.39942256960862677
Energy: 0.3968478314543518
Energy: 0.3994225696090117
Energy: 0.39222035211747486
Energy: 0.439655939631966
Energy: 0.3922203521151652
Energy: 0.4396559396354304
Energy: 0.39222035211632006
Energy: 0.4396559396358154
Energy: 0.40734531571302623
Energy: 0.4394486780994786
Energy: 0.40748777809717607
Energy: 0.4394486780998635
Energy: 0.407345315714566
Energy: 0.4394486780987087
Energy: 0.39088667994716597
Energy: 0.4385673110930104
Energy: 0.3908866799452411
Energy: 0.4385673110907008
Energy: 0.3908866799440863
Energy: 0.4385673110907008
Energy: 0.42160893014683076
Energy: 0.4853145861487523
Energy: 0.4216350116452446
Energy: 0.4853145861529517
Energy: 0.4216089301472157
Energy: 0.4853145861529517
Energy: 0.3965484785068092
Energy: 0.427799514893562
Energy: 0.39654847850757907
Energy: 0.42779951489548673
Energy: 0.3965484785064243
Energy: 0.42779951489587165
Energy: 0.41757378477167
Energy: 0.37851777544755727
Energy: 0.41757378477167
Energy: 0.37851777544447773
Energy: 0.4175737847705152
Energy: 0.3785177754448627
Energy: 0.40561705685223653
Energy: 0.40735597256087047
Energy: 0.4056170568541612
Energy: 0.4073559725631452
Energy: 0.4056170568537763
Energy: 0.40735597256276024
Energy: 0.3838966685707337
Energy: 0.41821546240789687
Energy: 0.3838966685711186
Energy: 0.41821546240828184
Energy: 0.3838966685711186
Energy: 0.41821546240866675
Energy: 0.47160692208564475
Energy: 0.41501250160835806
Energy: 0.47160692208679955
Energy: 0.41501250160720327
Energy: 0.47160692208718447
Energy: 0.4150125016075882
Energy: 0.4288166211032694
Energy: 0.37231413774291844
Energy: 0.4288166211024995
Energy: 0.3723141377390691
Energy: 0.42881662110172963
Energy: 0.3723141377398389
Energy: 0.4481430444525295
Energy: 0.4504536560492927
Energy: 0.44814304445214453
Energy: 0.4504536560481378
Energy: 0.44814304444983494
Energy: 0.45045365604698295
Energy: 0.3371825426023469
Energy: 0.44571479180837326
Energy: 0.3371825426023469
Energy: 0.44571479180760337
Energy: 0.33718254260157704
Energy: 0.4457147918079883
Energy: 0.4574558954822863
Energy: 0.3730152508115633
Energy: 0.4574558954811315
Energy: 0.37301525081464276
Energy: 0.4574558954826713
Energy: 0.37301525081464276
Energy: 0.43429016453062264
Energy: 0.45731388618871976
Energy: 0.434222049566465
Energy: 0.4573138861891047
Energy: 0.4342901645286979
Energy: 0.4573138861891047
Energy: 0.4137983539674
Energy: 0.41986886124144573
Energy: 0.41379835396701503
Energy: 0.4198688612429855
Energy: 0.4137983539674
Energy: 0.4198688612429855
Energy: 0.4239766416749043
Energy: 0.48705515772155134
Energy: 0.41621683204753435
Energy: 0.48705515772116637
Energy: 0.4239766416733646
Energy: 0.48705515772116637
Energy: 0.44179790775646954
Energy: 0.4055758520115935
Energy: 0.4218859547518977
Energy: 0.4055758520115935
Energy: 0.4417979077572394
Energy: 0.4055758520123634
Energy: 0.4172154591652309
Energy: 0.4195423144775927
Energy: 0.39681129607090604
Energy: 0.4195423144772078
Energy: 0.4172154591617665
Energy: 0.4195423144772078
Energy: 0.4033904478006384
Energy: 0.47717501373035964
Energy: 0.4033904477994836
Energy: 0.477175013734594
Energy: 0.4033904478014083
Energy: 0.47717501373497895
Energy: 0.3959354260555651
Energy: 0.4325924829582289
Energy: 0.3959354260551802
Energy: 0.4325924829578439
Energy: 0.39593542605595006
Energy: 0.4325924829578439
Energy: 0.4563245690908951
Energy: 0.4357935571826602
Energy: 0.45632456909205
Energy: 0.4357935571834301
Energy: 0.45632456909551444
Energy: 0.4357935571853548
Energy: 0.43444936929473754
Energy: 0.42452655915525506
Energy: 0.434449369297817
Energy: 0.4245265591575647
Energy: 0.4344493692970472
Energy: 0.4245265591571798
Energy: 0.3991767443649041
Energy: 0.45399955193713043
Energy: 0.3991767443633643
Energy: 0.45399955193828523
Energy: 0.39917674436297934
Energy: 0.4539995519379003
Energy: 0.4911190335020435
Energy: 0.43754504547420353
Energy: 0.4911190335039682
Energy: 0.4375450454757433
Energy: 0.49111903350435315
Energy: 0.43754504547612827
Energy: 0.43034114476287266
Energy: 0.3731658431175067
Energy: 0.43031705619332433
Energy: 0.37316584311635187
Energy: 0.43034114476210283
Energy: 0.37316584311596696
Energy: 0.35265903052746195
Energy: 0.4667248925170348
Energy: 0.35280586080899656
Energy: 0.46672489251588
Energy: 0.35265903052553726
Energy: 0.4667248925162649
Energy: 0.4326064800551469
Energy: 0.41002505141131557
Energy: 0.4326064800532222
Energy: 0.41002505141093065
Energy: 0.4326064800532222
Energy: 0.41002505141054574
Energy: 0.40832410341656006
Energy: 0.4202861906375374
Energy: 0.40832410341848474
Energy: 0.4202861906390772
Energy: 0.40832410341694503
Energy: 0.4202861906386922
Energy: 0.4783947281972025
Energy: 0.3788299458933144
Energy: 0.47839472819527784
Energy: 0.3788299458917747
Energy: 0.478394728194123
Energy: 0.3788299458921596
Energy: 0.35361250587188287
Energy: 0.411625205059382
Energy: 0.35361250587303766
Energy: 0.4116252050574573
Energy: 0.35361250587149795
Energy: 0.4116252050574573

minimum gb energy = 0.33718254260157704 eV
minimum distance =  2.58206429660125 Angstroms
sigma value = 41


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

Energy: 0.5076054663175198
Energy: 0.4176212189198059
Energy: 0.5076054663175198
Energy: 0.4176212189198059
Energy: 0.5076054663175198
Energy: 0.4176212189198059
Energy: 0.43538398119116356
Energy: 0.461023059291611
Energy: 0.43538398119116356
Energy: 0.461023059291611
Energy: 0.43538398119116356
Energy: 0.46102305929056
Energy: 0.5509691878129329
Energy: 0.4630228953462567
Energy: 0.5509691878129329
Energy: 0.4630228953462567
Energy: 0.5509691878129329
Energy: 0.4630228953462567
Energy: 0.4712725116021613
Energy: 0.5283121899426029
Energy: 0.4712725116021613
Energy: 0.5283121899426029
Energy: 0.4712725116011103
Energy: 0.5283121899426029
Energy: 0.48324137817188256
Energy: 0.46422080015729095
Energy: 0.48324137817188256
Energy: 0.4642208001562399
Energy: 0.48324137817188256
Energy: 0.4642208001562399
Energy: 0.5136773091021001
Energy: 0.48082215832466846
Energy: 0.5136773091021001
Energy: 0.48082215832571945
Energy: 0.5136773091031511
Energy: 0.48082215832466846
Energy: 0.4441045799086472
Energy: 0.4827220812013053
Energy: 0.4441045799086472
Energy: 0.4827220812013053
Energy: 0.4441045799086472
Energy: 0.4827220812013053
Energy: 0.4636057767456491
Energy: 0.5063767142950095
Energy: 0.4636057767456491
Energy: 0.5063767142950095
Energy: 0.4636057767456491
Energy: 0.5063767142950095
Energy: 0.4507252108932126
Energy: 0.4424512281026194
Energy: 0.4507252108932126
Energy: 0.4424512281026194
Energy: 0.4507252108932126
Energy: 0.4424512281026194
Energy: 0.5075058485687984
Energy: 0.41928733564092296
Energy: 0.5075058485698494
Energy: 0.41928733564092296
Energy: 0.5075058485698494
Energy: 0.41928733564092296
Energy: 0.4367949816571961
Energy: 0.46295379449756047
Energy: 0.43679498165614505
Energy: 0.46295379449756047
Energy: 0.43679498165614505
Energy: 0.46295379449756047
Energy: 0.4743986298782155
Energy: 0.46108639832066667
Energy: 0.4743986298782155
Energy: 0.46108639832066667
Energy: 0.4743986298782155
Energy: 0.4610863983217177
Energy: 0.5259843890275956
Energy: 0.5320702251499875
Energy: 0.5259843890265445
Energy: 0.5320702251499875
Energy: 0.5259843890275956
Energy: 0.5320702251499875
Energy: 0.5305304103648678
Energy: 0.4650248298276724
Energy: 0.5305304103648678
Energy: 0.46502482982977444
Energy: 0.5305304103638168
Energy: 0.4650248298287234

minimum gb energy = 0.4176212189198059 eV
minimum distance =  2.65875409130039 Angstroms
sigma value = 11


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

Energy: 0.5611362743684717
Energy: 0.5032674207988884
Energy: 0.5611362743689334
Energy: 0.5032674207988884
Energy: 0.5611362743684717
Energy: 0.5032674207988884
Energy: 0.4615961240133976
Energy: 0.5236873167081291
Energy: 0.4615961240133976
Energy: 0.5236873167085907
Energy: 0.4615961240133976
Energy: 0.5236873167081291
Energy: 0.516119579430228
Energy: 0.5276469537372059
Energy: 0.5161195794293045
Energy: 0.5276469537367442
Energy: 0.5161195794283812
Energy: 0.5276469537367442
Energy: 0.5310503180569961
Energy: 0.4728953701048443
Energy: 0.5310503180569961
Energy: 0.4728953701048443
Energy: 0.5310503180569961
Energy: 0.4728953701048443
Energy: 0.5215915890432727
Energy: 0.5259365143052431
Energy: 0.5215915890432727
Energy: 0.5259365143052431
Energy: 0.5215915890437344
Energy: 0.5259365143052431
Energy: 0.4964198043928661
Energy: 0.5229905859402245
Energy: 0.4964198043933278
Energy: 0.5229905859397629
Energy: 0.4964198043928661
Energy: 0.5229905859397629
Energy: 0.533779068669452
Energy: 0.4890834708304046
Energy: 0.533779068669452
Energy: 0.48908347083086634
Energy: 0.533779068669452
Energy: 0.4890834708304046
Energy: 0.5143322359306909
Energy: 0.5027976024865558
Energy: 0.514332235932076
Energy: 0.5027976024865558
Energy: 0.514332235932076
Energy: 0.5027976024865558
Energy: 0.49998686312059437
Energy: 0.503462487516807
Energy: 0.49998686312059437
Energy: 0.503462487516807
Energy: 0.49998686312059437
Energy: 0.503462487516807
Energy: 0.5255837879935032
Energy: 0.5092993991666882
Energy: 0.525583787993965
Energy: 0.5092993991657648
Energy: 0.5255837879944267
Energy: 0.5092993991666882
Energy: 0.4922050224015002
Energy: 0.5271110801995958
Energy: 0.4922050224015002
Energy: 0.5271110801991342
Energy: 0.4922050224019619
Energy: 0.5271110802005193
Energy: 0.514708938725544
Energy: 0.5372942350646354
Energy: 0.5147089387260056
Energy: 0.537294235065097
Energy: 0.514708938725544
Energy: 0.537294235065097
Energy: 0.5272204140126019
Energy: 0.5033614134042602
Energy: 0.5272204140126019
Energy: 0.5033614134042602
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Energy: 0.5033614134042602
Energy: 0.475862395140287
Energy: 0.5391247062265563
Energy: 0.4758623951416721
Energy: 0.5391247062260945
Energy: 0.4758623951407487
Energy: 0.5391247062260945
Energy: 0.46285603284303495
Energy: 0.48881601138845776
Energy: 0.4628560328434967
Energy: 0.4888160113879961
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Energy: 0.5368169288762719
Energy: 0.488876621748516
Energy: 0.5368169288767337
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Energy: 0.5368169288762719
Energy: 0.488876621748516
Energy: 0.47782213197049644
Energy: 0.5271657419471609
Energy: 0.47782213197003476
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Energy: 0.47782213197049644
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Energy: 0.5543106398743769
Energy: 0.5500145607854139
Energy: 0.5543106398748386
Energy: 0.5500145607854139
Energy: 0.5543106398748386
Energy: 0.5500145607849523
Energy: 0.491671655652796
Energy: 0.4806681304127251
Energy: 0.4916716556537195
Energy: 0.4806681304127251
Energy: 0.49167165565325777
Energy: 0.4806681304127251
Energy: 0.49665165820682644
Energy: 0.5374202863111115
Energy: 0.49665165820682644
Energy: 0.5374202863111115
Energy: 0.4966516582049796
Energy: 0.5374202863111115
Energy: 0.4689093331375941
Energy: 0.4844022998758969
Energy: 0.4689093331375941
Energy: 0.4844022998758969
Energy: 0.4689093331375941
Energy: 0.4844022998758969
Energy: 0.5504101657208866
Energy: 0.5037332516500446
Energy: 0.5504101657208866
Energy: 0.5037332516505063
Energy: 0.550410165720425
Energy: 0.5037332516505063
Energy: 0.5022099531956747
Energy: 0.5262897943382557
Energy: 0.5022099531961365
Energy: 0.5262897943382557
Energy: 0.5022099531956747
Energy: 0.526289794337794
Energy: 0.5349707812584467
Energy: 0.52300871868337
Energy: 0.5349707812579849
Energy: 0.5230087186829082
Energy: 0.5349707812584467
Energy: 0.52300871868337
Energy: 0.5149434774912632
Energy: 0.4974879346164359
Energy: 0.514943477491725
Energy: 0.4974879346164359
Energy: 0.514943477491725
Energy: 0.49748793461597424
Energy: 0.4799450572307664
Energy: 0.5349198784848979
Energy: 0.4799450572312281
Energy: 0.5349198784848979
Energy: 0.4799450572312281
Energy: 0.5349198784853595
Energy: 0.5024288880456721
Energy: 0.5060896022507527
Energy: 0.5024288880456721
Energy: 0.5060896022512142
Energy: 0.5024288880456721
Energy: 0.5060896022512142
Energy: 0.5298402738691256
Energy: 0.5028911947720621
Energy: 0.5298402738686638
Energy: 0.5028911947725239
Energy: 0.5298402738691256
Energy: 0.5028911947725239
Energy: 0.4775981055622097
Energy: 0.5467956892471475
Energy: 0.4775981055622097
Energy: 0.5467956892476092
Energy: 0.4775981055622097
Energy: 0.5467956892471475
Energy: 0.47931246020113
Energy: 0.4675582785730605
Energy: 0.47931246020113
Energy: 0.46755827857352217
Energy: 0.47931246020113
Energy: 0.4675582785730605
Energy: 0.5229714573822277
Energy: 0.5137269595223868
Energy: 0.5229714573826895
Energy: 0.51372695952054
Energy: 0.5229714573826895
Energy: 0.5137269595214634

minimum gb energy = 0.4615961240133976 eV
minimum distance =  2.60037502153173 Angstroms
sigma value = 57


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

Energy: 0.49670477434084814
Energy: 0.43780503713129426
Energy: 0.4967047743416698
Energy: 0.43780503713129426
Energy: 0.49670477434084814
Energy: 0.43780503713129426
Energy: 0.5178734754318931
Energy: 0.5353408040612865
Energy: 0.5178734754310713
Energy: 0.5353408040612865
Energy: 0.5178734754318931
Energy: 0.5353408040612865
Energy: 0.5213598860414287
Energy: 0.5181589348275409
Energy: 0.5213598860414287
Energy: 0.5181589348275409
Energy: 0.5213598860414287
Energy: 0.5181589348275409
Energy: 0.4959765484175939
Energy: 0.5603025742383597
Energy: 0.4959765484175939
Energy: 0.5603025742391626
Energy: 0.4959765484175939
Energy: 0.5603025742391626
Energy: 0.5214114924527657
Energy: 0.5182421708211188
Energy: 0.5214114924519442
Energy: 0.5182421708211188
Energy: 0.5214114924527657
Energy: 0.5182421708202972
Energy: 0.5177114815030686
Energy: 0.5084166713827047
Energy: 0.5177114815038901
Energy: 0.5084166713827047
Energy: 0.5177114815030686
Energy: 0.5084166713827047
Energy: 0.4967047743416698
Energy: 0.43780503713293756
Energy: 0.4967047743416698
Energy: 0.43780503713293756
Energy: 0.4967047743416698
Energy: 0.43780503713293756
Energy: 0.5178734754294282
Energy: 0.5353408040604648
Energy: 0.5178734754327147
Energy: 0.5353408040596432
Energy: 0.5178734754327147
Energy: 0.5353408040604648
Energy: 0.5213598860414287
Energy: 0.5181589348283625
Energy: 0.5213598860406071
Energy: 0.5181589348283625
Energy: 0.5213598860406071
Energy: 0.5181589348283625
Energy: 0.49597654841923716
Energy: 0.5371372993965571
Energy: 0.49597654841923716
Energy: 0.5371372993965571
Energy: 0.49597654841923716
Energy: 0.5371372993965571
Energy: 0.5214114924527657
Energy: 0.5182421708194757
Energy: 0.5214114924535873
Energy: 0.5182421708194757
Energy: 0.5214114924535873
Energy: 0.5182421708194757
Energy: 0.5177114815030686
Energy: 0.511057855383465
Energy: 0.517711481502247
Energy: 0.4697966088044364
Energy: 0.5177114815030686
Energy: 0.4697966088044364
Energy: 0.4967047743416698
Energy: 0.43780503713129426
Energy: 0.4967047743416698
Energy: 0.43780503713129426
Energy: 0.4967047743416698
Energy: 0.43780503713129426
Energy: 0.5178734754310713
Energy: 0.5353408040612865
Energy: 0.5178734754310713
Energy: 0.5353408040612865
Energy: 0.5178734754302498
Energy: 0.5353408040612865
Energy: 0.5213598860414287
Energy: 0.5181589348267193
Energy: 0.5213598860422504
Energy: 0.5181589348275409
Energy: 0.5213598860414287
Energy: 0.5181589348275409
Energy: 0.4959765484175939
Energy: 0.5371372993982003
Energy: 0.4959765484175939
Energy: 0.5371372993982003
Energy: 0.4959765484175939
Energy: 0.5371372993982003
Energy: 0.5214114924519442
Energy: 0.5182421708202972
Energy: 0.5214114924519442
Energy: 0.5182421708202972
Energy: 0.5214114924511225
Energy: 0.5182421708211188

minimum gb energy = 0.43780503713129426 eV
minimum distance =  2.63937385897836 Angstroms
sigma value = 9


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

Energy: 0.5006174230953397
Energy: 0.5479608520469007
Energy: 0.5006174230953397
Energy: 0.5479608520469007
Energy: 0.500617423094669
Energy: 0.5479608520469007
Energy: 0.5253644846155177
Energy: 0.5344085132659381
Energy: 0.5253644846148469
Energy: 0.5344085132672798
Energy: 0.5253644846148469
Energy: 0.5344085132666089
Energy: 0.5149667354637595
Energy: 0.4992377196610501
Energy: 0.5149667354644304
Energy: 0.4992377196610501
Energy: 0.5149667354644304
Energy: 0.4992377196610501
Energy: 0.4853291766834179
Energy: 0.5665344883301422
Energy: 0.4853291766840888
Energy: 0.5665344883301422
Energy: 0.4853291766834179
Energy: 0.5665344883301422
Energy: 0.49657551646920595
Energy: 0.5366042569378592
Energy: 0.4965755164698768
Energy: 0.5366042569378592
Energy: 0.4965755164698768
Energy: 0.5366042569371884
Energy: 0.5573845167197855
Energy: 0.5056063654981093
Energy: 0.5573845167197855
Energy: 0.5056063654981093
Energy: 0.5573845167191146
Energy: 0.5056063654981093
Energy: 0.4858842170568961
Energy: 0.5068383174526693
Energy: 0.4858842170562253
Energy: 0.5068383174519985
Energy: 0.4858842170568961
Energy: 0.5068383174519985
Energy: 0.547815258172113
Energy: 0.5083344299258504
Energy: 0.5478152581734547
Energy: 0.5083344299258504
Energy: 0.547815258172113
Energy: 0.5083344299258504
Energy: 0.6031053728779344
Energy: 0.5073189372885172
Energy: 0.6031053728772636
Energy: 0.5073189372885172
Energy: 0.6031053728779344
Energy: 0.5073189372878769
Energy: 0.48559425770185966
Energy: 0.5004242065368872
Energy: 0.48559425770185966
Energy: 0.5004242065388997
Energy: 0.48559425770253045
Energy: 0.5004242065382289
Energy: 0.5290397973909424
Energy: 0.5154372195677004
Energy: 0.5290397973902716
Energy: 0.5154372195677004
Energy: 0.5290397973902716
Energy: 0.5154372195677004
Energy: 0.5380115374045897
Energy: 0.49323763597492953
Energy: 0.5380115374052605
Energy: 0.49323763597492953
Energy: 0.5380115374052605
Energy: 0.49323763597492953
Energy: 0.4906084225961274
Energy: 0.5501280774961985
Energy: 0.4906084225947857
Energy: 0.5501280774961985
Energy: 0.49060842259545656
Energy: 0.5501280774961985
Energy: 0.49595270180544615
Energy: 0.5250482375476535
Energy: 0.49595270180410445
Energy: 0.5250482375483243
Energy: 0.4959527018047753
Energy: 0.5250482375476535
Energy: 0.5231383543233404
Energy: 0.5048041785746666
Energy: 0.5231383543240112
Energy: 0.5048041785746666
Energy: 0.5231383543233404
Energy: 0.5048041785746666
Energy: 0.5025453692230215
Energy: 0.5417287609393748
Energy: 0.5025453692223506
Energy: 0.5417287609400457
Energy: 0.5025453692223506
Energy: 0.541728760938704
Energy: 0.5382236319352233
Energy: 0.5372359169399555
Energy: 0.5382236319345525
Energy: 0.5372359169406264
Energy: 0.5382236319345525
Energy: 0.5372359169399555
Energy: 0.5660915871414108
Energy: 0.5116318054736378
Energy: 0.5660915871414108
Energy: 0.5116318054736378
Energy: 0.5660915871420816
Energy: 0.5116318054729669
Energy: 0.49535697828497505
Energy: 0.52482428421787
Energy: 0.4953569782856459
Energy: 0.52482428421787
Energy: 0.49535697828497505
Energy: 0.52482428421787
Energy: 0.5247984434204219
Energy: 0.5242747833690266
Energy: 0.5247984434204219
Energy: 0.5242747833743934
Energy: 0.5247984434204219
Energy: 0.5242747833743934
Energy: 0.538420897303852
Energy: 0.4923160708867123
Energy: 0.5384208973045228
Energy: 0.4923160708867123
Energy: 0.538420897303852
Energy: 0.4923160708867123

minimum gb energy = 0.4853291766834179 eV
minimum distance =  2.628290285143 Angstroms
sigma value = 27


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

Energy: 0.4446436441777636
Energy: 0.5003845790823996
Energy: 0.4446436441783291
Energy: 0.5003845790823996
Energy: 0.4446436441783291
Energy: 0.5003845790823996
Energy: 0.49523423956230006
Energy: 0.48152177953330333
Energy: 0.4952342395611691
Energy: 0.4815217795338688
Energy: 0.49523423956173457
Energy: 0.48152177953330333
Energy: 0.4954721165025742
Energy: 0.45415545310170674
Energy: 0.4954721164997469
Energy: 0.45415545310170674
Energy: 0.49547211650200873
Energy: 0.45415545310227223
Energy: 0.4447523742043455
Energy: 0.49598075237970407
Energy: 0.4447523742049109
Energy: 0.4959807523791387
Energy: 0.4447523742049109
Energy: 0.4959807523791387
Energy: 0.4807607197054254
Energy: 0.4778313905357034
Energy: 0.48076071970485995
Energy: 0.4778313905362689
Energy: 0.4807607197054254
Energy: 0.4778313905362689
Energy: 0.500725882118877
Energy: 0.4469115886974094
Energy: 0.500725882117746
Energy: 0.4469115886974094
Energy: 0.5007258821183116
Energy: 0.4469115886974094
Energy: 0.48096667149759664
Energy: 0.5086149016306156
Energy: 0.4809666714987276
Energy: 0.5086149016306156
Energy: 0.48096667149759664
Energy: 0.5086149016306156
Energy: 0.4962074108363144
Energy: 0.49650456307180085
Energy: 0.4962074108363144
Energy: 0.49650456307180085
Energy: 0.4962074108363144
Energy: 0.49650456307123536
Energy: 0.49573591077205337
Energy: 0.4473252801302577
Energy: 0.49573591077318435
Energy: 0.4473252801308232
Energy: 0.49573591077318435
Energy: 0.4473252801302577
Energy: 0.4448070269381663
Energy: 0.49644685182502196
Energy: 0.4448070269381663
Energy: 0.49644685182502196
Energy: 0.4448070269381663
Energy: 0.49644685182502196
Energy: 0.44466709124553844
Energy: 0.49654404652219725
Energy: 0.4446670912466694
Energy: 0.49654404652219725
Energy: 0.44466709124610393
Energy: 0.49654404652219725
Energy: 0.4958591211439573
Energy: 0.4473490371913434
Energy: 0.4958591211445228
Energy: 0.4473490371913434
Energy: 0.4958591211445228
Energy: 0.4473490371913434
Energy: 0.4961951356370681
Energy: 0.49651206990629027
Energy: 0.49619513563593715
Energy: 0.49651206990629027
Energy: 0.49619513563650264
Energy: 0.49651206990629027
Energy: 0.4810340178122932
Energy: 0.5085824201405267
Energy: 0.4810340178128587
Energy: 0.5085824201399612
Energy: 0.4810340178134242
Energy: 0.5085824201405267
Energy: 0.5006861655810058
Energy: 0.4472417779185375
Energy: 0.5006861655804403
Energy: 0.4472417779185375
Energy: 0.5006861655810058
Energy: 0.4472417779185375
Energy: 0.48069596522878333
Energy: 0.4778239492384821
Energy: 0.4806959652293488
Energy: 0.4778239492384821
Energy: 0.48069596522878333
Energy: 0.4778239492384821
Energy: 0.44461031535424184
Energy: 0.5109233406066042
Energy: 0.44461031535424184
Energy: 0.5109233406060386
Energy: 0.4446103153565037
Energy: 0.5109233406054732
Energy: 0.49547183776933573
Energy: 0.45421535190120893
Energy: 0.4954718377704667
Energy: 0.45421535190120893
Energy: 0.4954718377699012
Energy: 0.45421535190233986
Energy: 0.4957339506506533
Energy: 0.48167160432897455
Energy: 0.4957339506506533
Energy: 0.48167160432954004
Energy: 0.4957339506495224
Energy: 0.48167160432897455
Energy: 0.4446436441783291
Energy: 0.5003845790823996
Energy: 0.4446436441783291
Energy: 0.5003845790823996
Energy: 0.4446436441777636
Energy: 0.5003845790823996
Energy: 0.4952342395611691
Energy: 0.48152177953330333
Energy: 0.4952342395611691
Energy: 0.4815217795338688
Energy: 0.49523423956173457
Energy: 0.4815217795338688
Energy: 0.4954721165003123
Energy: 0.45415545310170674
Energy: 0.4954721165003123
Energy: 0.45415545310227223
Energy: 0.49547211650200873
Energy: 0.45415545310227223
Energy: 0.4447523742049109
Energy: 0.49598075238026956
Energy: 0.4447523742049109
Energy: 0.49598075238083505
Energy: 0.4447523742049109
Energy: 0.49598075238026956
Energy: 0.48076071970485995
Energy: 0.4778313905357034
Energy: 0.48076071970485995
Energy: 0.4778313905362689
Energy: 0.48076071970485995
Energy: 0.4778313905362689
Energy: 0.5007258821194426
Energy: 0.4469115886979748
Energy: 0.5007258821183116
Energy: 0.4469115886974094
Energy: 0.5007258821183116
Energy: 0.4469115886979748

minimum gb energy = 0.44461031535424184 eV
minimum distance =  2.65784150737643 Angstroms
sigma value = 19


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

Energy: 0.4538214852195615
Energy: 0.5402820303369429
Energy: 0.4538214852195615
Energy: 0.5402820303369429
Energy: 0.4538214852190735
Energy: 0.5402820303369429
Energy: 0.5090391523687182
Energy: 0.5034441319250214
Energy: 0.5090391523696944
Energy: 0.5034441319250214
Energy: 0.5090391523701826
Energy: 0.5034441319250214
Energy: 0.5801253240516817
Energy: 0.44541524670588245
Energy: 0.5801253240516817
Energy: 0.44541524670588245
Energy: 0.5801253240516817
Energy: 0.44541524670588245
Energy: 0.44287582152065325
Energy: 0.5328226197795259
Energy: 0.4428758215211414
Energy: 0.532822619780014
Energy: 0.44287582152065325
Energy: 0.532822619780014
Energy: 0.4881852101855672
Energy: 0.5112344380533173
Energy: 0.48818521018605526
Energy: 0.5112344380533173
Energy: 0.48818521018605526
Energy: 0.5112344380533173
Energy: 0.5328788446428685
Energy: 0.44148594743659486
Energy: 0.5328788446428685
Energy: 0.44148594743610675
Energy: 0.5328788446428685
Energy: 0.44148594743610675
Energy: 0.45150698552665647
Energy: 0.5475326293536937
Energy: 0.4515069855256802
Energy: 0.5475326293541818
Energy: 0.45150698552616836
Energy: 0.5475326293536937
Energy: 0.4742922819566962
Energy: 0.5423168054937563
Energy: 0.4742922819571843
Energy: 0.5423168054932682
Energy: 0.4742922819562081
Energy: 0.5423168054932682
Energy: 0.554138473980663
Energy: 0.43448943632949866
Energy: 0.554138473980663
Energy: 0.43448943632949866
Energy: 0.554138473980663
Energy: 0.43448943632949866
Energy: 0.502033690919862
Energy: 0.508789821523565
Energy: 0.502033690919862
Energy: 0.508789821523565
Energy: 0.502033690919862
Energy: 0.508789821523565
Energy: 0.43572760955691303
Energy: 0.5793137538097536
Energy: 0.43572760955691303
Energy: 0.5793137538097536
Energy: 0.43572760955691303
Energy: 0.5793137538097536
Energy: 0.5524698251656648
Energy: 0.4460980475756796
Energy: 0.5524698251651766
Energy: 0.4460980475756796
Energy: 0.5524698251661528
Energy: 0.4460980475756796
Energy: 0.5162685350373656
Energy: 0.4939001004914436
Energy: 0.5162685350368775
Energy: 0.4939001004914436
Energy: 0.5162685350373656
Energy: 0.4939001004914436
Energy: 0.44053523833844943
Energy: 0.5363011088887983
Energy: 0.44053523833844943
Energy: 0.5363011088892864
Energy: 0.44053523833844943
Energy: 0.5363011088892864
Energy: 0.5017272307064777
Energy: 0.43935773548606255
Energy: 0.5017272307069659
Energy: 0.43935773548752693
Energy: 0.5017272307064777
Energy: 0.43935773548606255
Energy: 0.5781670038848461
Energy: 0.4344969576076418
Energy: 0.5781670038843579
Energy: 0.4344969576076418
Energy: 0.5781670038848461
Energy: 0.4344969576076418
Energy: 0.4484325610179138
Energy: 0.5233079126120573
Energy: 0.4484325610179138
Energy: 0.5233079126120573
Energy: 0.4484325610179138
Energy: 0.5233079126115693
Energy: 0.49033598752509083
Energy: 0.5292164701402763
Energy: 0.4903359875246027
Energy: 0.5292164701407643
Energy: 0.49033598752509083
Energy: 0.5292164701402763
Energy: 0.5332803112590957
Energy: 0.44100228369063427
Energy: 0.5332803112590957
Energy: 0.44100228369063427
Energy: 0.5332803112590957
Energy: 0.4410022836901461
Energy: 0.44791989623321854
Energy: 0.5103718058093404
Energy: 0.4479198962337067
Energy: 0.5103718058098284
Energy: 0.4479198962337067
Energy: 0.5103718058098284
Energy: 0.44197890751378727
Energy: 0.5801671421898954
Energy: 0.44197890751329916
Energy: 0.5801671421903835
Energy: 0.44197890751329916
Energy: 0.5801671421903835
Energy: 0.5710103808446348
Energy: 0.445247990815155
Energy: 0.5710103808446348
Energy: 0.445247990815155
Energy: 0.5710103808446348
Energy: 0.445247990815155
Energy: 0.5151187472089396
Energy: 0.4859370917981475
Energy: 0.5151187472089396
Energy: 0.4859370917981475
Energy: 0.5151187472099158
Energy: 0.4859370917976594
Energy: 0.4547207916356194
Energy: 0.5522208089791465
Energy: 0.4547207916356194
Energy: 0.5522208089791465
Energy: 0.4547207916356194
Energy: 0.5522208089796347
Energy: 0.5081973835774671
Energy: 0.4452728062863424
Energy: 0.5081973835774671
Energy: 0.4452728062863424
Energy: 0.508197383576979
Energy: 0.4452728062863424
Energy: 0.5092134505270836
Energy: 0.4436682138435354
Energy: 0.5092134505256192
Energy: 0.4436682138435354
Energy: 0.5092134505270836
Energy: 0.44366821384304733
Energy: 0.4382712126501206
Energy: 0.5234913869646919
Energy: 0.4382712126501206
Energy: 0.5234913869642038
Energy: 0.4382712126501206
Energy: 0.5234913869651799
Energy: 0.5348069561903724
Energy: 0.44114412361860844
Energy: 0.5348069561898843
Energy: 0.44114412361860844
Energy: 0.5348069561903724
Energy: 0.44114412361860844
Energy: 0.5200564529453187
Energy: 0.4410351307455418
Energy: 0.5200564529448305
Energy: 0.4410351307455418
Energy: 0.5200564529448305
Energy: 0.4410351307455418

minimum gb energy = 0.43448943632949866 eV
minimum distance =  2.6305275300591 Angstroms
sigma value = 101


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

Energy: 0.4347816965232371
Energy: 0.5460732627479121
Energy: 0.4347816965232371
Energy: 0.5460732627479121
Energy: 0.4347816965232371
Energy: 0.5460732627479121
Energy: 0.5282492627687314
Energy: 0.4693364853792157
Energy: 0.5282492627695895
Energy: 0.4693364853792157
Energy: 0.5282492627683023
Energy: 0.4693364853792157
Energy: 0.5348857067191654
Energy: 0.42441603187188964
Energy: 0.5348857067191654
Energy: 0.4244160318723187
Energy: 0.5348857067195943
Energy: 0.4244160318723187
Energy: 0.41858779561690074
Energy: 0.5968109888331893
Energy: 0.4185877956173298
Energy: 0.5968109888331893
Energy: 0.4185877956173298
Energy: 0.5968109888331893
Energy: 0.4235477656365705
Energy: 0.4975557155802724
Energy: 0.4235477656361414
Energy: 0.4975557155802724
Energy: 0.42354776563571234
Energy: 0.4975557155802724
Energy: 0.5306655204457303
Energy: 0.4181409338315594
Energy: 0.5306655204457303
Energy: 0.4181409338315594
Energy: 0.5306655204453011
Energy: 0.4181409338315594
Energy: 0.4279034055005654
Energy: 0.532932763988604
Energy: 0.4279034055009944
Energy: 0.5329327639877459
Energy: 0.4279034055005654
Energy: 0.5329327639894622
Energy: 0.4240893446023267
Energy: 0.5437805374213766
Energy: 0.4240893446023267
Energy: 0.5437805374209475
Energy: 0.4240893446023267
Energy: 0.5437805374205184
Energy: 0.5307003104999217
Energy: 0.4190083407868966
Energy: 0.5307003104999217
Energy: 0.4190083407864675
Energy: 0.5307003104994925
Energy: 0.4190083407868966
Energy: 0.4814442026671383
Energy: 0.4592157968106792
Energy: 0.4814442026671383
Energy: 0.45921579681196645
Energy: 0.4814442026675674
Energy: 0.5363451382218457
Energy: 0.41740359675094496
Energy: 0.5890811083528743
Energy: 0.41740359675094496
Energy: 0.5890811083533033
Energy: 0.41740359675094496
Energy: 0.5890811083533033
Energy: 0.6041061645360852
Energy: 0.4603796010731896
Energy: 0.6041061645369432
Energy: 0.4603796010731896
Energy: 0.6041061645365142
Energy: 0.4603796010731896
Energy: 0.5374428800846854
Energy: 0.42443368797963116
Energy: 0.5374428800846854
Energy: 0.42443368797963116
Energy: 0.5374428800842563
Energy: 0.42443368797963116
Energy: 0.4377956353043647
Energy: 0.5645740684975268
Energy: 0.4377956353043647
Energy: 0.5645740684970977
Energy: 0.43779563530350646
Energy: 0.5645740684970977
Energy: 0.43656960980492454
Energy: 0.4587026374743988
Energy: 0.4365696098057827
Energy: 0.4587026374743988
Energy: 0.43656960980449544
Energy: 0.4587026374739698
Energy: 0.5362490603780551
Energy: 0.42610625240548733
Energy: 0.5362490603780551
Energy: 0.4261062524050583
Energy: 0.5362490603780551
Energy: 0.42610625240548733
Energy: 0.4173953913545774
Energy: 0.5978265463764829
Energy: 0.4173953913545774
Energy: 0.5978265463764829
Energy: 0.4173953913541483
Energy: 0.5978265463764829
Energy: 0.41726138612444047
Energy: 0.4968482671604599
Energy: 0.41726138612444047
Energy: 0.4968482671608888
Energy: 0.41726138612444047
Energy: 0.4968482671600308
Energy: 0.5298161168241855
Energy: 0.4189906897725539
Energy: 0.5298161168250437
Energy: 0.4189906897725539
Energy: 0.5298161168241855
Energy: 0.4189906897725539
Energy: 0.42789097740812126
Energy: 0.460248969917378
Energy: 0.42789097740683396
Energy: 0.4602489699190943
Energy: 0.42789097740812126
Energy: 0.46024896991823616
Energy: 0.42578248954325676
Energy: 0.5976475709842998
Energy: 0.42578248954325676
Energy: 0.5976475709842998
Energy: 0.42578248954325676
Energy: 0.5976475709842998
Energy: 0.5944907963398947
Energy: 0.41849799442010394
Energy: 0.5944907963398947
Energy: 0.41849799442010394
Energy: 0.5944907963403236
Energy: 0.41849799442010394
Energy: 0.5369965666665113
Energy: 0.41791700202300824
Energy: 0.5369965666660822
Energy: 0.41791700202343735
Energy: 0.5369965666665113
Energy: 0.41791700202343735
Energy: 0.4186166667466978
Energy: 0.5487570766439314
Energy: 0.4186166667471269
Energy: 0.5487570766430733
Energy: 0.41861666674626874
Energy: 0.5487570766435024
Energy: 0.45093023001825316
Energy: 0.4321184255580852
Energy: 0.45093023001567867
Energy: 0.432118425557227
Energy: 0.4509302300148205
Energy: 0.4321184255580852
Energy: 0.537687518498248
Energy: 0.4260495407095168
Energy: 0.5376875184978188
Energy: 0.42604954070994583
Energy: 0.5376875184978188
Energy: 0.42604954070994583
Energy: 0.43489620502744913
Energy: 0.5650042860191308
Energy: 0.43489620502744913
Energy: 0.5650042860191308
Energy: 0.4348962050270201
Energy: 0.5650042860187017
Energy: 0.4356185526572717
Energy: 0.4899259521192789
Energy: 0.43561855265641347
Energy: 0.4899259521179917
Energy: 0.43561855265641347
Energy: 0.4899259521192789
Energy: 0.5326506711679596
Energy: 0.4243713596852548
Energy: 0.5326506711679596
Energy: 0.4243713596852548
Energy: 0.5326506711675306
Energy: 0.4243713596852548
Energy: 0.41496726422259256
Energy: 0.4490460806008344
Energy: 0.41496726422216346
Energy: 0.44904608060169254
Energy: 0.4149672642217344
Energy: 0.4490460806008344
Energy: 0.41742935463981934
Energy: 0.5297006087224693
Energy: 0.4174293546406775
Energy: 0.5297006087224693
Energy: 0.41742935463981934
Energy: 0.5297006087224693
Energy: 0.5514323060949848
Energy: 0.41839946805987077
Energy: 0.5514323060945557
Energy: 0.4183994680602999
Energy: 0.5514323060949848
Energy: 0.41839946805987077
Energy: 0.5314739915643796
Energy: 0.41842242749710934
Energy: 0.5314739915648086
Energy: 0.41842242749710934
Energy: 0.5314739915643796
Energy: 0.41842242749710934

minimum gb energy = 0.4149672642217344 eV
minimum distance =  2.64502962033286 Angstroms
sigma value = 33


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

Energy: 0.011810738519548416
Energy: 0.6289015868899099
Energy: 0.011810738519548416
Energy: 0.6289015868899099
Energy: 0.011810738519548416
Energy: 0.6289015868899099
Energy: 0.012391243238758563
Energy: 0.18412394785044545
Energy: 0.012391243238402062
Energy: 0.18412394785044545
Energy: 0.012391243238758563
Energy: 0.18412394785080194
Energy: 0.7969494838359235
Energy: 0.1845290827141827
Energy: 0.7969494838366166
Energy: 0.1845290827148759
Energy: 0.7969494838373099
Energy: 0.1845290827148759
Energy: 0.012391243237372165
Energy: 0.1841239478514951
Energy: 0.012391243238065364
Energy: 0.18412394785044545
Energy: 0.012391243237372165
Energy: 0.18412394785044545

minimum gb energy = 0.011810738519548416 eV
minimum distance =  2.832341436596 Angstroms
sigma value = 1