Model name: model_name=EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
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=4.128871455788613
cohesive_energy=3.7144354827541424
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: 0.011007329360866121
Energy: 0.35601434729366616
Energy: 0.011007329360625718
Energy: 0.3560143472934258
Energy: 0.011007329360625718
Energy: 0.35601434729366616
Energy: 0.35601434729366616
Energy: 0.2584053868274786
Energy: 0.3560143472934258
Energy: 0.258405386827719
Energy: 0.3560143472934258
Energy: 0.258405386827719
Energy: 0.011007329360625718
Energy: 0.3560143472934258
Energy: 0.011007329360385313
Energy: 0.35601434729366616
Energy: 0.011007329360866121
Energy: 0.3560143472939066
Energy: 0.35601434729366616
Energy: 0.2584053868274786
Energy: 0.3560143472934258
Energy: 0.4023733408846395
Energy: 0.35601434729366616
Energy: 0.49073682321484907
Energy: 0.011007329360625718
Energy: 0.35601434729366616
Energy: 0.011007329360144912
Energy: 0.35601434729366616
Energy: 0.011007329360625718
Energy: 0.35601434729366616
Energy: 0.35601434729366616
Energy: 0.258405386827719
Energy: 0.35601434729366616
Energy: 0.49073682321530315
Energy: 0.35601434729366616
Energy: 0.2584053868274786

minimum gb energy = 0.011007329360144912 eV
minimum distance =  2.88251718634039 Angstroms
sigma value = 1


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

Energy: 0.5113447422978437
Energy: 0.46615177360984533
Energy: 0.5113447422978437
Energy: 0.46615177361158133
Energy: 0.5113447422978437
Energy: 0.4661517736110027
Energy: 0.526804536697182
Energy: 0.44231899512751716
Energy: 0.5268045366994967
Energy: 0.44231899512751716
Energy: 0.5268045366966033
Energy: 0.44231899512751716
Energy: 0.4842965329726898
Energy: 0.49154594965887405
Energy: 0.4842965329726898
Energy: 0.49154594965887405
Energy: 0.4842965329726898
Energy: 0.4915459496548233
Energy: 0.5236959176756562
Energy: 0.46144085307536237
Energy: 0.5236959176739464
Energy: 0.4614408530747836
Energy: 0.5236959176739464
Energy: 0.4614408530747836
Energy: 0.47590459492024073
Energy: 0.5145503258900788
Energy: 0.4759045949190834
Energy: 0.5145503258906575
Energy: 0.4759045949196621
Energy: 0.5145503258906575
Energy: 0.49035834083224916
Energy: 0.45399168675036466
Energy: 0.49035834083282775
Energy: 0.4539916867509433
Energy: 0.49035834083224916
Energy: 0.4539916867509433
Energy: 0.46051578531480875
Energy: 0.5007008201028026
Energy: 0.46051578531538745
Energy: 0.5007008201022239
Energy: 0.46051578531538745
Energy: 0.5007008201016451
Energy: 0.46385606682956415
Energy: 0.5387692703599607
Energy: 0.4638560668301428
Energy: 0.5387692703588034
Energy: 0.46385606682898545
Energy: 0.538769270359382
Energy: 0.5015160211026259
Energy: 0.4960411618250387
Energy: 0.5015160211037833
Energy: 0.49604116182446006
Energy: 0.5015160211020473
Energy: 0.49604116182446006
Energy: 0.4332487987535989
Energy: 0.5196257094229577
Energy: 0.4332487987530202
Energy: 0.5196257096369644
Energy: 0.43324879875417754
Energy: 0.5196257096149747
Energy: 0.48607942135107113
Energy: 0.4481825344787812
Energy: 0.48607942135164983
Energy: 0.44818253447935996
Energy: 0.4860794213504924
Energy: 0.4481825344787812
Energy: 0.43316988873708945
Energy: 0.4722866654196059
Energy: 0.43316988873708945
Energy: 0.47227380101587196
Energy: 0.43316988873708945
Energy: 0.47205898734500795
Energy: 0.5277402840771181
Energy: 0.4285413352409121
Energy: 0.5277402840771181
Energy: 0.4285413352409121
Energy: 0.5277402840765657
Energy: 0.4285413352414907
Energy: 0.4610075612260126
Energy: 0.46055600957989556
Energy: 0.4610075612265913
Energy: 0.46055600957931697
Energy: 0.4610075612265913
Energy: 0.46055600957989556
Energy: 0.5594173283882539
Energy: 0.44046429827415406
Energy: 0.5594173283876752
Energy: 0.44046429827415406
Energy: 0.5594173283888325
Energy: 0.44046429827357536
Energy: 0.5538901338405999
Energy: 0.49841189911012795
Energy: 0.5538901338411786
Energy: 0.4984118991089706
Energy: 0.5538901338400212
Energy: 0.49841189910665584
Energy: 0.4889692524289634
Energy: 0.4846131603722793
Energy: 0.4889692524289634
Energy: 0.4846131603717006
Energy: 0.48896925242780603
Energy: 0.4846131603722793
Energy: 0.48259461740956394
Energy: 0.4759600760249779
Energy: 0.48259461741187865
Energy: 0.4759600760261353
Energy: 0.48259461740667053
Energy: 0.4759600760255566
Energy: 0.434416615464234
Energy: 0.463398565805696
Energy: 0.43441661546249793
Energy: 0.463398565805696
Energy: 0.43441661546249793
Energy: 0.46339856580222394
Energy: 0.5077088753027469
Energy: 0.45349809236672495
Energy: 0.5077088753027469
Energy: 0.45349809236614624
Energy: 0.5077088753044829
Energy: 0.45349809236672495
Energy: 0.4504419007368107
Energy: 0.5159366555854618
Energy: 0.45044190073623197
Energy: 0.5159366555860405
Energy: 0.4504419007368107
Energy: 0.5159366555895125
Energy: 0.4941085631594657
Energy: 0.4941226317672628
Energy: 0.494108563158887
Energy: 0.4941226317672628
Energy: 0.49410856316004437
Energy: 0.4941226317672628
Energy: 0.42955552221122645
Energy: 0.5255639998469636
Energy: 0.42955552221122645
Energy: 0.5255639998492782
Energy: 0.42955552221064774
Energy: 0.5255639998498569

minimum gb energy = 0.4285413352409121 eV
minimum distance =  2.6180772686965 Angstroms
sigma value = 33


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

Energy: 0.5158805261782435
Energy: 0.5167947255835482
Energy: 0.4939535188336161
Energy: 0.5167947255832191
Energy: 0.5158805261785726
Energy: 0.516794725587169
Energy: 0.5118687162250879
Energy: 0.4654219621804337
Energy: 0.5118687162234422
Energy: 0.4654219621807628
Energy: 0.5118687162267038
Energy: 0.4654219621817503
Energy: 0.44410638082750375
Energy: 0.4639127776412128
Energy: 0.4441063808278329
Energy: 0.463912777641542
Energy: 0.44410638082750375
Energy: 0.4639127776408837
Energy: 0.5347160836080016
Energy: 0.5056069386198137
Energy: 0.534716083608989
Energy: 0.5056069386198137
Energy: 0.5347160836086599
Energy: 0.5056069386211303
Energy: 0.48591892937067105
Energy: 0.5125970548171452
Energy: 0.48591892936968356
Energy: 0.5125970548174744
Energy: 0.48591892937132936
Energy: 0.5125970548184619
Energy: 0.47248246046898257
Energy: 0.4417241823373923
Energy: 0.47248246046766595
Energy: 0.4417241823370631
Energy: 0.47248246046865344
Energy: 0.4417241823396964
Energy: 0.5221503546194375
Energy: 0.4991689823453672
Energy: 0.522150354620395
Energy: 0.49916898234569634
Energy: 0.5221503546207242
Energy: 0.4991689823535961
Energy: 0.4223383700640663
Energy: 0.516700645863126
Energy: 0.42233837006143315
Energy: 0.5167006458575304
Energy: 0.42233837006439545
Energy: 0.5167006458627968
Energy: 0.44744586857497765
Energy: 0.4423738200510949
Energy: 0.447445868575636
Energy: 0.4423738200510949
Energy: 0.44744586857497765
Energy: 0.4423738200533989
Energy: 0.431785670134507
Energy: 0.5512567629979479
Energy: 0.43177969294538776
Energy: 0.551256762996302
Energy: 0.431785670134507
Energy: 0.5512567629926814
Energy: 0.541245183263523
Energy: 0.42889389839547415
Energy: 0.541245183263523
Energy: 0.42889389839547415
Energy: 0.5412451832628646
Energy: 0.42889389839646164
Energy: 0.44083431001815243
Energy: 0.46541015152556253
Energy: 0.4408342226325731
Energy: 0.46541015152556253
Energy: 0.44083431001782325
Energy: 0.4654101515258917
Energy: 0.495457612398207
Energy: 0.4367749792932188
Energy: 0.49545761239985275
Energy: 0.4367749792932188
Energy: 0.4954576123965612
Energy: 0.4367749792951937
Energy: 0.49737273385009145
Energy: 0.5191987052680165
Energy: 0.49737273385239544
Energy: 0.5191987052673582
Energy: 0.49737273385042063
Energy: 0.5191987052676874
Energy: 0.49457657419104056
Energy: 0.46483521920996623
Energy: 0.4945765741900531
Energy: 0.46483521921062454
Energy: 0.4945765741923572
Energy: 0.46483521920832055
Energy: 0.4414850198806595
Energy: 0.4637608843655719
Energy: 0.4414850198800012
Energy: 0.4637608843662302
Energy: 0.4414850198806595
Energy: 0.46376088436326784
Energy: 0.5159605728353586
Energy: 0.49762481931457875
Energy: 0.5159605728376626
Energy: 0.49762481931457875
Energy: 0.5159605728370042
Energy: 0.49762481931457875
Energy: 0.4811049781938724
Energy: 0.44164658217897473
Energy: 0.4811049781945307
Energy: 0.4416465821793039
Energy: 0.4811049781958473
Energy: 0.4416465821786456
Energy: 0.4732552228205161
Energy: 0.48130474921151956
Energy: 0.4732552228195286
Energy: 0.48130474920888633
Energy: 0.4732552228211744
Energy: 0.4813047492108612
Energy: 0.5175333635618634
Energy: 0.4946966588273836
Energy: 0.5175333635621926
Energy: 0.4946966588273836
Energy: 0.5175333635615342
Energy: 0.4946966588250797
Energy: 0.41932917114047885
Energy: 0.5141993032781601
Energy: 0.41932917114113716
Energy: 0.5141993032363577
Energy: 0.41932917114047885
Energy: 0.5141993027928704
Energy: 0.4634590779094488
Energy: 0.44255881457790563
Energy: 0.46345907791142366
Energy: 0.44255881457790563
Energy: 0.46345907791076535
Energy: 0.4425588145742849
Energy: 0.4271800408845693
Energy: 0.4969775078388415
Energy: 0.4271714311749128
Energy: 0.49696996589503284
Energy: 0.4271800408845693
Energy: 0.49680740263751355
Energy: 0.5372657269228984
Energy: 0.4826123082934361
Energy: 0.537265726921911
Energy: 0.4826123082934361
Energy: 0.5372657269222402
Energy: 0.48261230829244867
Energy: 0.4442183940360648
Energy: 0.5184047280502557
Energy: 0.44432044086358535
Energy: 0.5184047280499265
Energy: 0.4442183940360648
Energy: 0.5184047280463059
Energy: 0.5166734878838877
Energy: 0.5280060768634168
Energy: 0.4945253655599177
Energy: 0.5280060768630876
Energy: 0.5166734878927449
Energy: 0.5280060768634168
Energy: 0.5167038172519666
Energy: 0.5196151289735197
Energy: 0.494416451116482
Energy: 0.5196151289728613
Energy: 0.5167038172522957
Energy: 0.5196151289728613
Energy: 0.4443842607618045
Energy: 0.44828345542603004
Energy: 0.4443842607611462
Energy: 0.44828345542504255
Energy: 0.4443842607618045
Energy: 0.4482834554240551
Energy: 0.49514675337599645
Energy: 0.4651388467472192
Energy: 0.49514675384779083
Energy: 0.46513884674754835
Energy: 0.4951467537494043
Energy: 0.46513884674886496
Energy: 0.4271769795313571
Energy: 0.5413009114144262
Energy: 0.4271769795277364
Energy: 0.5413009114196925
Energy: 0.4271769795310279
Energy: 0.5413009114009308
Energy: 0.4812472048281933
Energy: 0.44239738035693194
Energy: 0.48124720482720584
Energy: 0.4423973803572611
Energy: 0.48124720482687666
Energy: 0.4423973803566028
Energy: 0.43572583971388945
Energy: 0.498079255182918
Energy: 0.435725839715206
Energy: 0.4980792551825889
Energy: 0.43572583971388945
Energy: 0.49807925518028473
Energy: 0.5174805262243513
Energy: 0.4947005307484688
Energy: 0.5174805262266554
Energy: 0.4947005307484688
Energy: 0.5174805262246804
Energy: 0.49470053074682313
Energy: 0.4681924579775025
Energy: 0.49438518646077734
Energy: 0.4681924579771733
Energy: 0.49438518646275226
Energy: 0.4681924579775025
Energy: 0.49438518646341056
Energy: 0.4639955306730698
Energy: 0.44189849715923757
Energy: 0.4639955306760322
Energy: 0.4418984971595667
Energy: 0.4639955306743864
Energy: 0.44189849715857926
Energy: 0.5034616540047976
Energy: 0.5428037047283375
Energy: 0.5034616540031518
Energy: 0.5428037047286666
Energy: 0.5034616540051268
Energy: 0.5428037047283375
Energy: 0.44150423659095406
Energy: 0.4811436721001251
Energy: 0.44151485437541604
Energy: 0.48114367209913766
Energy: 0.44150423659095406
Energy: 0.48114367210078335
Energy: 0.48122452128605675
Energy: 0.4723355623742969
Energy: 0.48122452129096416
Energy: 0.47233556237396773
Energy: 0.48122452128704424
Energy: 0.4723355623706762
Energy: 0.4973518170660354
Energy: 0.5190840657805359
Energy: 0.49735181706471876
Energy: 0.5190840657792193
Energy: 0.4973518170660354
Energy: 0.5190840657795485
Energy: 0.5170676421753976
Energy: 0.42009495783357337
Energy: 0.5170676421760559
Energy: 0.42009495783357337
Energy: 0.5170676421757268
Energy: 0.4200949578365358
Energy: 0.4409109118704498
Energy: 0.44627087150074074
Energy: 0.44091091186748743
Energy: 0.4462708715004116
Energy: 0.4409109118701206
Energy: 0.4462708715063364

minimum gb energy = 0.41932917114047885 eV
minimum distance =  2.73666696434671 Angstroms
sigma value = 51


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

Energy: 0.5053721388430759
Energy: 0.4952200563973953
Energy: 0.5053721388423132
Energy: 0.49522005639815786
Energy: 0.5053721388430759
Energy: 0.49522005639815786
Energy: 0.5210534801728653
Energy: 0.4616185919929678
Energy: 0.521053480173628
Energy: 0.4616185919929678
Energy: 0.5210534801743905
Energy: 0.4616185919929678
Energy: 0.4680717798749559
Energy: 0.49323274906954195
Energy: 0.4680717798741933
Energy: 0.49323274906954195
Energy: 0.4680717798741933
Energy: 0.4932327490703046
Energy: 0.4800323500187434
Energy: 0.43030803021686953
Energy: 0.4800323500179807
Energy: 0.43030803021686953
Energy: 0.4800323500179807
Energy: 0.43030803021686953
Energy: 0.4962510206128685
Energy: 0.4787477670117463
Energy: 0.4962510206121059
Energy: 0.47874776700793314
Energy: 0.4962510206128685
Energy: 0.4787477670086958
Energy: 0.49492717505148465
Energy: 0.47834274803581023
Energy: 0.4949271750522473
Energy: 0.47834274803504756
Energy: 0.49492717505148465
Energy: 0.4783427480365729
Energy: 0.47930808697142807
Energy: 0.47826951463634737
Energy: 0.47930808697142807
Energy: 0.4782695146378726
Energy: 0.47930808697219074
Energy: 0.47826951463863526
Energy: 0.4495136558960929
Energy: 0.4799307382735612
Energy: 0.4495136558976182
Energy: 0.4799307382705106
Energy: 0.44951365589685555
Energy: 0.4799307382705106
Energy: 0.5518808017095399
Energy: 0.42812184285427585
Energy: 0.5518808017080146
Energy: 0.42812184285427585
Energy: 0.5518808017087773
Energy: 0.42812184285427585
Energy: 0.4466437270563081
Energy: 0.5664468582790624
Energy: 0.4466437270563081
Energy: 0.5664468582798251
Energy: 0.4466437270563081
Energy: 0.5664468582790624
Energy: 0.5211787093613022
Energy: 0.42976447336794793
Energy: 0.5211787093605396
Energy: 0.42976447336794793
Energy: 0.5211787093613022
Energy: 0.42976447336718526
Energy: 0.5069127022971475
Energy: 0.4962348253843572
Energy: 0.5069127022971475
Energy: 0.4962348253843572
Energy: 0.5069127022971475
Energy: 0.4962348253835946
Energy: 0.5677473133224225
Energy: 0.46144288516226223
Energy: 0.5677473133224225
Energy: 0.46144288516226223
Energy: 0.5677473133208971
Energy: 0.46144288516226223
Energy: 0.4640052052630661
Energy: 0.46370454932842886
Energy: 0.4640052052630661
Energy: 0.4637045493291915
Energy: 0.4640052052630661
Energy: 0.4637045493291915
Energy: 0.47830241253895484
Energy: 0.4914170886299321
Energy: 0.4783024125397175
Energy: 0.4914170886299321
Energy: 0.4783024125397175
Energy: 0.4914170886299321
Energy: 0.4950382515402388
Energy: 0.4784051340858691
Energy: 0.49503825154100145
Energy: 0.47840513408510643
Energy: 0.49503825154252673
Energy: 0.47840513408510643
Energy: 0.49679071339110104
Energy: 0.5204148955435137
Energy: 0.49679071339110104
Energy: 0.5204148955419885
Energy: 0.49679071339033837
Energy: 0.5204148955419885
Energy: 0.47712558266637195
Energy: 0.4793094847864533
Energy: 0.47712558266713456
Energy: 0.47930948478721597
Energy: 0.47712558266637195
Energy: 0.47930948478721597

minimum gb energy = 0.42812184285427585 eV
minimum distance =  2.60879573468087 Angstroms
sigma value = 19


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

Energy: 0.44601019591667257
Energy: 0.43301587528412994
Energy: 0.42042011998533085
Energy: 0.43301587528412994
Energy: 0.44601019591667257
Energy: 0.4330158752845824
Energy: 0.4883874816997214
Energy: 0.49426894757160483
Energy: 0.48838748170017376
Energy: 0.4942689475711524
Energy: 0.48838748169926904
Energy: 0.49426894757341433
Energy: 0.40796007061992073
Energy: 0.49371331535220847
Energy: 0.407960070619016
Energy: 0.49371331535130375
Energy: 0.40796007061992073
Energy: 0.49371331535130375
Energy: 0.47469350773432195
Energy: 0.4102992248825598
Energy: 0.47469350773341723
Energy: 0.4102992248825598
Energy: 0.47469350773432195
Energy: 0.4102992248825598
Energy: 0.42885806548578
Energy: 0.4210271694631038
Energy: 0.42885806548578
Energy: 0.42102716946265134
Energy: 0.4288580654853276
Energy: 0.42102716946446084
Energy: 0.4016263135305524
Energy: 0.4209676355225406
Energy: 0.4016263135310048
Energy: 0.4209676355225406
Energy: 0.4016263135305524
Energy: 0.4209676355248024
Energy: 0.44187316672694266
Energy: 0.41015272316230106
Energy: 0.44187316672694266
Energy: 0.41015272316230106
Energy: 0.44187316672694266
Energy: 0.4101527231627534
Energy: 0.407967536688492
Energy: 0.5232839687413172
Energy: 0.40796600903141933
Energy: 0.5232839687426537
Energy: 0.407967536688492
Energy: 0.5232839687413172
Energy: 0.46902410696225066
Energy: 0.5059993925573069
Energy: 0.4690241069617983
Energy: 0.5059993925573069
Energy: 0.4690241069608936
Energy: 0.5059993925581912
Energy: 0.4204201199857832
Energy: 0.43301587528412994
Energy: 0.42042011998533085
Energy: 0.43301587528412994
Energy: 0.42042011998533085
Energy: 0.4330158752836776
Energy: 0.4883874816988167
Energy: 0.49426894757160483
Energy: 0.4883874816997214
Energy: 0.4942689475720572
Energy: 0.48838748169836427
Energy: 0.49426894757341433
Energy: 0.40796007062037315
Energy: 0.49371331535220847
Energy: 0.407960070619016
Energy: 0.4937133153517561
Energy: 0.40796007062037315
Energy: 0.4937133153499466
Energy: 0.47469350773341723
Energy: 0.4102931817332659
Energy: 0.47469350773251245
Energy: 0.41029318173281354
Energy: 0.47469350773341723
Energy: 0.4102931817341707
Energy: 0.42885806548442285
Energy: 0.42102716946265134
Energy: 0.4288580654853276
Energy: 0.421027169462199
Energy: 0.42885806548487526
Energy: 0.42102716946400853
Energy: 0.4016263135291953
Energy: 0.4209676355225406
Energy: 0.4016263135305524
Energy: 0.4209676355225406
Energy: 0.40162631352964767
Energy: 0.42096763552389765
Energy: 0.4418731667282998
Energy: 0.4101527231632058
Energy: 0.4418731667282998
Energy: 0.4101527231632058
Energy: 0.4418731667282998
Energy: 0.4101527231632058
Energy: 0.4081126542024348
Energy: 0.5232839687431061
Energy: 0.40795450781721143
Energy: 0.523283968741749
Energy: 0.4081126542024348
Energy: 0.5232839687422014
Energy: 0.4655819875605391
Energy: 0.5059993925564021
Energy: 0.4690241069599888
Energy: 0.5059993925564021
Energy: 0.46558198756008673
Energy: 0.5059993925573069
Energy: 0.44601019591712493
Energy: 0.43301587528412994
Energy: 0.42042011998533085
Energy: 0.4330158752836776
Energy: 0.44601019591712493
Energy: 0.43301587528412994
Energy: 0.4883874816997214
Energy: 0.4942689475707
Energy: 0.4883874816997214
Energy: 0.4942689475711524
Energy: 0.4883874816997214
Energy: 0.4942689475738667
Energy: 0.4079600706208255
Energy: 0.49371331535266094
Energy: 0.407960070619016
Energy: 0.49371331535311325
Energy: 0.4079600706208255
Energy: 0.49371331535130375
Energy: 0.4746935077347743
Energy: 0.4102992248830122
Energy: 0.4746935077329648
Energy: 0.4102992248830122
Energy: 0.4746935077352267
Energy: 0.4102992248821074
Energy: 0.42885806548487526
Energy: 0.42102716946446084
Energy: 0.4288580654853276
Energy: 0.42102716946400853
Energy: 0.42885806548487526
Energy: 0.42102716946446084
Energy: 0.40162631353010003
Energy: 0.42096763552118344
Energy: 0.4016263135310048
Energy: 0.42096763552118344
Energy: 0.40162631353010003
Energy: 0.4209676355220882
Energy: 0.4418731667282998
Energy: 0.41015272316365814
Energy: 0.4418731667278474
Energy: 0.41015272316365814
Energy: 0.4418731667278474
Energy: 0.4101527231627534
Energy: 0.4079675366907538
Energy: 0.5232839687404125
Energy: 0.4079660090327764
Energy: 0.5232839687408648
Energy: 0.4079675366907538
Energy: 0.523283968741749
Energy: 0.46902410696134594
Energy: 0.5059993925577594
Energy: 0.4690241069599888
Energy: 0.5059993925577594
Energy: 0.4690241069604412
Energy: 0.5059993925586436
Energy: 0.42042011998533085
Energy: 0.43301587528412994
Energy: 0.42042011998533085
Energy: 0.43301587528412994
Energy: 0.42042011998533085
Energy: 0.43301587528548713
Energy: 0.48838748169926904
Energy: 0.4942689475720572
Energy: 0.48838748169926904
Energy: 0.4942689475720572
Energy: 0.4883874816988167
Energy: 0.4942689475747714
Energy: 0.407960070619016
Energy: 0.49371331535266094
Energy: 0.4079600706176588
Energy: 0.4937133153508514
Energy: 0.4079600706194684
Energy: 0.4937133153490419

minimum gb energy = 0.4016263135291953 eV
minimum distance =  2.62719111728125 Angstroms
sigma value = 27


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

Energy: 0.4084697666532965
Energy: 0.3825681386179389
Energy: 0.4084697666532965
Energy: 0.382568138619047
Energy: 0.4084697666532965
Energy: 0.382568138619047
Energy: 0.456277156764378
Energy: 0.3984314634876692
Energy: 0.456277156764378
Energy: 0.3984314634876692
Energy: 0.45627715676326985
Energy: 0.3984314634876692
Energy: 0.39235742793852224
Energy: 0.46399968136986847
Energy: 0.39235742793852224
Energy: 0.46399968136986847
Energy: 0.39235742793852224
Energy: 0.4639996813709766
Energy: 0.4392602016482613
Energy: 0.3768241171897186
Energy: 0.4392602016471532
Energy: 0.3768241171897186
Energy: 0.4392602016471532
Energy: 0.3768241171897186
Energy: 0.4648435352952324
Energy: 0.37273393377824404
Energy: 0.4648435352941243
Energy: 0.37273393377824404
Energy: 0.4648435352952324
Energy: 0.37273393377824404
Energy: 0.4476566619815144
Energy: 0.48032455597688406
Energy: 0.4476566619815144
Energy: 0.48032455597910034
Energy: 0.4476566619815144
Energy: 0.4803245559779922
Energy: 0.41470164372542084
Energy: 0.3997624108132619
Energy: 0.4147016437243128
Energy: 0.3997624108121538
Energy: 0.4147016437265289
Energy: 0.3997624108132619
Energy: 0.4119733915809921
Energy: 0.38446798214542643
Energy: 0.4119733915765598
Energy: 0.38446798214542643
Energy: 0.41197339157988405
Energy: 0.38446798214542643
Energy: 0.43247061573499973
Energy: 0.39232647704392615
Energy: 0.4324706157339168
Energy: 0.3923264770428181
Energy: 0.43247061573610784
Energy: 0.39232647704503426
Energy: 0.42725385320844855
Energy: 0.4563646659037828
Energy: 0.42725385320844855
Energy: 0.4563646659048908
Energy: 0.42725385320844855
Energy: 0.45636466590267466
Energy: 0.3925391164951735
Energy: 0.372232249629941
Energy: 0.3925391164962816
Energy: 0.372232249629941
Energy: 0.3925391164951735
Energy: 0.372232249629941
Energy: 0.4617263000014588
Energy: 0.4323819380427214
Energy: 0.4617263000014588
Energy: 0.4323819380427214
Energy: 0.4617263000014588
Energy: 0.4323819380427214

minimum gb energy = 0.372232249629941 eV
minimum distance =  2.60767498103794 Angstroms
sigma value = 9


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

Energy: 0.4027555251875984
Energy: 0.37953703374245246
Energy: 0.40275552518728697
Energy: 0.3795370337427638
Energy: 0.40275552518822105
Energy: 0.3795370337421411
Energy: 0.3899622686577437
Energy: 0.33506560346851866
Energy: 0.38996226865400757
Energy: 0.33506560346883
Energy: 0.3899622686536962
Energy: 0.33506560346820735
Energy: 0.34418790507682084
Energy: 0.39279220037183765
Energy: 0.34418790507650954
Energy: 0.39279220037214896
Energy: 0.3441879050774436
Energy: 0.3927922003767909
Energy: 0.362409391218131
Energy: 0.35700714327935545
Energy: 0.3624093912178196
Energy: 0.35700714327935545
Energy: 0.362409391218131
Energy: 0.3570071432799781
Energy: 0.3769811526977441
Energy: 0.3667403601690731
Energy: 0.37698115269681004
Energy: 0.3667403601690731
Energy: 0.37698115269681004
Energy: 0.3667403601690731
Energy: 0.3925431420207748
Energy: 0.3759679206499873
Energy: 0.3925431420220202
Energy: 0.38897641172507286
Energy: 0.3925431420223315
Energy: 0.37596792065060997
Energy: 0.36998595449575017
Energy: 0.39984532385389543
Energy: 0.369985954492948
Energy: 0.39984532385482946
Energy: 0.3699859544945048
Energy: 0.39984532385420674
Energy: 0.3378877303526801
Energy: 0.3981127464513964
Energy: 0.3378877303529915
Energy: 0.3981127464517077
Energy: 0.3378877303526801
Energy: 0.3981127464517077
Energy: 0.389189485135
Energy: 0.3668043083771062
Energy: 0.38918948513468865
Energy: 0.3668043083774175
Energy: 0.3891894851331319
Energy: 0.3668043083771062
Energy: 0.37657761655109184
Energy: 0.36402748816049524
Energy: 0.3765776165535827
Energy: 0.36402748816392005
Energy: 0.37657761655171457
Energy: 0.364027488162052
Energy: 0.3635183490924816
Energy: 0.35366907871529346
Energy: 0.3635183490918589
Energy: 0.35366907871498204
Energy: 0.3635183490927929
Energy: 0.35366907871467074
Energy: 0.35366376400171434
Energy: 0.37305044851277797
Energy: 0.3536637640026484
Energy: 0.3730504485121553
Energy: 0.3536637640010916
Energy: 0.37305044851090985
Energy: 0.38854389434974174
Energy: 0.37065805879760355
Energy: 0.3885438943397786
Energy: 0.37065805879884894
Energy: 0.38854389434258074
Energy: 0.3706580588022737
Energy: 0.4029801224013969
Energy: 0.38071308973202456
Energy: 0.4029801224010855
Energy: 0.3807130897289111
Energy: 0.40298012239859476
Energy: 0.3807130897310905
Energy: 0.3522818063822427
Energy: 0.38526794815307436
Energy: 0.35228180638317674
Energy: 0.385267948152763
Energy: 0.35228180638317674
Energy: 0.38526794815307436
Energy: 0.3488916188335137
Energy: 0.3898164975389654
Energy: 0.34889161883382497
Energy: 0.3898164975358519
Energy: 0.34889161883289105
Energy: 0.3898164975370973
Energy: 0.4313338481075686
Energy: 0.3533144523799684
Energy: 0.431333848108814
Energy: 0.3533144523799684
Energy: 0.4313338481085025
Energy: 0.3533144523796571
Energy: 0.36180198544945036
Energy: 0.3641814488810334
Energy: 0.36180198545038444
Energy: 0.36418144888072207
Energy: 0.3618019854500731
Energy: 0.36418144888072207
Energy: 0.34140110283894665
Energy: 0.38891946302739405
Energy: 0.34140110283863534
Energy: 0.38891946302490327
Energy: 0.34140110283863534
Energy: 0.38891946302739405
Energy: 0.4188225439397092
Energy: 0.3322051390609118
Energy: 0.41882254394095453
Energy: 0.3322051390615345
Energy: 0.41882254394437934
Energy: 0.3322051390609118
Energy: 0.3414031581568792
Energy: 0.3890867495891409
Energy: 0.34140315815656785
Energy: 0.3890867495975473
Energy: 0.34140315815781325
Energy: 0.3890867495953679
Energy: 0.3617907790582086
Energy: 0.3637611411713778
Energy: 0.3617907790588312
Energy: 0.36376114117106645
Energy: 0.3617907790588312
Energy: 0.36376114117106645
Energy: 0.4313156069147591
Energy: 0.35330607877651726
Energy: 0.4313156069147591
Energy: 0.35330607877651726
Energy: 0.4313156069144478
Energy: 0.35330607877651726
Energy: 0.34891567550288644
Energy: 0.3698826435081222
Energy: 0.34891567550413183
Energy: 0.36988264350594274
Energy: 0.34891567550195235
Energy: 0.36988264350532
Energy: 0.35227716647353385
Energy: 0.38521476733561827
Energy: 0.35227716647415647
Energy: 0.3852147673368636
Energy: 0.3522771664738452
Energy: 0.385214767336241
Energy: 0.40293739215947527
Energy: 0.3806693387281556
Energy: 0.4029373921591639
Energy: 0.38066933872628755
Energy: 0.402937392160098
Energy: 0.38066933872628755
Energy: 0.38870602249117553
Energy: 0.3705974496921065
Energy: 0.38870602249304365
Energy: 0.3705974496914838
Energy: 0.38870602249117553
Energy: 0.37059744969179526
Energy: 0.35366244217404696
Energy: 0.3512192866877073
Energy: 0.3536624421743583
Energy: 0.3512192866877073
Energy: 0.35366244217466963
Energy: 0.35121928668801866
Energy: 0.36375249002771964
Energy: 0.353785329814431
Energy: 0.36375249002678556
Energy: 0.3537853298150537
Energy: 0.363752490027097
Energy: 0.35378532981474237
Energy: 0.3764463753342538
Energy: 0.3387497423559901
Energy: 0.37644637533394243
Energy: 0.33874974236408506
Energy: 0.37644637533269704
Energy: 0.3387497424222786
Energy: 0.3891537922213363
Energy: 0.36678290495573956
Energy: 0.38915379222444973
Energy: 0.36678290495573956
Energy: 0.3891537922225816
Energy: 0.36678290495573956
Energy: 0.3378574908844741
Energy: 0.3980080998035127
Energy: 0.3378574908844741
Energy: 0.3980080998035127
Energy: 0.3378574908844741
Energy: 0.3980080998035127
Energy: 0.3699580928941918
Energy: 0.39987160125708976
Energy: 0.36995809289263515
Energy: 0.39987160125708976
Energy: 0.36995809289294646
Energy: 0.3998716012567784
Energy: 0.392657045473464
Energy: 0.358043450668811
Energy: 0.3926570454756434
Energy: 0.358043450668811
Energy: 0.39265704547439806
Energy: 0.358043450668811
Energy: 0.3769969040530535
Energy: 0.3666470010438443
Energy: 0.37699690405367625
Energy: 0.36664700104415565
Energy: 0.3769969040527422
Energy: 0.3666470010438443
Energy: 0.3623912017870491
Energy: 0.35698753361560304
Energy: 0.3623912017870491
Energy: 0.35698753361560304
Energy: 0.36239120178767176
Energy: 0.35698753361591434
Energy: 0.34418216882639974
Energy: 0.3928894340636569
Energy: 0.34418216882639974
Energy: 0.3928894340639682
Energy: 0.34418216882639974
Energy: 0.392889434064591
Energy: 0.38992162955536097
Energy: 0.36179761561684
Energy: 0.3899216295768439
Energy: 0.36179761561621737
Energy: 0.38992162956158793
Energy: 0.36179761561590607
Energy: 0.40275552518697566
Energy: 0.3795370337430751
Energy: 0.40275552518697566
Energy: 0.3795370337436979
Energy: 0.40275552518697566
Energy: 0.37953703374338654
Energy: 0.38996226868137784
Energy: 0.3350656034703867
Energy: 0.38996226865618705
Energy: 0.3350656034703867
Energy: 0.38996226868947276
Energy: 0.3350656034700754
Energy: 0.34418790507868896
Energy: 0.3927922003786589
Energy: 0.3441879050780663
Energy: 0.3927922003808384
Energy: 0.34418790507868896
Energy: 0.3927922003799043
Energy: 0.362409391219065
Energy: 0.3570071432809122
Energy: 0.36240939121875365
Energy: 0.3570071432806009
Energy: 0.362409391219065
Energy: 0.3570071432806009
Energy: 0.3769811526977441
Energy: 0.3667403601709412
Energy: 0.37698115269681004
Energy: 0.36674036017062983
Energy: 0.37698115269712135
Energy: 0.3667403601715638

minimum gb energy = 0.3322051390609118 eV
minimum distance =  2.69820887072442 Angstroms
sigma value = 57


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

Energy: 0.36753300727416466
Energy: 0.3143895562073675
Energy: 0.1566348679197429
Energy: 0.31438955620878495
Energy: 0.36753300727416466
Energy: 0.31438955620665876
Energy: 0.4009995128409604
Energy: 0.30968446740656513
Energy: 0.4009995128395428
Energy: 0.3099584573945206
Energy: 0.40099951284308655
Energy: 0.30968446740656513
Energy: 0.34338340960190755
Energy: 0.39400717863848955
Energy: 0.3433834096026163
Energy: 0.3615485134995439
Energy: 0.34338340960190755
Energy: 0.39400717863848955
Energy: 0.31557961407853186
Energy: 0.22956577786715407
Energy: 0.31557961408065804
Energy: 0.2297382151762131
Energy: 0.3155796140778231
Energy: 0.2295657778664453
Energy: 0.23216569114295593
Energy: 0.3988628234649992
Energy: 0.2321656911422472
Energy: 0.39886282346570795
Energy: 0.23216569114295593
Energy: 0.39886282346429053
Energy: 0.2954241311505942
Energy: 0.34317918954091686
Energy: 0.15774572693551334
Energy: 0.34317918953879056
Energy: 0.2954241311505942
Energy: 0.3431791895394993
Energy: 0.2952676636476584
Energy: 0.18776812297017625
Energy: 0.15705486798255955
Energy: 0.18776812297017625
Energy: 0.29526766364553214
Energy: 0.18776812297088497
Energy: 0.3984040207480745
Energy: 0.23130814060198338
Energy: 0.3984040207480745
Energy: 0.23130814060056587
Energy: 0.39840402074878334
Energy: 0.23130814060198338
Energy: 0.31670081585356247
Energy: 0.22951397428521494
Energy: 0.3167008158542712
Energy: 0.22954389818013585
Energy: 0.3167008158528537
Energy: 0.2295139742859237
Energy: 0.1859424848095149
Energy: 0.3662579571247324
Energy: 0.1859424848102236
Energy: 0.3662579571254411
Energy: 0.18594248480880615
Energy: 0.3662579571218974
Energy: 0.23199995570899673
Energy: 0.3703779569231555
Energy: 0.23199995570899673
Energy: 0.3703779569231555
Energy: 0.231999955708288
Energy: 0.37037795692386427
Energy: 0.3675330072762909
Energy: 0.31438955620665876
Energy: 0.1566348679197429
Energy: 0.31438955620878495
Energy: 0.3675330072762909
Energy: 0.3143895562073675
Energy: 0.4009995128409604
Energy: 0.30968446740798256
Energy: 0.40099951284025154
Energy: 0.3099584573945206
Energy: 0.40099951284308655
Energy: 0.30968446740727384
Energy: 0.34338340960049013
Energy: 0.3940071786377807
Energy: 0.34338340960049013
Energy: 0.3615485134995439
Energy: 0.34338340960049013
Energy: 0.3940071786377807
Energy: 0.31557961407853186
Energy: 0.22956577786715407
Energy: 0.31557961407994933
Energy: 0.22973821517550436
Energy: 0.31557961407711443
Energy: 0.22956577786715407
Energy: 0.23216569114366467
Energy: 0.3988628234649992
Energy: 0.2321656911422472
Energy: 0.3988628234649992
Energy: 0.2321656911422472
Energy: 0.39886282346429053
Energy: 0.2954241311520116
Energy: 0.34317918954091686
Energy: 0.15774572693409586
Energy: 0.3431791895394993
Energy: 0.2954241311505942
Energy: 0.34317918953879056
Energy: 0.2952676636469496
Energy: 0.1877681229715937
Energy: 0.1570548679818508
Energy: 0.18776812297088497
Energy: 0.29526766364553214
Energy: 0.18776812297230247
Energy: 0.39840402074949205
Energy: 0.23130814060056587
Energy: 0.3984040207480745
Energy: 0.23130814060056587
Energy: 0.3984040207480745
Energy: 0.23130814060127458

minimum gb energy = 0.1566348679197429 eV
minimum distance =  2.79192638132438 Angstroms
sigma value = 11


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

Energy: 0.33515649257875035
Energy: 0.31507212443892246
Energy: 0.33515649257926944
Energy: 0.31507212443580745
Energy: 0.33515649257875035
Energy: 0.31507212443892246
Energy: 0.3884579226358242
Energy: 0.2968242298472807
Energy: 0.3884579226363433
Energy: 0.296824229848319
Energy: 0.3884579226358242
Energy: 0.2968242298472807
Energy: 0.35493193593394806
Energy: 0.45056342732082316
Energy: 0.35493193593342887
Energy: 0.45056342732082316
Energy: 0.35493193593342887
Energy: 0.4505634273213423
Energy: 0.37548603920313356
Energy: 0.30525107954554404
Energy: 0.37548603920464385
Energy: 0.3052510795450249
Energy: 0.3754860392010569
Energy: 0.3052510795450249
Energy: 0.2990140293641157
Energy: 0.28707796331613905
Energy: 0.2990140293646349
Energy: 0.28707796331561986
Energy: 0.29901402936359656
Energy: 0.28707796331613905
Energy: 0.3522566884646943
Energy: 0.2977267476469281
Energy: 0.3522566884662518
Energy: 0.29772674764796636
Energy: 0.352256688463656
Energy: 0.2977267476484855
Energy: 0.2942695890897612
Energy: 0.35137822233950117
Energy: 0.2942695890882037
Energy: 0.3513782223426162
Energy: 0.2942695890882037
Energy: 0.35137822234157784
Energy: 0.3249492751938495
Energy: 0.27285826047675965
Energy: 0.32494927519073447
Energy: 0.27285826047675965
Energy: 0.32494927519125366
Energy: 0.27285826047675965
Energy: 0.3241599639297519
Energy: 0.2744645186721084
Energy: 0.3241599639297519
Energy: 0.2744645186726276
Energy: 0.3241599639297519
Energy: 0.2744645186731468
Energy: 0.28366409517687735
Energy: 0.4359966543223869
Energy: 0.28366409517739655
Energy: 0.4359966543203102
Energy: 0.28366409517687735
Energy: 0.43599665431823353
Energy: 0.33437179168360354
Energy: 0.3756767502804597
Energy: 0.33437179168619935
Energy: 0.3756767502799406
Energy: 0.33437179168412273
Energy: 0.3756767502820172
Energy: 0.2993323142988254
Energy: 0.2888205633116669
Energy: 0.29933231429830626
Energy: 0.2888205633111477
Energy: 0.29933231430038293
Energy: 0.2888205633111477
Energy: 0.3339241997629471
Energy: 0.3074458595254141
Energy: 0.33392419976554294
Energy: 0.30744585952593323
Energy: 0.3339241997696962
Energy: 0.3074458595264524
Energy: 0.3445765752242318
Energy: 0.4331226366602329
Energy: 0.34457657522527013
Energy: 0.4331226366602329
Energy: 0.3445765752242318
Energy: 0.4331226366591946
Energy: 0.3978872565687957
Energy: 0.2979896865339289
Energy: 0.3978872565677573
Energy: 0.2979896865369967
Energy: 0.3978872565693149
Energy: 0.2979896865344481
Energy: 0.3245704965348002
Energy: 0.315624584851885
Energy: 0.3245704965353193
Energy: 0.3156245848472597
Energy: 0.3245704965353193
Energy: 0.3156245848492891
Energy: 0.3014646648450977
Energy: 0.29542682544547094
Energy: 0.3014646648450977
Energy: 0.29542682544547094
Energy: 0.3014646648456169
Energy: 0.2954268254459901
Energy: 0.3746923606955488
Energy: 0.3492170681337478
Energy: 0.3746923606913955
Energy: 0.349217068134267
Energy: 0.3746923606913955
Energy: 0.34921706813219033
Energy: 0.3718762626481559
Energy: 0.3044193541931078
Energy: 0.3718762626549049
Energy: 0.3044193541936269
Energy: 0.37187626262790846
Energy: 0.3044193541931078
Energy: 0.29905780920947617
Energy: 0.3166446098494932
Energy: 0.29905780920999536
Energy: 0.3166446098489741
Energy: 0.29905780921103364
Energy: 0.3166446098494932
Energy: 0.28304852925436413
Energy: 0.2984165914280017
Energy: 0.283048529253845
Energy: 0.29841659142852084
Energy: 0.28304852925332585
Energy: 0.2984165914274825
Energy: 0.3110432315591592
Energy: 0.34949552677448115
Energy: 0.31104323156123587
Energy: 0.34949552677448115
Energy: 0.31104323156123587
Energy: 0.34949552677292367
Energy: 0.32546673214505023
Energy: 0.31240121679535326
Energy: 0.32546673214349275
Energy: 0.3124012167922383
Energy: 0.32546673214453103
Energy: 0.3124012167937958
Energy: 0.32267914153692034
Energy: 0.2925466499096126
Energy: 0.32267914153692034
Energy: 0.2925466499096126
Energy: 0.32267914153640115
Energy: 0.292546649910651
Energy: 0.28294905152861327
Energy: 0.3235196685792712
Energy: 0.28294905152809413
Energy: 0.3235196685745987
Energy: 0.28294905152757494
Energy: 0.32351966857719455
Energy: 0.5317567808672439
Energy: 0.37581468247819766
Energy: 0.5317567808672439
Energy: 0.37581468247715927
Energy: 0.5317567808677631
Energy: 0.37581468247871685

minimum gb energy = 0.27285826047675965 eV
minimum distance =  2.69741149544933 Angstroms
sigma value = 41


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

Energy: 0.37068896071336066
Energy: 0.31592686630594985
Energy: 0.37068896071336066
Energy: 0.31592686630594985
Energy: 0.37068896071336066
Energy: 0.3159268663063591
Energy: 0.3532888624586214
Energy: 0.3416661434866003
Energy: 0.3532888624590306
Energy: 0.34166614348619107
Energy: 0.353288862459849
Energy: 0.34166614348619107
Energy: 0.3487246665529859
Energy: 0.39028710514608483
Energy: 0.3487246665529859
Energy: 0.39028710514608483
Energy: 0.3487246665513491
Energy: 0.3902871051452664
Energy: 0.34591167531798855
Energy: 0.3118125814742082
Energy: 0.34591167531798855
Energy: 0.3118125814746174
Energy: 0.34591167531798855
Energy: 0.3118125814746174
Energy: 0.2949009683257024
Energy: 0.33212087705196625
Energy: 0.29490096832652074
Energy: 0.33212087705196625
Energy: 0.29490096832611157
Energy: 0.3321208770515571
Energy: 0.34439909506661814
Energy: 0.33230867794142455
Energy: 0.3443990950670273
Energy: 0.3323086779406062
Energy: 0.34439909506907324
Energy: 0.33230867794142455
Energy: 0.3147595666275083
Energy: 0.4519362599136391
Energy: 0.3147595666275083
Energy: 0.4519362599144575
Energy: 0.3147595666270992
Energy: 0.4519362599136391
Energy: 0.30502542473321836
Energy: 0.31192065208630204
Energy: 0.30502542473280914
Energy: 0.31192065208630204
Energy: 0.30502542473280914
Energy: 0.3119206520867112
Energy: 0.3016637217893971
Energy: 0.32457906412051823
Energy: 0.3016637217889879
Energy: 0.32457906412051823
Energy: 0.3016637217889879
Energy: 0.32457906412051823
Energy: 0.3444592655886533
Energy: 0.3552209572426335
Energy: 0.34445926558824413
Energy: 0.3552209572426335
Energy: 0.3444592655878349
Energy: 0.35522095724222424
Energy: 0.344173149553004
Energy: 0.3769910152155881
Energy: 0.3441731495534132
Energy: 0.3769910152155881
Energy: 0.3441731495534132
Energy: 0.3769910152155881
Energy: 0.29780197794436275
Energy: 0.37082321452350026
Energy: 0.29780197794436275
Energy: 0.3379195424039827
Energy: 0.2978019779439536
Energy: 0.33791954240561944
Energy: 0.3088592797917232
Energy: 0.31541839232059016
Energy: 0.3088592797921324
Energy: 0.31541839232181773
Energy: 0.3088592797921324
Energy: 0.31541839232059016
Energy: 0.2871668334996875
Energy: 0.35330436073664634
Energy: 0.2871668334996875
Energy: 0.35330436073664634
Energy: 0.2871668335000967
Energy: 0.35330436073705546
Energy: 0.34405178884586585
Energy: 0.3554097798153838
Energy: 0.3440517888454567
Energy: 0.3554097798153838
Energy: 0.34405178884586585
Energy: 0.3554097798157744
Energy: 0.29105409294961765
Energy: 0.3289371689961093
Energy: 0.2910540929500268
Energy: 0.32893716899570014
Energy: 0.2910540929500268
Energy: 0.32893716899570014
Energy: 0.31212520071867944
Energy: 0.31536038732812444
Energy: 0.31212520071827027
Energy: 0.31536038732812444
Energy: 0.3121252007190886
Energy: 0.31536038732853366
Energy: 0.3701922926876947
Energy: 0.3913104502900225
Energy: 0.3701922926893315
Energy: 0.3913104502896133
Energy: 0.3701922926889223
Energy: 0.3913104502904317
Energy: 0.35287812688461767
Energy: 0.3459760193920439
Energy: 0.35287812688420844
Energy: 0.3459760193912256
Energy: 0.35287812688379927
Energy: 0.3459760193895888
Energy: 0.34356597382386517
Energy: 0.3173471538703665
Energy: 0.34356597382427434
Energy: 0.31734715386995727
Energy: 0.34356597382345594
Energy: 0.3173471538703665
Energy: 0.30344683070258666
Energy: 0.3404426254622357
Energy: 0.30344683070258666
Energy: 0.3404426254622357
Energy: 0.30344683070258666
Energy: 0.3404426254622357
Energy: 0.3484951781370881
Energy: 0.3897294236223556
Energy: 0.3484951781334054
Energy: 0.38972942362562907
Energy: 0.3484951781338146
Energy: 0.38972942362521984
Energy: 0.3451627997412294
Energy: 0.3116696795697564
Energy: 0.3451627997428661
Energy: 0.3116696795697564
Energy: 0.3451627997420478
Energy: 0.3116696795705748
Energy: 0.29122498140164294
Energy: 0.3677569651634976
Energy: 0.2912249814020521
Energy: 0.33908209887421237
Energy: 0.29122498140164294
Energy: 0.339082098873394
Energy: 0.28780748309374266
Energy: 0.3359097788602042
Energy: 0.28780748309374266
Energy: 0.3359097788589766
Energy: 0.28780748309374266
Energy: 0.3359097788585674
Energy: 0.31369640702551876
Energy: 0.3546253833133891
Energy: 0.31369640702551876
Energy: 0.3546253833101156
Energy: 0.31369640702592794
Energy: 0.3546253833101156
Energy: 0.30349273252149656
Energy: 0.3118064365986787
Energy: 0.30349273252190573
Energy: 0.3118064365986787
Energy: 0.30349273252190573
Energy: 0.3118064365986787
Energy: 0.30147822532706076
Energy: 0.33176478078372673
Energy: 0.30147822532706076
Energy: 0.33176478078413596
Energy: 0.3014782253266516
Energy: 0.33176478078372673
Energy: 0.3433143844028721
Energy: 0.3239368651554445
Energy: 0.3433143844036905
Energy: 0.32393686515789966
Energy: 0.3433143844036905
Energy: 0.32393686515626285
Energy: 0.385786973666441
Energy: 0.3301088680975186
Energy: 0.3857869736660318
Energy: 0.33010886809833695
Energy: 0.385786973666441
Energy: 0.3301088680975186
Energy: 0.29553269253293674
Energy: 0.31434993277089607
Energy: 0.2955326925337551
Energy: 0.3143499327267221
Energy: 0.29553269253293674
Energy: 0.31434993277457873
Energy: 0.3077637366693446
Energy: 0.3184844837664234
Energy: 0.307763736670163
Energy: 0.31848448376601424
Energy: 0.3077637366697538
Energy: 0.31848448376601424
Energy: 0.2876271225431132
Energy: 0.3246046732252888
Energy: 0.2876271225439316
Energy: 0.3246046732252888
Energy: 0.2876271225435224
Energy: 0.3246046732252888

minimum gb energy = 0.2871668334996875 eV
minimum distance =  2.73061783715625 Angstroms
sigma value = 33


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

Energy: 0.3539095757816801
Energy: 0.3184672726902433
Energy: 0.3539095757816801
Energy: 0.3184672726902433
Energy: 0.35390957578225435
Energy: 0.3184672726894079
Energy: 0.3716325971719036
Energy: 0.30322514187687194
Energy: 0.37163259717104213
Energy: 0.30322514187687194
Energy: 0.3716325971713293
Energy: 0.30322514187687194
Energy: 0.3363526417957935
Energy: 0.4204995182723733
Energy: 0.33635264179493196
Energy: 0.4204995182720862
Energy: 0.3363526417952192
Energy: 0.4204995182729477
Energy: 0.3416080412462047
Energy: 0.311559344738527
Energy: 0.3416080412456304
Energy: 0.3115593447382398
Energy: 0.3416080412464919
Energy: 0.31155934473881414
Energy: 0.3196426095023461
Energy: 0.3403396799199954
Energy: 0.31964260950177176
Energy: 0.34033967991683656
Energy: 0.3196426095020589
Energy: 0.34033967991396474
Energy: 0.33842797096694105
Energy: 0.3239913071843847
Energy: 0.33842797096694105
Energy: 0.3239913071843847
Energy: 0.33842797098733035
Energy: 0.3239913071843847
Energy: 0.32705790792171935
Energy: 0.3699146464243368
Energy: 0.32705790792200656
Energy: 0.3699146464237625
Energy: 0.32705790792085787
Energy: 0.3699146464243368
Energy: 0.35040276515585855
Energy: 0.36517951653171604
Energy: 0.35040276515585855
Energy: 0.36517951653142894
Energy: 0.35040276515643287
Energy: 0.36517951653171604
Energy: 0.38687791149344714
Energy: 0.3306020933050685
Energy: 0.38687791149373435
Energy: 0.33060209330593004
Energy: 0.3868779114917241
Energy: 0.33060209330593004
Energy: 0.37296757959045507
Energy: 0.3168865809733986
Energy: 0.3729675795847116
Energy: 0.3168865809733986
Energy: 0.3729675795916038
Energy: 0.31688658097311145
Energy: 0.3481600521376148
Energy: 0.34913534510136207
Energy: 0.3481600521381891
Energy: 0.34913534510136207
Energy: 0.34816005213704043
Energy: 0.34913534510107486
Energy: 0.3592691242332272
Energy: 0.3118450578544594
Energy: 0.3592691242340887
Energy: 0.31184505785474653
Energy: 0.35926912423897067
Energy: 0.31184505785474653
Energy: 0.3321674147198623
Energy: 0.36236162572048763
Energy: 0.3321674147192879
Energy: 0.36236162572020053
Energy: 0.3321674147195751
Energy: 0.36236162572048763
Energy: 0.36140269155461174
Energy: 0.348450144090684
Energy: 0.36140269155346305
Energy: 0.34845014408838654
Energy: 0.3614026915543246
Energy: 0.34845014408953523
Energy: 0.3574718226341073
Energy: 0.32754172431292616
Energy: 0.35747182263324584
Energy: 0.3275417243135005
Energy: 0.35747182263324584
Energy: 0.32754172431378764
Energy: 0.32584396364443974
Energy: 0.33878804204369695
Energy: 0.32584396364587564
Energy: 0.33878804204111246
Energy: 0.32584396364530127
Energy: 0.3387880420416868
Energy: 0.36514282046524177
Energy: 0.3175057132684143
Energy: 0.3651428204620829
Energy: 0.3175057132689887
Energy: 0.36514282046495466
Energy: 0.31750571326870153
Energy: 0.31123593525288273
Energy: 0.3391231429525013
Energy: 0.31123593525230836
Energy: 0.33912314295336277
Energy: 0.31123593525230836
Energy: 0.33912314295307566
Energy: 0.4198394732711542
Energy: 0.3361660606802683
Energy: 0.4198394732688568
Energy: 0.33616606067969396
Energy: 0.4198394732700055
Energy: 0.3361660606805555
Energy: 0.3641306322844144
Energy: 0.3422796575812657
Energy: 0.3641306322872862
Energy: 0.3422796575812657
Energy: 0.364130632285276
Energy: 0.3422796575812657
Energy: 0.3169953738911038
Energy: 0.35195149015967236
Energy: 0.3169953738905295
Energy: 0.3519514901593852
Energy: 0.3169953738908167
Energy: 0.35195149015967236
Energy: 0.3015514032280249
Energy: 0.3744391400272187
Energy: 0.30155140322888635
Energy: 0.3744391400298032
Energy: 0.3015514032285992
Energy: 0.37443914002750583
Energy: 0.3901528994459693
Energy: 0.30373211339409684
Energy: 0.3901528994462564
Energy: 0.3037321133938097
Energy: 0.3901528994462564
Energy: 0.30373211339409684
Energy: 0.31351725329117935
Energy: 0.3379977829027197
Energy: 0.31351725329117935
Energy: 0.3379977829027197
Energy: 0.313517253290605
Energy: 0.33799778290386845
Energy: 0.3393101666312316
Energy: 0.3172542011918882
Energy: 0.3393101666329546
Energy: 0.3172542011918882
Energy: 0.3393101666341033
Energy: 0.3172542011927497
Energy: 0.32386394776156935
Energy: 0.39045964555578994
Energy: 0.3238639477621437
Energy: 0.39045964555550283
Energy: 0.3238639477624308
Energy: 0.39045964555636437
Energy: 0.3717391609463981
Energy: 0.3274540974906148
Energy: 0.3717391609452494
Energy: 0.3274540974906148
Energy: 0.37173916094553655
Energy: 0.3274540974906148
Energy: 0.3475809905724509
Energy: 0.3141101889211083
Energy: 0.34758099057388675
Energy: 0.3141101889211083
Energy: 0.3475809905724509
Energy: 0.3141101889213955
Energy: 0.33237615194185877
Energy: 0.3622167035183835
Energy: 0.3323761519430074
Energy: 0.36221670351924495
Energy: 0.3323761519430074
Energy: 0.36221670351924495
Energy: 0.31612736879487136
Energy: 0.42124160660771365
Energy: 0.3161273687945842
Energy: 0.42124160660886234
Energy: 0.3161273687957329
Energy: 0.4212416066085751
Energy: 0.3369962302505216
Energy: 0.31071108840257006
Energy: 0.33699623025109593
Energy: 0.31071108840257006
Energy: 0.3369962302513831
Energy: 0.3107110884022829
Energy: 0.31381508289316257
Energy: 0.3567961009227298
Energy: 0.31381508289316257
Energy: 0.35679610092502717
Energy: 0.31381508289287535
Energy: 0.356796100926463
Energy: 0.3641085745720762
Energy: 0.3291809587619805
Energy: 0.3641085745715019
Energy: 0.3291809587619805
Energy: 0.364108574571789
Energy: 0.32918095876169334
Energy: 0.3473519386382694
Energy: 0.3589871452963112
Energy: 0.3473519386348233
Energy: 0.3589871452965983
Energy: 0.3473519386382694
Energy: 0.3589871452968855
Energy: 0.3474501751232504
Energy: 0.3592761531396819
Energy: 0.34745017512382476
Energy: 0.3592761531396819
Energy: 0.3474501751232504
Energy: 0.3592761531391076
Energy: 0.3641942048103486
Energy: 0.3292376577972179
Energy: 0.3641942048083384
Energy: 0.3292376577975051
Energy: 0.3641942048103486
Energy: 0.32923765779779224
Energy: 0.3139380450608514
Energy: 0.3570071326975546
Energy: 0.31393804506027706
Energy: 0.3570071327058826
Energy: 0.3139380450608514
Energy: 0.35700713269698015
Energy: 0.3369796516313108
Energy: 0.31069506935357327
Energy: 0.3369796516313108
Energy: 0.31069506935386043
Energy: 0.3369796516318851
Energy: 0.31069506935414765
Energy: 0.31616513529240575
Energy: 0.42100343069922896
Energy: 0.3161651352932673
Energy: 0.42100343069980334
Energy: 0.3161651352938416
Energy: 0.42100343070037766
Energy: 0.33231661341803437
Energy: 0.3621139609359954
Energy: 0.33231661341659857
Energy: 0.3621139609365697
Energy: 0.33231661341659857
Energy: 0.3621139609359954
Energy: 0.3476709821179146
Energy: 0.31399628722185513
Energy: 0.3476709821182018
Energy: 0.31399628722156797
Energy: 0.3476709821176274
Energy: 0.31399628722128076
Energy: 0.37168094126853085
Energy: 0.3275787993240356
Energy: 0.37168094126853085
Energy: 0.32757879932432277
Energy: 0.37168094126712103
Energy: 0.32757879932432277
Energy: 0.32389271011132914
Energy: 0.39060765607869313
Energy: 0.32389271011018045
Energy: 0.39060765607783166
Energy: 0.3238927101107548
Energy: 0.39060765607668296
Energy: 0.3393597409653738
Energy: 0.31730828617860635
Energy: 0.3393597409647995
Energy: 0.3173082861783192
Energy: 0.33935974096594823
Energy: 0.3173082861788935
Energy: 0.3135156856606027
Energy: 0.34047034487436106
Energy: 0.31351568566031557
Energy: 0.34047034487436106
Energy: 0.3135156856600284
Energy: 0.3404703448752226
Energy: 0.3901490860153216
Energy: 0.3036756870388554
Energy: 0.39014908601589593
Energy: 0.30367568703828096
Energy: 0.390149086014173
Energy: 0.30367568703828096
Energy: 0.30190920524878995
Energy: 0.3744156643706414
Energy: 0.3019092052490771
Energy: 0.37441566436977985
Energy: 0.3019092052490771
Energy: 0.37441566436977985

minimum gb energy = 0.3015514032280249 eV
minimum distance =  2.73195800962616 Angstroms
sigma value = 67


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

Energy: 0.3490390179197583
Energy: 0.32749299981881846
Energy: 0.349039017918995
Energy: 0.32749299981899294
Energy: 0.3490390179193875
Energy: 0.3274929998186222
Energy: 0.33200322077232314
Energy: 0.30265569641617535
Energy: 0.33200322077212685
Energy: 0.30265569641617535
Energy: 0.33200322077269395
Energy: 0.30265569641617535
Energy: 0.3815362192328467
Energy: 0.42347897801725604
Energy: 0.3815362192324759
Energy: 0.4234789780180195
Energy: 0.38153621923265035
Energy: 0.42347897801782314
Energy: 0.3320194439164394
Energy: 0.3028156413783743
Energy: 0.3320194439162431
Energy: 0.3028156413785705
Energy: 0.3320194439164394
Energy: 0.3028156413783743
Energy: 0.3490390179201509
Energy: 0.3274929998186222
Energy: 0.34903901792034714
Energy: 0.32749299981881846
Energy: 0.34903901792071795
Energy: 0.32749299981899294
Energy: 0.3320032207728902
Energy: 0.30265569641539014
Energy: 0.33200322077308647
Energy: 0.30265569641558643
Energy: 0.33200322077308647
Energy: 0.30265569641558643
Energy: 0.38153621923361
Energy: 0.4234789780174524
Energy: 0.3815362192334355
Energy: 0.4234789780174524
Energy: 0.38153621923323916
Energy: 0.42347897801762685

minimum gb energy = 0.30265569641539014 eV
minimum distance =  2.73907273121426 Angstroms
sigma value = 3


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

Energy: 0.4869949945351963
Energy: 0.3763207184680188
Energy: 0.48699499453652595
Energy: 0.37632071846749643
Energy: 0.4869949945357187
Energy: 0.3763207184682562
Energy: 0.38893017061906354
Energy: 0.3500101797650095
Energy: 0.3889301706185412
Energy: 0.3500101797658167
Energy: 0.38893017062010826
Energy: 0.3500101797663391
Energy: 0.4117274766529653
Energy: 0.4232284189231722
Energy: 0.4117274766548173
Energy: 0.4232284189213202
Energy: 0.41172747665220544
Energy: 0.4232284189207978
Energy: 0.38253917771835455
Energy: 0.3681566156166081
Energy: 0.38253917771650253
Energy: 0.3681566156158482
Energy: 0.38253917771702495
Energy: 0.3681566156160857
Energy: 0.43343439294355746
Energy: 0.3942633608973332
Energy: 0.43343439294355746
Energy: 0.39426336089391406
Energy: 0.43343439294379493
Energy: 0.39426336089391406
Energy: 0.3683427548425857
Energy: 0.38875368566818574
Energy: 0.368342754843108
Energy: 0.3887536856684232
Energy: 0.36834275484125606
Energy: 0.38875368566818574
Energy: 0.3918523566536497
Energy: 0.42373097087072276
Energy: 0.39185235665545426
Energy: 0.4237309708704379
Energy: 0.3918523566538872
Energy: 0.42373097087096023
Energy: 0.3589065304091248
Energy: 0.3785202676719563
Energy: 0.3589065304274074
Energy: 0.39056119535925693
Energy: 0.35890653041643783
Energy: 0.3895701192464417
Energy: 0.37335770330278145
Energy: 0.39596205725315486
Energy: 0.37335770330463347
Energy: 0.39596205724897604
Energy: 0.37335770330178414
Energy: 0.3959620572544845
Energy: 0.3840809093681967
Energy: 0.38879688475829544
Energy: 0.38408090936715195
Energy: 0.3887968847638039
Energy: 0.3840809093674369
Energy: 0.3887968847601474
Energy: 0.39466796413286725
Energy: 0.4147238741343155
Energy: 0.39466796413205996
Energy: 0.41472387413403056
Energy: 0.3946679641257917
Energy: 0.41472387413403056
Energy: 0.3592413346653089
Energy: 0.38557884827429645
Energy: 0.3592413346642643
Energy: 0.38557884827429645
Energy: 0.3592413346655939
Energy: 0.38557884827510375
Energy: 0.3950549857178579
Energy: 0.37708156875526105
Energy: 0.3950549857168132
Energy: 0.37708156875264925
Energy: 0.3950549857183803
Energy: 0.3770815687510821
Energy: 0.3873220896886198
Energy: 0.388564662912613
Energy: 0.3873220896943657
Energy: 0.38856466293507436
Energy: 0.3873220896915165
Energy: 0.38856466291441755
Energy: 0.4311782425721295
Energy: 0.39155097592650256
Energy: 0.43117824257241444
Energy: 0.39155097592569527
Energy: 0.4311782425721295
Energy: 0.3915509759259802
Energy: 0.4031682591047859
Energy: 0.3601599368976311
Energy: 0.4031682591042635
Energy: 0.36015993689786857
Energy: 0.40316825910397863
Energy: 0.36015993689682385
Energy: 0.41349007015286715
Energy: 0.3509228954588176
Energy: 0.41349007015310457
Energy: 0.3509228954588176
Energy: 0.41349007015286715
Energy: 0.3509228954577729
Energy: 0.3790270753022496
Energy: 0.41739396409797025
Energy: 0.37902707530092
Energy: 0.4173939641096996
Energy: 0.37902707530172725
Energy: 0.41739396409640317
Energy: 0.40743656542221696
Energy: 0.3944518255040975
Energy: 0.40743656541803813
Energy: 0.3944518254988739
Energy: 0.40743656541461903
Energy: 0.3944518255007259
Energy: 0.3591286670511532
Energy: 0.39400507659171363
Energy: 0.35912866704987095
Energy: 0.39400507659119127
Energy: 0.3591286670493486
Energy: 0.39400507659119127
Energy: 0.4119942019488503
Energy: 0.3897280004244718
Energy: 0.4119942019483279
Energy: 0.38972800042470923
Energy: 0.4119942019486129
Energy: 0.38972800042394945
Energy: 0.3557542034696943
Energy: 0.42673936625742
Energy: 0.3557542034702167
Energy: 0.42673936625742
Energy: 0.3557542034696943
Energy: 0.426739366258987
Energy: 0.3765110766696823
Energy: 0.37280894725623276
Energy: 0.3765110766702047
Energy: 0.37280894725699254
Energy: 0.37651107666991973
Energy: 0.37280894725699254
Energy: 0.36140886201451344
Energy: 0.3901433351426174
Energy: 0.3614088620147983
Energy: 0.3901433351415726
Energy: 0.36140886201427597
Energy: 0.3901433351449442
Energy: 0.40858512815834735
Energy: 0.38986700878617775
Energy: 0.40858512816015186
Energy: 0.3898670087867001
Energy: 0.40858512815806236
Energy: 0.3898670087869376
Energy: 0.3675412731791534
Energy: 0.3975307495160981
Energy: 0.36754127318333235
Energy: 0.39753074951529077
Energy: 0.36754127317810875
Energy: 0.39753074951400863
Energy: 0.41228637849759897
Energy: 0.39481653110506804
Energy: 0.41228637849759897
Energy: 0.3948165311053055
Energy: 0.41228637849812133
Energy: 0.3948165311053055
Energy: 0.3836149901001511
Energy: 0.34960915438174306
Energy: 0.3836149901006735
Energy: 0.3616962031145084
Energy: 0.38361499009910643
Energy: 0.3616962031108518
Energy: 0.3811432089545822
Energy: 0.35090368392342547
Energy: 0.38114320895690906
Energy: 0.35090368392266574
Energy: 0.3811432089605656
Energy: 0.35090368392342547
Energy: 0.40299338149892605
Energy: 0.3657609343535541
Energy: 0.40299338149450975
Energy: 0.3657609343525094
Energy: 0.4029933814973591
Energy: 0.365760934351987
Energy: 0.4342407215522913
Energy: 0.36381963348741203
Energy: 0.43424072154887217
Energy: 0.3638196334866523
Energy: 0.4342407215493946
Energy: 0.36381963348688967
Energy: 0.3815614650507337
Energy: 0.35108991675311263
Energy: 0.38156146504759947
Energy: 0.35108991675363505
Energy: 0.3815614650489291
Energy: 0.35108991675339757
Energy: 0.3777006644098632
Energy: 0.373050077104048
Energy: 0.3777006644106705
Energy: 0.3730500771038105
Energy: 0.3777006644093408
Energy: 0.3730500771038105
Energy: 0.4031660418594462
Energy: 0.3964521791020311
Energy: 0.40316604186205796
Energy: 0.39645217910074887
Energy: 0.40316604185996857
Energy: 0.396452179102316
Energy: 0.3878799182597687
Energy: 0.39620059932676194
Energy: 0.38787991825715695
Energy: 0.396200599328329
Energy: 0.38787991825843904
Energy: 0.3962005993269994
Energy: 0.3756088445502169
Energy: 0.38939868688907064
Energy: 0.37560884454841237
Energy: 0.3893986868843694
Energy: 0.37560884455102417
Energy: 0.3893986868880259
Energy: 0.3521936919655466
Energy: 0.432791367644409
Energy: 0.3521936919650243
Energy: 0.43279136764493137
Energy: 0.35219369196450195
Energy: 0.432791367644409
Energy: 0.4312885902596369
Energy: 0.3737964080449901
Energy: 0.4312885902604442
Energy: 0.3737964080439453
Energy: 0.43128859026096655
Energy: 0.37379640804627223
Energy: 0.3525227645924299
Energy: 0.4251154603884369
Energy: 0.3525227645924299
Energy: 0.4251154603894816
Energy: 0.3525227645921925
Energy: 0.42511546038815196
Energy: 0.39309655237818986
Energy: 0.38966505338589214
Energy: 0.393096553180723
Energy: 0.38966505338589214
Energy: 0.3930965521881462
Energy: 0.3896650533853698
Energy: 0.3600375284549905
Energy: 0.43266997975381455
Energy: 0.36003752845579773
Energy: 0.43266997975196253
Energy: 0.36003752845579773
Energy: 0.43266997975248495
Energy: 0.4631520851310198
Energy: 0.35018396211054176
Energy: 0.463152085132302
Energy: 0.35018396211001934
Energy: 0.4631520851312572
Energy: 0.3501839621097819
Energy: 0.3764573089560008
Energy: 0.41649930084237213
Energy: 0.37645730895676055
Energy: 0.416499300844699
Energy: 0.3764573089575678
Energy: 0.416499300843132
Energy: 0.4112110214758862
Energy: 0.3509091187588899
Energy: 0.4112110214743191
Energy: 0.3509091187591272
Energy: 0.4112110214756012
Energy: 0.3509091187588899
Energy: 0.4037068196380334
Energy: 0.36203065788020566
Energy: 0.4037068196369887
Energy: 0.36203065788020566
Energy: 0.4037068196361814
Energy: 0.36203065788101296
Energy: 0.42528571229473977
Energy: 0.37583502500753113
Energy: 0.42528571229421736
Energy: 0.3758350250080535
Energy: 0.42528571229526213
Energy: 0.37583502500700877
Energy: 0.39505780269105606
Energy: 0.3887126454362833
Energy: 0.39505780269105606
Energy: 0.3887126454362833
Energy: 0.39505780269262314
Energy: 0.3887126454378504
Energy: 0.396161784840022
Energy: 0.37619307854634076
Energy: 0.39616178484182657
Energy: 0.3761930785484302
Energy: 0.3961617848405444
Energy: 0.37619307854581846
Energy: 0.3602910141459888
Energy: 0.3936213709065827
Energy: 0.3602910141449441
Energy: 0.39362137090738997
Energy: 0.36029101414546644
Energy: 0.3936213709065827
Energy: 0.3959718616015649
Energy: 0.3974111212933938
Energy: 0.3959718616023247
Energy: 0.3974111212933938
Energy: 0.39597186160208725
Energy: 0.39741112129420103
Energy: 0.38183859878453585
Energy: 0.38848692790119405
Energy: 0.3818385987842985
Energy: 0.38848692790095657
Energy: 0.38183859878349113
Energy: 0.388486927901479

minimum gb energy = 0.34960915438174306 eV
minimum distance =  2.70157181322119 Angstroms
sigma value = 81


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

Energy: 0.5157029593242245
Energy: 0.42202064824648133
Energy: 0.4653803479832893
Energy: 0.4220206482475567
Energy: 0.5157029593220738
Energy: 0.4220206482482737
Energy: 0.4235206615908947
Energy: 0.3965748430051221
Energy: 0.4235206615876685
Energy: 0.3961928210985202
Energy: 0.42352066159017776
Energy: 0.3965748430083483
Energy: 0.4251437229866913
Energy: 0.341188029422767
Energy: 0.4046589062560692
Energy: 0.34118802942133314
Energy: 0.4251437229838236
Energy: 0.3411880294209747
Energy: 0.3770832437173088
Energy: 0.38084021447796407
Energy: 0.37708324371695034
Energy: 0.3808402144750963
Energy: 0.37708324371802576
Energy: 0.3808402144768886
Energy: 0.4198176253118081
Energy: 0.351851864766767
Energy: 0.4198176253118081
Energy: 0.3518518647674514
Energy: 0.4198176253146758
Energy: 0.35185186476605007
Energy: 0.3967268003838355
Energy: 0.3995398965344404
Energy: 0.396726800383477
Energy: 0.37051791810877893
Energy: 0.3967268003824016
Energy: 0.3995398965373081
Energy: 0.37230987023300705
Energy: 0.39934378123081293
Energy: 0.3723689928496188
Energy: 0.37032489219101367
Energy: 0.37230987023157314
Energy: 0.39934378123081293
Energy: 0.39429988134944677
Energy: 0.4314181378944811
Energy: 0.3943047872877015
Energy: 0.4314181378937642
Energy: 0.39429988134801297
Energy: 0.4314181378941226
Energy: 0.4641365528662578
Energy: 0.4028789320797743
Energy: 0.46413655286697464
Energy: 0.4028789320818925
Energy: 0.4641365528644654
Energy: 0.4028789320833264
Energy: 0.4355422773664286
Energy: 0.4101065560518416
Energy: 0.4355422773646363
Energy: 0.4101065560504078
Energy: 0.4355422773664286
Energy: 0.4101065560518416
Energy: 0.4300967007238447
Energy: 0.41845023472947424
Energy: 0.4300967007238447
Energy: 0.41845023472804044
Energy: 0.4300967007263539
Energy: 0.41845023472839893
Energy: 0.39997243367804464
Energy: 0.39921797579260326
Energy: 0.3999717229983951
Energy: 0.3992306233752155
Energy: 0.39997243367912
Energy: 0.399217975723778
Energy: 0.4201112740581794
Energy: 0.3953190459528923
Energy: 0.42011127405674553
Energy: 0.3952530050918267
Energy: 0.4201112740606886
Energy: 0.3953190459493076
Energy: 0.4020134456182176
Energy: 0.34116901086509327
Energy: 0.4020134456185761
Energy: 0.3411690108633009
Energy: 0.40201344561750074
Energy: 0.34116901086652707
Energy: 0.34116184990327286
Energy: 0.3702406992482785
Energy: 0.3411618499043483
Energy: 0.3702406992472031
Energy: 0.341161849901839
Energy: 0.37024069924576924
Energy: 0.39415677028143503
Energy: 0.3446901741557449
Energy: 0.39415677028394425
Energy: 0.34469017415682024
Energy: 0.39415677028071805
Energy: 0.34469017415646175
Energy: 0.45947293904891784
Energy: 0.3707125187824353
Energy: 0.45947293904820086
Energy: 0.3997030221686715
Energy: 0.459472939046767
Energy: 0.3707125187831522
Energy: 0.4045651496065801
Energy: 0.4676577160177922
Energy: 0.40456095136433706
Energy: 0.46765771601850914
Energy: 0.4045651496072969
Energy: 0.467657716019226
Energy: 0.34462840477221435
Energy: 0.39942809405945995
Energy: 0.34462840477293133
Energy: 0.4055799892590361
Energy: 0.344628404771139
Energy: 0.39942809405981844
Energy: 0.38711808590729807
Energy: 0.4453997740898779
Energy: 0.3871180859130335
Energy: 0.4453997740934626
Energy: 0.38711808590048724
Energy: 0.44539977409167025
Energy: 0.3530400679093024
Energy: 0.39548069283901566
Energy: 0.3530400679075102
Energy: 0.3954806928415249
Energy: 0.3530400679110947
Energy: 0.3954806928375818
Energy: 0.4297990761548532
Energy: 0.41177311670212363
Energy: 0.37044749904675656
Energy: 0.4117731167017652
Energy: 0.42979907615804674
Energy: 0.4117731167024821
Energy: 0.42655970178754143
Energy: 0.3373947744066041
Energy: 0.3695051624176989
Energy: 0.33739477440517024
Energy: 0.42655970178646613
Energy: 0.3373947744076468
Energy: 0.43102232720637973
Energy: 0.3948592798731977
Energy: 0.4310223272085305
Energy: 0.39479060640260816
Energy: 0.43102232720637973
Energy: 0.3948592798782163
Energy: 0.4023079990352101
Energy: 0.3830158912591491
Energy: 0.4023079990348516
Energy: 0.3830158912616584
Energy: 0.4023079990370024
Energy: 0.3830158912573568
Energy: 0.3445799592252339
Energy: 0.4607283131956821
Energy: 0.3445799592263093
Energy: 0.4607283131942482
Energy: 0.3445799592248754
Energy: 0.4607283131938897
Energy: 0.40424918708761015
Energy: 0.37620450454013526
Energy: 0.4042491870879686
Energy: 0.37620450454264454
Energy: 0.4042491870883271
Energy: 0.3762045045415691
Energy: 0.42710312512989496
Energy: 0.39958653436735075
Energy: 0.42695217627785975
Energy: 0.3705550230381262
Energy: 0.4271031251255934
Energy: 0.39958653436627534
Energy: 0.3961755927717452
Energy: 0.41999473197027465
Energy: 0.39604852375456673
Energy: 0.41999473197170845
Energy: 0.396175592768519
Energy: 0.41999473196884074
Energy: 0.3411645418028407
Energy: 0.3705630922698208
Energy: 0.34116454180212374
Energy: 0.37060911799923685
Energy: 0.34116454180248224
Energy: 0.37056309226731154
Energy: 0.3856576276131564
Energy: 0.34156219688302714
Energy: 0.3856576276095718
Energy: 0.3415621968851779
Energy: 0.38565762761208106
Energy: 0.3415621968812348
Energy: 0.38595576278030347
Energy: 0.39472781316474576
Energy: 0.3859557627788696
Energy: 0.39472781316510425
Energy: 0.3859557627785111
Energy: 0.3947278131686888
Energy: 0.3991226871194902
Energy: 0.4010969703935366
Energy: 0.39912205797816885
Energy: 0.40164845486887407
Energy: 0.39912268711626403
Energy: 0.4010969703885181
Energy: 0.4026888196532097
Energy: 0.37158738570620803
Energy: 0.4026890032142073
Energy: 0.37160140644801676
Energy: 0.4026888196510589
Energy: 0.3715873857072835
Energy: 0.4180915538265795
Energy: 0.48932190762901273
Energy: 0.4179788887145635
Energy: 0.48932190762972966
Energy: 0.41809155382550406
Energy: 0.48932190762686195
Energy: 0.4604623181252969
Energy: 0.3898858585284749
Energy: 0.4604623181256554
Energy: 0.3898858585284749
Energy: 0.4604623181242215
Energy: 0.3898858585288334
Energy: 0.39600585487330986
Energy: 0.344246767846679
Energy: 0.39600585487008366
Energy: 0.34424676785384833
Energy: 0.3960058548693667
Energy: 0.3442467678491883
Energy: 0.4208420071579464
Energy: 0.3704111125047163
Energy: 0.4208420071579464
Energy: 0.39951268079333047
Energy: 0.42084200715938025
Energy: 0.37041111250507464

minimum gb energy = 0.33739477440517024 eV
minimum distance =  2.75319977929876 Angstroms
sigma value = 43


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

Energy: 0.5088305115111136
Energy: 0.3687132287075104
Energy: 0.5088305115111136
Energy: 0.36871322870707
Energy: 0.5088305115111136
Energy: 0.3687132287075104
Energy: 0.38694794439292945
Energy: 0.3550382804845252
Energy: 0.38694794439292945
Energy: 0.3550382804845252
Energy: 0.3869479443933697
Energy: 0.3550382804845252
Energy: 0.3919909056995455
Energy: 0.4423593003952527
Energy: 0.3919909056995455
Energy: 0.4423593003948123
Energy: 0.3919909056995455
Energy: 0.4423593003948123
Energy: 0.35565136564969085
Energy: 0.36866860035377247
Energy: 0.35565136564969085
Energy: 0.36866860035377247
Energy: 0.35565136564881017
Energy: 0.36866860035377247
Energy: 0.3913296118179771
Energy: 0.38514044017234234
Energy: 0.3913296118179771
Energy: 0.38514044017146176
Energy: 0.3913296118179771
Energy: 0.38514044017190197
Energy: 0.3691614598054546
Energy: 0.38337026633494753
Energy: 0.36916145980501436
Energy: 0.3833702663353878
Energy: 0.36916145980589493
Energy: 0.38337026633406684
Energy: 0.37369379847341383
Energy: 0.4201769315480186
Energy: 0.3736937984729936
Energy: 0.4201769315480186
Energy: 0.37369379847737666
Energy: 0.4201769315484588
Energy: 0.3722554493963004
Energy: 0.3862994311442221
Energy: 0.37225544939541977
Energy: 0.3862994311442221
Energy: 0.3722554493963004
Energy: 0.3862994311442221
Energy: 0.42826712604785266
Energy: 0.3463975242315046
Energy: 0.4282671260474123
Energy: 0.3463975242315046
Energy: 0.42826712604697204
Energy: 0.3463975242315046
Energy: 0.3684353013896692
Energy: 0.38555522335972636
Energy: 0.3684353013892289
Energy: 0.38555522335972636
Energy: 0.3684353013896692
Energy: 0.38555522335972636
Energy: 0.3962117094168382
Energy: 0.36318037904318273
Energy: 0.39621170941727857
Energy: 0.3631803790427424
Energy: 0.39621170941639794
Energy: 0.36318037904318273
Energy: 0.37209702160258395
Energy: 0.37814825742548736
Energy: 0.3720970216030243
Energy: 0.3781482574259277
Energy: 0.3720970216030243
Energy: 0.37814825742548736
Energy: 0.40003779375069803
Energy: 0.38387441467661654
Energy: 0.40003779374761583
Energy: 0.38387441467661654
Energy: 0.40003779374805615
Energy: 0.3838744146770568
Energy: 0.3451846848332474
Energy: 0.3855920331809942
Energy: 0.3451846848332474
Energy: 0.3855920331809942
Energy: 0.3451846848332474
Energy: 0.3855920331809942
Energy: 0.3952564333929134
Energy: 0.3861220788742299
Energy: 0.3952564333924731
Energy: 0.3861220788742299
Energy: 0.39525643339335376
Energy: 0.3861220788742299
Energy: 0.3777314464522286
Energy: 0.40118324421330426
Energy: 0.3777314464517883
Energy: 0.40118324421330426
Energy: 0.3777314464526689
Energy: 0.40118324421330426
Energy: 0.39561664030280963
Energy: 0.35535998194001
Energy: 0.39561664030325
Energy: 0.35535998194001
Energy: 0.39561664030325
Energy: 0.35535998193956964
Energy: 0.4200297950262086
Energy: 0.37838689940887954
Energy: 0.420029795025328
Energy: 0.37838689940931974
Energy: 0.4200297950257682
Energy: 0.37838689940843917
Energy: 0.4200321999866008
Energy: 0.3666073928819857
Energy: 0.42003219998704117
Energy: 0.36660739288242605
Energy: 0.4200321999866008
Energy: 0.36660739288242605
Energy: 0.39558466498758205
Energy: 0.3554514119838527
Energy: 0.39558466498758205
Energy: 0.3554514119842929
Energy: 0.3955846649880224
Energy: 0.3554514119838527
Energy: 0.3775595553156311
Energy: 0.3636781422810768
Energy: 0.37755955531519086
Energy: 0.36367814228151707
Energy: 0.37755955531475055
Energy: 0.3636781422801962
Energy: 0.41983098940605307
Energy: 0.3987251221530374
Energy: 0.41983098940649344
Energy: 0.3987251221530374
Energy: 0.41983098940605307
Energy: 0.3987251221530374
Energy: 0.34523177590044096
Energy: 0.39840928590943564
Energy: 0.34523177590088133
Energy: 0.39840928590943564
Energy: 0.34523177590088133
Energy: 0.39840928590943564
Energy: 0.40873172932138674
Energy: 0.38435951399474755
Energy: 0.40873172932226737
Energy: 0.3843595139951879
Energy: 0.40873172932138674
Energy: 0.38435951399474755
Energy: 0.3718536200428669
Energy: 0.36649515255046305
Energy: 0.37185362004242656
Energy: 0.36649515255046305
Energy: 0.3718536200428669
Energy: 0.36649515255046305
Energy: 0.4199473916193279
Energy: 0.3899134227948057
Energy: 0.41994739161888756
Energy: 0.3899134227948057
Energy: 0.41994739161888756
Energy: 0.3899134227948057
Energy: 0.36617904532018014
Energy: 0.3550893196269892
Energy: 0.36617904532018014
Energy: 0.35508931962742957
Energy: 0.36617904532018014
Energy: 0.35508931962742957
Energy: 0.39436446759465443
Energy: 0.34631873081544035
Energy: 0.39436446759509475
Energy: 0.34631873081544035
Energy: 0.394364467595535
Energy: 0.34631873081544035
Energy: 0.37197201963835785
Energy: 0.3865567649004435
Energy: 0.3719720196379175
Energy: 0.38655676490088386
Energy: 0.3719720196387981
Energy: 0.3865567649000033
Energy: 0.39438913178716234
Energy: 0.3883627787640536
Energy: 0.39438913178716234
Energy: 0.3883627787640536
Energy: 0.39438913178716234
Energy: 0.38836277876361336
Energy: 0.3691578035642655
Energy: 0.383408471426784
Energy: 0.3691578035638251
Energy: 0.383408471426784
Energy: 0.3691578035642655
Energy: 0.383408471426784

minimum gb energy = 0.3451846848332474 eV
minimum distance =  2.73017586125988 Angstroms
sigma value = 57


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

Energy: 0.4149529875989865
Energy: 0.35491827690431643
Energy: 0.4149529875989865
Energy: 0.35491827690431643
Energy: 0.4149529875989865
Energy: 0.35491827690431643
Energy: 0.37959781486102934
Energy: 0.33883802555969894
Energy: 0.3795978148604593
Energy: 0.33883802555855874
Energy: 0.37959781486102934
Energy: 0.33883802555969894
Energy: 0.3807964375175401
Energy: 0.4296598468720249
Energy: 0.3807964375175401
Energy: 0.4296598468720249
Energy: 0.3807964375175401
Energy: 0.4296598468714548
Energy: 0.379248288742405
Energy: 0.39083078320297665
Energy: 0.37924828874126476
Energy: 0.39083078320183645
Energy: 0.379248288742405
Energy: 0.39083078320240655
Energy: 0.38203927629444434
Energy: 0.39003591363858775
Energy: 0.3820392762927341
Energy: 0.39003591363744755
Energy: 0.38203927629444434
Energy: 0.39003591363744755
Energy: 0.3808050909952909
Energy: 0.37340317268900136
Energy: 0.3808050909952909
Energy: 0.37340317268957146
Energy: 0.38080509099757137
Energy: 0.3734031726884312
Energy: 0.3898673265062424
Energy: 0.4214431079105313
Energy: 0.3898673265068125
Energy: 0.4214431079105313
Energy: 0.38986732650567235
Energy: 0.42144310791110146
Energy: 0.37872055513079733
Energy: 0.3555927171068519
Energy: 0.37872055513022723
Energy: 0.3555927171068519
Energy: 0.37872055513022723
Energy: 0.355592717107422
Energy: 0.3762888742052163
Energy: 0.33766240026652
Energy: 0.3762888742052163
Energy: 0.3376624002670901
Energy: 0.37628887420464624
Energy: 0.33766240026652
Energy: 0.33527656412194157
Energy: 0.37188874879390926
Energy: 0.33527656412251167
Energy: 0.37188874879390926
Energy: 0.33527656412194157
Energy: 0.37188874879333916
Energy: 0.38984926000341696
Energy: 0.39146856523772106
Energy: 0.3898492600028469
Energy: 0.39146856523772106
Energy: 0.3898492600039871
Energy: 0.39146856523772106
Energy: 0.3736439773681206
Energy: 0.41724057764628036
Energy: 0.37364397736641025
Energy: 0.41724057764742056
Energy: 0.3736439773675505
Energy: 0.4172405776457102
Energy: 0.38967569257770934
Energy: 0.33771477113692017
Energy: 0.3896756925782535
Energy: 0.33771477113635007
Energy: 0.38967569257770934
Energy: 0.33771477113635007
Energy: 0.3934662583064456
Energy: 0.3400326947584788
Energy: 0.3934662583058755
Energy: 0.3400326947584788
Energy: 0.39346625830701565
Energy: 0.3400326947584788
Energy: 0.3709086357737877
Energy: 0.3397735867021045
Energy: 0.3709086357737877
Energy: 0.33977358670153446
Energy: 0.3709086357737877
Energy: 0.33977358670153446
Energy: 0.37356146667384227
Energy: 0.36700320918057405
Energy: 0.37356146667384227
Energy: 0.36700320918057405
Energy: 0.37356146667384227
Energy: 0.36700320918057405
Energy: 0.336413562776061
Energy: 0.3792463995246215
Energy: 0.3364135627749208
Energy: 0.3792463995251917
Energy: 0.3364135627749208
Energy: 0.3792463995246215
Energy: 0.3891095655843192
Energy: 0.38743075758987805
Energy: 0.3891095655837491
Energy: 0.3874307575893079
Energy: 0.3891095655843192
Energy: 0.38743075758987805
Energy: 0.33642253995120336
Energy: 0.3792083847271524
Energy: 0.33642253995177346
Energy: 0.3792083847271524
Energy: 0.33642253995063326
Energy: 0.3792083847271524
Energy: 0.37355556029349685
Energy: 0.36705123894978736
Energy: 0.37355556029292675
Energy: 0.36705123894921726
Energy: 0.37355556029292675
Energy: 0.36705123894978736
Energy: 0.37095397864962787
Energy: 0.3450088641357205
Energy: 0.3709539786490578
Energy: 0.3450088641357205
Energy: 0.37095397864848767
Energy: 0.3450088641357205
Energy: 0.3935431359762399
Energy: 0.3568228845807449
Energy: 0.3935431359779502
Energy: 0.3568228845807449
Energy: 0.39354313597738005
Energy: 0.3568228845807449
Energy: 0.3896959502897878
Energy: 0.3376544035708177
Energy: 0.3896959502892177
Energy: 0.3376544035713878
Energy: 0.3896959502892177
Energy: 0.3376544035708177
Energy: 0.37366201880532696
Energy: 0.4171311065799493
Energy: 0.37366201880532696
Energy: 0.4171311065799493
Energy: 0.3736620188058971
Energy: 0.4171311065788091

minimum gb energy = 0.33527656412194157 eV
minimum distance =  2.73948955182756 Angstroms
sigma value = 17


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

Energy: 0.39986098627228633
Energy: 0.3547419637371063
Energy: 0.39986098627228633
Energy: 0.3547419637371063
Energy: 0.3998609862730926
Energy: 0.3547419637371063
Energy: 0.34602719088148337
Energy: 0.33509511270672027
Energy: 0.34602719088148337
Energy: 0.33509511270672027
Energy: 0.34602719088148337
Energy: 0.33509511270672027
Energy: 0.38197548830873584
Energy: 0.4014937478970338
Energy: 0.38197548830873584
Energy: 0.4014937478970338
Energy: 0.38197548830873584
Energy: 0.40149374789784004
Energy: 0.3181389202630709
Energy: 0.3949177816726722
Energy: 0.31813892026387713
Energy: 0.39491778167186603
Energy: 0.31813892026387713
Energy: 0.39491778167186603
Energy: 0.3987550560297359
Energy: 0.37837093639973657
Energy: 0.39875505603052375
Energy: 0.37837093639973657
Energy: 0.3987550560297359
Energy: 0.3783709364005428
Energy: 0.36258209163676786
Energy: 0.3915652439357881
Energy: 0.36258209163676786
Energy: 0.3915652439357881
Energy: 0.36258209163757404
Energy: 0.3915652439357881
Energy: 0.37619614880997687
Energy: 0.34253770981456955
Energy: 0.37619614881078317
Energy: 0.34253770981376325
Energy: 0.37619614880997687
Energy: 0.34253770981456955
Energy: 0.3183303907184897
Energy: 0.3951011018971499
Energy: 0.31833039071768343
Energy: 0.39510110189795616
Energy: 0.31833039071768343
Energy: 0.3951011018971499
Energy: 0.3719440427086242
Energy: 0.33524349724635366
Energy: 0.3719440427086242
Energy: 0.33524349724635366
Energy: 0.3719440427078179
Energy: 0.33524349724635366
Energy: 0.38758463301407375
Energy: 0.3405740482005374
Energy: 0.38758463301407375
Energy: 0.3405740482005374
Energy: 0.38758463301407375
Energy: 0.34057404819973114
Energy: 0.3559739959337423
Energy: 0.3940429547760885
Energy: 0.3559739959337423
Energy: 0.3940429547760885
Energy: 0.3559739959345486
Energy: 0.3940429547760885
Energy: 0.3748228461726895
Energy: 0.33571048740149895
Energy: 0.3748228461734958
Energy: 0.33571048740149895
Energy: 0.3748228461726895
Energy: 0.33571048739988646
Energy: 0.3218047690826748
Energy: 0.39456032716423145
Energy: 0.3218047690826748
Energy: 0.39456032716342515
Energy: 0.3218047690826748
Energy: 0.39456032716423145
Energy: 0.36248329709867855
Energy: 0.38642341322854984
Energy: 0.36248329709948485
Energy: 0.38642341322854984
Energy: 0.36248329709948485
Energy: 0.38642341322854984
Energy: 0.36220432254005436
Energy: 0.44612805906151515
Energy: 0.36220432253924817
Energy: 0.44612805906151515
Energy: 0.36220432253844187
Energy: 0.44612805906151515
Energy: 0.36205767477289913
Energy: 0.39634262384273594
Energy: 0.36205767477370543
Energy: 0.39634262384273594
Energy: 0.36205767477370543
Energy: 0.39634262384273594
Energy: 0.3619763938896214
Energy: 0.3843736129744713
Energy: 0.3619763938896214
Energy: 0.3843736129744713
Energy: 0.3619763938896214
Energy: 0.3843736129744713

minimum gb energy = 0.3181389202630709 eV
minimum distance =  2.68624950745174 Angstroms
sigma value = 17


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

Energy: 0.37138611874120797
Energy: 0.3279215624069049
Energy: 0.37138611874120797
Energy: 0.3279215624065936
Energy: 0.3713861187415193
Energy: 0.3279215624069049
Energy: 0.333733390071747
Energy: 0.3185122455830626
Energy: 0.3337333900701903
Energy: 0.3185122455830626
Energy: 0.3337333900698789
Energy: 0.31851224558275126
Energy: 0.3643334145631281
Energy: 0.34018441336181504
Energy: 0.36433341456188273
Energy: 0.34018441336212635
Energy: 0.36433341456375085
Energy: 0.34018441336181504
Energy: 0.3018029810233669
Energy: 0.3473688896852894
Energy: 0.3018029810227441
Energy: 0.34736888968497803
Energy: 0.3018029810249236
Energy: 0.3473688896852894
Energy: 0.3858280339297005
Energy: 0.31462860497016387
Energy: 0.38582803393094584
Energy: 0.31462860497016387
Energy: 0.38582803393001175
Energy: 0.31462860496954115
Energy: 0.34932476122847184
Energy: 0.3192123486791689
Energy: 0.34932476122816053
Energy: 0.31921234867948023
Energy: 0.34932476122816053
Energy: 0.3192123486791689
Energy: 0.3337392387875237
Energy: 0.33420363594918295
Energy: 0.33373923878876904
Energy: 0.3342036359494943
Energy: 0.33373923878908046
Energy: 0.3342036359494943
Energy: 0.3354415582727804
Energy: 0.37250283160112024
Energy: 0.3354415582727804
Energy: 0.37250283160018616
Energy: 0.33544155827215766
Energy: 0.3725028315992522
Energy: 0.3469198360999909
Energy: 0.34943124261563524
Energy: 0.3469198360990569
Energy: 0.3494312426140785
Energy: 0.3469198361003022
Energy: 0.34943124261563524
Energy: 0.33294391018439373
Energy: 0.2967459503970877
Energy: 0.3329439101850164
Energy: 0.2967459503973989
Energy: 0.33294391018470504
Energy: 0.2967459503970877
Energy: 0.3004606964993154
Energy: 0.4152723657813306
Energy: 0.30046069649869267
Energy: 0.4152723657813306
Energy: 0.3004606964993154
Energy: 0.4152723657813306
Energy: 0.3653142744634284
Energy: 0.31693081116210386
Energy: 0.36531427446311693
Energy: 0.31693081116148114
Energy: 0.3653142744634284
Energy: 0.3169308111617925
Energy: 0.33236750510273394
Energy: 0.3209157428703848
Energy: 0.33236750510429064
Energy: 0.3209157428703848
Energy: 0.3323675051033566
Energy: 0.3209157428694508
Energy: 0.3302360070815944
Energy: 0.37057047261311565
Energy: 0.3302360070825284
Energy: 0.37057047261311565
Energy: 0.3302360070819057
Energy: 0.37057047261311565
Energy: 0.35510917474083664
Energy: 0.3557088907609588
Energy: 0.3551091747402139
Energy: 0.3557088907603361
Energy: 0.3551091747371005
Energy: 0.3557088907622042
Energy: 0.30502613251495037
Energy: 0.3634842958634914
Energy: 0.30502613251463906
Energy: 0.3634842958628686
Energy: 0.3050261325143277
Energy: 0.3634842958634914
Energy: 0.33614903630042653
Energy: 0.3431585473022881
Energy: 0.33614903630042653
Energy: 0.34315854730291073
Energy: 0.33614903630011517
Energy: 0.3431585473025995
Energy: 0.3481691363914176
Energy: 0.3511924315197594
Energy: 0.3481691363895496
Energy: 0.35119243152007074
Energy: 0.3481691363929744
Energy: 0.35119243152007074
Energy: 0.3350913538634056
Energy: 0.3506335516522442
Energy: 0.3350913538649623
Energy: 0.3506335516516216
Energy: 0.3350913538640283
Energy: 0.35063355165068755
Energy: 0.33536156400316863
Energy: 0.3376583932639649
Energy: 0.33536156400379136
Energy: 0.3376583932642762
Energy: 0.33536156400348
Energy: 0.3376583932642762
Energy: 0.33503474227391106
Energy: 0.3458233873267407
Energy: 0.33503474227481683
Energy: 0.34582338732642937
Energy: 0.335034742272043
Energy: 0.3458233873248726
Energy: 0.3480197898668377
Energy: 0.3511700341591749
Energy: 0.34801978986901705
Energy: 0.35117003415886355
Energy: 0.34801978986746035
Energy: 0.35117003415886355
Energy: 0.33609916179941557
Energy: 0.3430104564542872
Energy: 0.3360991617978588
Energy: 0.34301045645397577
Energy: 0.33609916179879284
Energy: 0.3430104564542872
Energy: 0.3049230051937503
Energy: 0.3784241759697638
Energy: 0.304923005194373
Energy: 0.37842417596698996
Energy: 0.3049230051934389
Energy: 0.37842417596851835
Energy: 0.35499301859415233
Energy: 0.35564601041254473
Energy: 0.35499301859321825
Energy: 0.35564601041129934
Energy: 0.3549930185957091
Energy: 0.3556460104144128
Energy: 0.3301942148444969
Energy: 0.3704586936387812
Energy: 0.33019421484387423
Energy: 0.3704586936375358
Energy: 0.33019421484356287
Energy: 0.3704586936387812
Energy: 0.33235583653167305
Energy: 0.32078964866371734
Energy: 0.3323558365329184
Energy: 0.3207896486649627
Energy: 0.3323558365329184
Energy: 0.3207896486640286
Energy: 0.3651462205852582
Energy: 0.31694012690633483
Energy: 0.3651462205865036
Energy: 0.31694012690633483
Energy: 0.3651462205852582
Energy: 0.31694012690664614
Energy: 0.3005244337087433
Energy: 0.41526041734532326
Energy: 0.3005244337109228
Energy: 0.41526041734501185
Energy: 0.30052443370936605
Energy: 0.41526041734501185
Energy: 0.33284331649925264
Energy: 0.34981313319877577
Energy: 0.33284331649613913
Energy: 0.349813133199087
Energy: 0.33284331649831855
Energy: 0.349813133199087
Energy: 0.34662778080409273
Energy: 0.34919218656992024
Energy: 0.3466277808047154
Energy: 0.3491921865708542
Energy: 0.3466277808053381
Energy: 0.34919218657023154
Energy: 0.3352394254504067
Energy: 0.3730653860062079
Energy: 0.33523942545071805
Energy: 0.3730653860077646
Energy: 0.33523942545009533
Energy: 0.3730653860062079
Energy: 0.333718990670957
Energy: 0.3341245844267125
Energy: 0.3337189906675322
Energy: 0.3341245844288919
Energy: 0.33371899066971156
Energy: 0.33412458442764653
Energy: 0.34920100549261585
Energy: 0.3198132159566994
Energy: 0.3492010054919931
Energy: 0.3198132159563882
Energy: 0.3492010054916818
Energy: 0.3198132159557654
Energy: 0.38582990573025516
Energy: 0.3146430301203304
Energy: 0.38582990572932113
Energy: 0.3146430301218871
Energy: 0.38582990573243464
Energy: 0.31464303012126443
Energy: 0.30172135445235315
Energy: 0.34777600295097
Energy: 0.3017213544532872
Energy: 0.34777600295097
Energy: 0.3017213544514191
Energy: 0.34777600295128136
Energy: 0.36426709217442216
Energy: 0.3401598609802629
Energy: 0.3642670921737995
Energy: 0.3401598609793289
Energy: 0.3642670921737995
Energy: 0.34015986097995154
Energy: 0.33373964167997355
Energy: 0.3188395064395898
Energy: 0.3337396416787281
Energy: 0.3188395064430146
Energy: 0.3337396416805962
Energy: 0.3188395064402125
Energy: 0.3713861187399625
Energy: 0.32792156240472553
Energy: 0.3713861187399625
Energy: 0.32792156240503684
Energy: 0.3713861187399625
Energy: 0.32792156240503684
Energy: 0.3337333900720584
Energy: 0.31851224558275126
Energy: 0.3337333900670768
Energy: 0.3185122455824399
Energy: 0.33373339007143565
Energy: 0.3185122455830626
Energy: 0.3643334145621941
Energy: 0.34018441335932426
Energy: 0.36433341456250545
Energy: 0.34018441335932426
Energy: 0.36433341456250545
Energy: 0.3401844133590129
Energy: 0.3018029810214988
Energy: 0.35906958455538135
Energy: 0.3018029810227441
Energy: 0.35906958455538135
Energy: 0.30180298102181013
Energy: 0.35906958455538135
Energy: 0.38582803393655013
Energy: 0.3146286049686071
Energy: 0.3858280339340593
Energy: 0.3146286049670504
Energy: 0.3858280339353047
Energy: 0.31462860496829576

minimum gb energy = 0.2967459503970877 eV
minimum distance =  2.73406613110053 Angstroms
sigma value = 57


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

Energy: 0.30851703264543534
Energy: 0.3062213605104323
Energy: 0.308517032648477
Energy: 0.3062213605104323
Energy: 0.3085170326474631
Energy: 0.3062213605104323
Energy: 0.3681794887896166
Energy: 0.30019328843092535
Energy: 0.3681794887896166
Energy: 0.30019328843143234
Energy: 0.3681794887886027
Energy: 0.30019328843092535
Energy: 0.3507508437935586
Energy: 0.3203947138864926
Energy: 0.3507508437930516
Energy: 0.3203947138864926
Energy: 0.3507508437935586
Energy: 0.3203947138864926
Energy: 0.31684435101324726
Energy: 0.33694441222297705
Energy: 0.3168443510137542
Energy: 0.33694441222348404
Energy: 0.31684435101324726
Energy: 0.33694441222297705
Energy: 0.3558902443424259
Energy: 0.28056928249939195
Energy: 0.3558902443439468
Energy: 0.28056928249787116
Energy: 0.3558902443444537
Energy: 0.2805692824983781
Energy: 0.33539279870851174
Energy: 0.3001640481590629
Energy: 0.33539279870800476
Energy: 0.3001640481565282
Energy: 0.33539279870749783
Energy: 0.3001640481590629
Energy: 0.2862269036287273
Energy: 0.3230851787787254
Energy: 0.2862269036287273
Energy: 0.3230851787782184
Energy: 0.28622690362568565
Energy: 0.32308517877923226
Energy: 0.40135877401782827
Energy: 0.31498778875238587
Energy: 0.40135877401782827
Energy: 0.31498778875137196
Energy: 0.40135877401782827
Energy: 0.3149877887533998
Energy: 0.30659616450883737
Energy: 0.3014566076191117
Energy: 0.30659616450883737
Energy: 0.3014566076186047
Energy: 0.30659616450883737
Energy: 0.3014566076191117
Energy: 0.3097252710694201
Energy: 0.3115532103802964
Energy: 0.3097252710684062
Energy: 0.3115532103802964
Energy: 0.3097252710684062
Energy: 0.3115532103802964
Energy: 0.28676056222577284
Energy: 0.3899550986944664
Energy: 0.28676056222323804
Energy: 0.38995509869395945
Energy: 0.286760562223745
Energy: 0.3899550986944664
Energy: 0.3179384287427382
Energy: 0.28786536083340397
Energy: 0.3179384287432452
Energy: 0.28786536083340397
Energy: 0.3179384287442591
Energy: 0.287865360832897
Energy: 0.309670668805621
Energy: 0.32812887714516087
Energy: 0.309670668805621
Energy: 0.32812887714566785
Energy: 0.309670668806128
Energy: 0.3281288771461748
Energy: 0.2875619148285531
Energy: 0.36869980140424485
Energy: 0.2875619148280461
Energy: 0.368699801403738
Energy: 0.28756191482703225
Energy: 0.368699801403738
Energy: 0.3446335770422298
Energy: 0.3006217543152881
Energy: 0.34463357704172287
Energy: 0.3006217543152881
Energy: 0.3446335770427368
Energy: 0.30062175431478116
Energy: 0.3081392848765781
Energy: 0.3087189584491004
Energy: 0.30813928487404335
Energy: 0.30871895844808656
Energy: 0.3081392848755642
Energy: 0.30871895844808656
Energy: 0.3149898249234729
Energy: 0.359944484313045
Energy: 0.3149898249234729
Energy: 0.359944484313045
Energy: 0.3149898249229659
Energy: 0.35994448431253806
Energy: 0.331561323563257
Energy: 0.33095061848184876
Energy: 0.3315613235668057
Energy: 0.3309506184813418
Energy: 0.33156132356477785
Energy: 0.3309506184813418
Energy: 0.29342397455144154
Energy: 0.37489455175446235
Energy: 0.2934239745509346
Energy: 0.37489455175446235
Energy: 0.2934239745504276
Energy: 0.37489455175496933
Energy: 0.2881378693914219
Energy: 0.333994561403917
Energy: 0.28813786939091496
Energy: 0.3339945614044239
Energy: 0.2881378693914219
Energy: 0.333994561403917
Energy: 0.32711480676615307
Energy: 0.40012209973780294
Energy: 0.32711480676209753
Energy: 0.40012209973780294
Energy: 0.32711480676868776
Energy: 0.40012209973780294
Energy: 0.2948503596497152
Energy: 0.3771702835004902
Energy: 0.2948503596507291
Energy: 0.3771702835015041
Energy: 0.29485035964920825
Energy: 0.3771702835004902
Energy: 0.3130973310230025
Energy: 0.3202514353012407
Energy: 0.3130973310214817
Energy: 0.3202514353022546
Energy: 0.3130973310224956
Energy: 0.3202514353012407
Energy: 0.32326144364431725
Energy: 0.39703805318170626
Energy: 0.32326144364381026
Energy: 0.39703805318119934
Energy: 0.32326144364431725
Energy: 0.39703805318170626
Energy: 0.3255167728837765
Energy: 0.40921917188745355
Energy: 0.32551677288124176
Energy: 0.40921917188745355
Energy: 0.3255167728832696
Energy: 0.40921917188745355
Energy: 0.30795663743271234
Energy: 0.3191213119163467
Energy: 0.3079566374306846
Energy: 0.3191213119163467
Energy: 0.30795663743169843
Energy: 0.31912131191685356
Energy: 0.29259760066406254
Energy: 0.37477321663764174
Energy: 0.2925976006630486
Energy: 0.3747732166371348
Energy: 0.2925976006635555
Energy: 0.37477321663764174

minimum gb energy = 0.28056928249787116 eV
minimum distance =  2.67112695804179 Angstroms
sigma value = 43


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

Energy: 0.291317792757605
Energy: 0.28020603995317944
Energy: 0.29131779275797437
Energy: 0.2802060399535488
Energy: 0.29131779275686626
Energy: 0.28020603995317944
Energy: 0.3118300412261796
Energy: 0.2801250471681054
Energy: 0.3118300412261796
Energy: 0.2801250471681054
Energy: 0.3118300412261796
Energy: 0.28012504716847475
Energy: 0.31808275618962595
Energy: 0.29860460820971046
Energy: 0.31808275619036463
Energy: 0.29860460821044915
Energy: 0.31808275618962595
Energy: 0.29860460820860235
Energy: 0.28066485774833466
Energy: 0.29390413224853434
Energy: 0.280664857748704
Energy: 0.29390413224853434
Energy: 0.2806648577501815
Energy: 0.29390413224853434
Energy: 0.31100236811092324
Energy: 0.26830306609692633
Energy: 0.3110023681124007
Energy: 0.26830306609655696
Energy: 0.31100236811203136
Energy: 0.26830306609692633
Energy: 0.2910274811949489
Energy: 0.2717226306175322
Energy: 0.2910274811942102
Energy: 0.2717226306175322
Energy: 0.2910274811942102
Energy: 0.2717226306175322
Energy: 0.27855418160693823
Energy: 0.28469802126698707
Energy: 0.27855418160656886
Energy: 0.2846980212662483
Energy: 0.27855418160619955
Energy: 0.2846980212662483
Energy: 0.3102500392211609
Energy: 0.26776923707977174
Energy: 0.3102500392178366
Energy: 0.26776923707940237
Energy: 0.31025003923187244
Energy: 0.26776923707940237
Energy: 0.27861714647401753
Energy: 0.2695462547611272
Energy: 0.27861714647364816
Energy: 0.2695462547614966
Energy: 0.2786171464743869
Energy: 0.2695462547614966
Energy: 0.31068805171332003
Energy: 0.2712019692982568
Energy: 0.31068805171332003
Energy: 0.27120196929936496
Energy: 0.31068805171332003
Energy: 0.27120196929936496
Energy: 0.33780036510931194
Energy: 0.329996008703203
Energy: 0.33780036511042
Energy: 0.32999600870283363
Energy: 0.3378003651100506
Energy: 0.32999600870283363
Energy: 0.2652672327700487
Energy: 0.2704072752858184
Energy: 0.2652672327711568
Energy: 0.27040727528544906
Energy: 0.2652672327715262
Energy: 0.2704072752865572
Energy: 0.30962216996628866
Energy: 0.2637904324761116
Energy: 0.3096221699659193
Energy: 0.26379043247648093
Energy: 0.30962216996665803
Energy: 0.26379043247648093
Energy: 0.33995847446182337
Energy: 0.29719388994842955
Energy: 0.3399584744621927
Energy: 0.29719388994842955
Energy: 0.33995847446182337
Energy: 0.29719388994842955
Energy: 0.27246073451760694
Energy: 0.2711535792195853
Energy: 0.2724607345153908
Energy: 0.27115357921921596
Energy: 0.2724607345183457
Energy: 0.2711535792195853
Energy: 0.2849469639858405
Energy: 0.2974687795355208
Energy: 0.2849469639865792
Energy: 0.29746877953515144
Energy: 0.2849469639858405
Energy: 0.2974687795347821
Energy: 0.3390699810479634
Energy: 0.2959419362020664
Energy: 0.3390699810472247
Energy: 0.2959419362020664
Energy: 0.33906998104833275
Energy: 0.29594193620243575
Energy: 0.28264732473941234
Energy: 0.2652531931231543
Energy: 0.28264732473941234
Energy: 0.26525319312167683
Energy: 0.28264732473941234
Energy: 0.2652531931242624
Energy: 0.27258209188653865
Energy: 0.302220448497992
Energy: 0.27258209188653865
Energy: 0.3022204484983614
Energy: 0.2725820918861693
Energy: 0.3022204484983614
Energy: 0.28373719239560985
Energy: 0.26732088555249106
Energy: 0.28373719239453526
Energy: 0.26732088555138295
Energy: 0.2837371923952405
Energy: 0.26732088555286043
Energy: 0.3022921494951148
Energy: 0.2717108228410901
Energy: 0.30229214949437605
Energy: 0.2717108228425676
Energy: 0.3022921494947454
Energy: 0.271710822844045
Energy: 0.284889578925462
Energy: 0.3085746082340451
Energy: 0.28488957892472333
Energy: 0.3085746082333064
Energy: 0.28488957892472333
Energy: 0.3085746082336757
Energy: 0.2938965501514263
Energy: 0.30948694808646715
Energy: 0.28299580850342754
Energy: 0.30948694808720584
Energy: 0.29389655014773264
Energy: 0.30948694808683647
Energy: 0.2948549063740452
Energy: 0.2717162728899687
Energy: 0.29485490637330647
Energy: 0.27171627289107675
Energy: 0.2948549063747839
Energy: 0.27171627289107675
Energy: 0.25858168505799956
Energy: 0.26803764689972975
Energy: 0.2585816850572608
Energy: 0.2680376468993604
Energy: 0.2585816850576302
Energy: 0.2680376469008378
Energy: 0.26607152883695906
Energy: 0.294721115593411
Energy: 0.2660715288376978
Energy: 0.2947211155930417
Energy: 0.2660715288376978
Energy: 0.294721115593411
Energy: 0.29312373010528464
Energy: 0.2655510900828451
Energy: 0.29312373010528464
Energy: 0.2655510900813677
Energy: 0.29312373010491527
Energy: 0.2655510900828451
Energy: 0.24579811822452455
Energy: 0.3020832535924979
Energy: 0.24579811822489392
Energy: 0.3020832535921285
Energy: 0.24579811822415518
Energy: 0.3020832535921285
Energy: 0.2659130245148635
Energy: 0.27683990729005864
Energy: 0.2659130245148635
Energy: 0.27683990729005864
Energy: 0.26591302451523285
Energy: 0.27683990729005864
Energy: 0.2698060515302689
Energy: 0.2691627467101776
Energy: 0.2698060515302689
Energy: 0.26916274670833085
Energy: 0.2698060515298995
Energy: 0.2691627467094389
Energy: 0.24119265481409324
Energy: 0.3036416307928678
Energy: 0.24119265481372393
Energy: 0.30364163078806605
Energy: 0.24119265481298519
Energy: 0.3036416307902823
Energy: 0.26603968984999843
Energy: 0.26847577278929374
Energy: 0.26603968984962906
Energy: 0.26847577278929374
Energy: 0.26603968984925974
Energy: 0.26847577278892437
Energy: 0.2630937086009417
Energy: 0.26811250332563047
Energy: 0.2630937086009417
Energy: 0.26811250332378367
Energy: 0.26309370860057235
Energy: 0.26811250332156744
Energy: 0.3366367780925654
Energy: 0.2994142343469106
Energy: 0.33663677809293474
Energy: 0.29941423434506376
Energy: 0.33663677809293474
Energy: 0.29941423434654124
Energy: 0.26680171040953277
Energy: 0.2618141179062126
Energy: 0.26680171040953277
Energy: 0.26181411790584325
Energy: 0.26680171040953277
Energy: 0.26181411790584325
Energy: 0.24081186290288054
Energy: 0.3007814539097083
Energy: 0.2408118629032499
Energy: 0.30078145391007766
Energy: 0.24081186290288054
Energy: 0.30078145390933897

minimum gb energy = 0.24081186290288054 eV
minimum distance =  2.66703308714323 Angstroms
sigma value = 81


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

Energy: 0.1343162794369509
Energy: 0.15172728591179038
Energy: 0.030685989635097617
Energy: 0.15172728591179038
Energy: 0.1343162794369509
Energy: 0.15172728591314752
Energy: 0.32628079230585794
Energy: 0.031381702851496815
Energy: 0.32628079230585794
Energy: 0.031381702851496815
Energy: 0.32628079230585794
Energy: 0.031381702851496815
Energy: 0.31611791001931056
Energy: 0.031236541640704444
Energy: 0.31611791001931056
Energy: 0.031236541639347314
Energy: 0.31611791001931056
Energy: 0.031236541640704444
Energy: 0.030685989635097617
Energy: 0.15172728591179038
Energy: 0.030685989635097617
Energy: 0.15172728591179038
Energy: 0.030685989635097617
Energy: 0.15172728591179038
Energy: 0.32628079230585794
Energy: 0.031381702884067886
Energy: 0.32628079230585794
Energy: 0.031381702882710756
Energy: 0.32628079230585794
Energy: 0.031381702885425015
Energy: 0.31611791002066764
Energy: 0.031236541642061577
Energy: 0.31611791001931056
Energy: 0.031236541640704444
Energy: 0.31611791002066764
Energy: 0.031236541640704444
Energy: 0.1343162794369509
Energy: 0.15172728591043327
Energy: 0.030685989635097617
Energy: 0.15172728591043327
Energy: 0.1343162794369509
Energy: 0.15172728591179038
Energy: 0.32628079230585794
Energy: 0.03138170291932237
Energy: 0.32628079230585794
Energy: 0.03138170291932237
Energy: 0.32628079230585794
Energy: 0.03138170291796524
Energy: 0.31611791002066764
Energy: 0.031236541640704444
Energy: 0.31611791001931056
Energy: 0.031236541640704444
Energy: 0.31611791001931056
Energy: 0.031236541640704444
Energy: 0.030685989635097617
Energy: 0.15172728591179038
Energy: 0.030685989635097617
Energy: 0.15172728591179038
Energy: 0.030685989635097617
Energy: 0.15172728591179038

minimum gb energy = 0.030685989635097617 eV
minimum distance =  2.81478902025146 Angstroms
sigma value = 3


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

Energy: 0.3220080034357556
Energy: 0.2608099101850436
Energy: 0.3220080034361617
Energy: 0.2608099101850436
Energy: 0.3220080034361617
Energy: 0.2608099101846375
Energy: 0.26849957497376487
Energy: 0.26913259868375145
Energy: 0.26849957497376487
Energy: 0.26913259868375145
Energy: 0.26849957497335875
Energy: 0.2691325986833453
Energy: 0.27850712134431266
Energy: 0.26982920918358516
Energy: 0.2785071213447188
Energy: 0.26982920918399134
Energy: 0.2785071213439065
Energy: 0.26982920918358516
Energy: 0.302274571564034
Energy: 0.27274338373993345
Energy: 0.3022745715644401
Energy: 0.27274338373993345
Energy: 0.302274571564034
Energy: 0.27274338374033963
Energy: 0.22603326225700596
Energy: 0.2707386450580405
Energy: 0.22603326225700596
Energy: 0.2707386450580405
Energy: 0.22603326225700596
Energy: 0.27073864505885276
Energy: 0.2794081563913982
Energy: 0.2839861060313603
Energy: 0.2794081563913982
Energy: 0.2839861060313603
Energy: 0.2794081563913982
Energy: 0.2839861060313603
Energy: 0.28349343990317316
Energy: 0.2615619110322846
Energy: 0.28349343990317316
Energy: 0.2615619110322846
Energy: 0.28349343990317316
Energy: 0.2615619110318785
Energy: 0.22496106866732773
Energy: 0.2695314670262937
Energy: 0.22496106866489102
Energy: 0.26953146702507536
Energy: 0.22496106866529714
Energy: 0.26953146702588754
Energy: 0.28200763355997155
Energy: 0.28748603694709324
Energy: 0.2820076335603776
Energy: 0.28748603694709324
Energy: 0.28200763356078373
Energy: 0.28748603694709324
Energy: 0.25976509551930593
Energy: 0.24238787306618378
Energy: 0.2597650955188998
Energy: 0.24238787306618378
Energy: 0.2597650955188998
Energy: 0.24238787306658993
Energy: 0.2413433099285136
Energy: 0.26892521628332994
Energy: 0.24134330992891972
Energy: 0.26892521628373606
Energy: 0.24134330992810746
Energy: 0.26892521628373606
Energy: 0.2910833366060148
Energy: 0.2965571630684753
Energy: 0.2910833366060148
Energy: 0.2965571630684753
Energy: 0.2910833366060148
Energy: 0.2965571630684753
Energy: 0.2714616312269251
Energy: 0.22651949889040243
Energy: 0.2714616312257067
Energy: 0.22651949889080855
Energy: 0.27146163122651895
Energy: 0.22651949889080855
Energy: 0.24796531088323576
Energy: 0.2318849567536906
Energy: 0.24796531088323576
Energy: 0.2318849567536906
Energy: 0.2479653108828296
Energy: 0.2318849567536906
Energy: 0.2819113017847207
Energy: 0.2863234596295343
Energy: 0.2819113017839084
Energy: 0.28632345962994044
Energy: 0.28191130178431456
Energy: 0.2863234596295343
Energy: 0.29374214868755705
Energy: 0.22331219462713425
Energy: 0.29374214868755705
Energy: 0.22331219462754043
Energy: 0.2937421486871509
Energy: 0.22331219462835264
Energy: 0.26712550668260204
Energy: 0.29982715635999696
Energy: 0.26712550668260204
Energy: 0.29982715635999696
Energy: 0.26712550668260204
Energy: 0.2998271563591847
Energy: 0.27210504048449163
Energy: 0.27801750803870895
Energy: 0.2721050404836794
Energy: 0.27801750803870895
Energy: 0.27210504048449163
Energy: 0.27801750803870895
Energy: 0.2858886061534031
Energy: 0.2308290199962148
Energy: 0.285888606152997
Energy: 0.2308290199962148
Energy: 0.285888606152997
Energy: 0.23082901999540256
Energy: 0.2831836178477639
Energy: 0.3169609336063286
Energy: 0.28318361784857615
Energy: 0.31696093360551636
Energy: 0.28318361784817003
Energy: 0.3169609336059224
Energy: 0.2851250690893535
Energy: 0.27016632145040237
Energy: 0.28512506908894736
Energy: 0.27016632145040237
Energy: 0.28512506908894736
Energy: 0.27016632145040237
Energy: 0.2841519356809362
Energy: 0.2698705048631165
Energy: 0.2841519356825607
Energy: 0.26987050486352265
Energy: 0.2841519356813423
Energy: 0.2698705048631165
Energy: 0.27143830273294767
Energy: 0.2941827369246948
Energy: 0.27143830273213543
Energy: 0.2941827369242887
Energy: 0.27143830273254155
Energy: 0.2941827369242887
Energy: 0.27908978461392003
Energy: 0.22979532143967107
Energy: 0.27908978461432615
Energy: 0.22979532144007717
Energy: 0.27908978461392003
Energy: 0.2297953214404833
Energy: 0.2873016356223732
Energy: 0.2827413998127809
Energy: 0.2873016356223732
Energy: 0.2827413998127809
Energy: 0.28730163562277933
Energy: 0.2827413998131871
Energy: 0.2578602489479695
Energy: 0.28859382395085714
Energy: 0.2578602489483756
Energy: 0.2885938239500449
Energy: 0.2578602489479695
Energy: 0.288593823950451
Energy: 0.3060752680897062
Energy: 0.22863132612908868
Energy: 0.3060752680897062
Energy: 0.2286313261286826
Energy: 0.3060752680897062
Energy: 0.22863132612827644
Energy: 0.28240852623266105
Energy: 0.2844039817936494
Energy: 0.28240852623186735
Energy: 0.2844039817940555
Energy: 0.28240852623266105
Energy: 0.2844039817940555
Energy: 0.24624542540076702
Energy: 0.26986668991831164
Energy: 0.24624542540076702
Energy: 0.26986668991871776
Energy: 0.2462454254011731
Energy: 0.26986668991912394
Energy: 0.31100336003307777
Energy: 0.24580780608747216
Energy: 0.3110033600334839
Energy: 0.24580780608747216
Energy: 0.31100336003389006
Energy: 0.24580780608747216
Energy: 0.28219938506487635
Energy: 0.280950871289762
Energy: 0.28219938506528247
Energy: 0.280950871289762
Energy: 0.28219938506487635
Energy: 0.280950871289762
Energy: 0.23844767680981832
Energy: 0.26467772666238276
Energy: 0.23844767680941217
Energy: 0.26467772666238276
Energy: 0.23844767680941217
Energy: 0.26467772666197664
Energy: 0.2262708124569515
Energy: 0.26506335243750817
Energy: 0.226270812455327
Energy: 0.26506335243750817
Energy: 0.22627081245735758
Energy: 0.2650633524379143

minimum gb energy = 0.22331219462713425 eV
minimum distance =  2.72658100928799 Angstroms
sigma value = 67


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

Energy: 0.36953554473857747
Energy: 0.3216779121762626
Energy: 0.36953554473742006
Energy: 0.32167791217684133
Energy: 0.3695355447304759
Energy: 0.32167791217684133
Energy: 0.3232111944011028
Energy: 0.328291563510652
Energy: 0.3232111944016815
Energy: 0.328291563510652
Energy: 0.32321119440226015
Energy: 0.32829156351123057
Energy: 0.3428950076936655
Energy: 0.3508010045414835
Energy: 0.3428950076930868
Energy: 0.3508010045420622
Energy: 0.3428950076936655
Energy: 0.3508010045420622
Energy: 0.2890202589871092
Energy: 0.3189360126884724
Energy: 0.28902025898768785
Energy: 0.3189360126884724
Energy: 0.2890202589871092
Energy: 0.3189360126884724
Energy: 0.2777366865644588
Energy: 0.27941309287344723
Energy: 0.27773668656388006
Energy: 0.2794130928740259
Energy: 0.2777366865633014
Energy: 0.2794130928746046
Energy: 0.3436558685193765
Energy: 0.2778761252197611
Energy: 0.3436558685193765
Energy: 0.2778761252214972
Energy: 0.3436558685193765
Energy: 0.27787612522033983
Energy: 0.3188766774340586
Energy: 0.3060584648018585
Energy: 0.3188766774340586
Energy: 0.30605846480070115
Energy: 0.31887667743463727
Energy: 0.3060584648024372
Energy: 0.31174875407521074
Energy: 0.28065942962463397
Energy: 0.31174875407521074
Energy: 0.2806594296252127
Energy: 0.3117487540757894
Energy: 0.28065942962463397
Energy: 0.35615968313430957
Energy: 0.35941917775736326
Energy: 0.35615968313430957
Energy: 0.359419177757942
Energy: 0.35615968313430957
Energy: 0.35941917775736326
Energy: 0.3415626652507974
Energy: 0.28586707826325936
Energy: 0.34156266525137613
Energy: 0.2858670782644167
Energy: 0.34156266525137613
Energy: 0.28586707826325936
Energy: 0.3158644521061849
Energy: 0.27931587642324196
Energy: 0.31586445210676356
Energy: 0.27931587642324196
Energy: 0.31586445210560626
Energy: 0.27931587642324196
Energy: 0.3207194821568212
Energy: 0.33903428774068634
Energy: 0.32071948215566387
Energy: 0.33903428774010763
Energy: 0.3207194821562425
Energy: 0.339034287739529
Energy: 0.34137671012044757
Energy: 0.2813540898552388
Energy: 0.34137671012044757
Energy: 0.28135408985581756
Energy: 0.34137671012044757
Energy: 0.2813540898552388
Energy: 0.31688677760662
Energy: 0.3503348242013671
Energy: 0.3168867775805793
Energy: 0.3503348242013671
Energy: 0.316886777581158
Energy: 0.3503348242013671
Energy: 0.32279603211231345
Energy: 0.2895350464827015
Energy: 0.32279603211289215
Energy: 0.28953504648038675
Energy: 0.32279603211173474
Energy: 0.28953504648385886
Energy: 0.2883205299659837
Energy: 0.3288690697248488
Energy: 0.2883205299659837
Energy: 0.32886906972427016
Energy: 0.2883205299659837
Energy: 0.32886906972427016
Energy: 0.3252059888692798
Energy: 0.349846198619399
Energy: 0.3252059888692798
Energy: 0.3498461986199776
Energy: 0.3252059888698585
Energy: 0.3498461986199776
Energy: 0.3017530404925426
Energy: 0.2800469547498574
Energy: 0.3017530404925426
Energy: 0.2800469547510148
Energy: 0.3017530404925426
Energy: 0.2800469547504362
Energy: 0.3440701101708209
Energy: 0.34642312304354306
Energy: 0.3440701101713995
Energy: 0.34642312304296435
Energy: 0.34407011017024214
Energy: 0.34642312304296435
Energy: 0.28088247508177344
Energy: 0.351142116415873
Energy: 0.28088247509103237
Energy: 0.351142116415873
Energy: 0.28088247509045366
Energy: 0.351142116415873
Energy: 0.3554837620004185
Energy: 0.31659328442159623
Energy: 0.35548376199983983
Energy: 0.31659328442159623
Energy: 0.35548376199983983
Energy: 0.31659328442159623
Energy: 0.288611079449255
Energy: 0.33346676203619086
Energy: 0.28861107944809766
Energy: 0.33346676203619086
Energy: 0.288611079449255
Energy: 0.3334667620373482
Energy: 0.2980897859232541
Energy: 0.352652385892202
Energy: 0.2980897859232541
Energy: 0.352652385892202
Energy: 0.2980897859232541
Energy: 0.352652385892202

minimum gb energy = 0.2777366865633014 eV
minimum distance =  2.72458917592373 Angstroms
sigma value = 33


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

Energy: 0.40415564327604236
Energy: 0.3408718442357488
Energy: 0.40415564327640946
Energy: 0.34087184423611594
Energy: 0.40415564327640946
Energy: 0.34087184423685013
Energy: 0.35879212984110215
Energy: 0.3628551492445968
Energy: 0.358792129840368
Energy: 0.3628551492431284
Energy: 0.35879212984073505
Energy: 0.3628551492434955
Energy: 0.34913234965398177
Energy: 0.3804210518052783
Energy: 0.349132349654716
Energy: 0.3804210518052783
Energy: 0.34913234965434886
Energy: 0.3804210518052783
Energy: 0.3188949864676305
Energy: 0.34882774949370227
Energy: 0.3188949864661621
Energy: 0.34882774949370227
Energy: 0.31889498646799763
Energy: 0.34882774949370227
Energy: 0.3269023246229471
Energy: 0.36177638586605676
Energy: 0.3269023246222129
Energy: 0.36177638586605676
Energy: 0.3269023246218458
Energy: 0.36177638586605676
Energy: 0.3780032283095006
Energy: 0.3068870502263679
Energy: 0.3780032283113361
Energy: 0.3068870502263679
Energy: 0.3780032283102348
Energy: 0.306887050226735
Energy: 0.3163128202787148
Energy: 0.3330637050418198
Energy: 0.3163128202783477
Energy: 0.33306370504145266
Energy: 0.3163128202809174
Energy: 0.33306370504071847
Energy: 0.3459746806828108
Energy: 0.3109815992130865
Energy: 0.3459746806809752
Energy: 0.3109815992119852
Energy: 0.3459746806813423
Energy: 0.3109815992130865
Energy: 0.3250962209953228
Energy: 0.3509105744605506
Energy: 0.3250962209949557
Energy: 0.3509105744605506
Energy: 0.32509622099458857
Energy: 0.35091057445944923
Energy: 0.40192256835562135
Energy: 0.34157560716815083
Energy: 0.4019225683600266
Energy: 0.34157560716778373
Energy: 0.40192256835562135
Energy: 0.34157560716815083
Energy: 0.3627608380987272
Energy: 0.3808686524486539
Energy: 0.36276083809946136
Energy: 0.3808686524482867
Energy: 0.36276083809946136
Energy: 0.3808686524482867
Energy: 0.31712442410610125
Energy: 0.31953269489924035
Energy: 0.31712442410610125
Energy: 0.31953269489924035
Energy: 0.31712442410610125
Energy: 0.3195326949010759
Energy: 0.39974377143439505
Energy: 0.3576434480936624
Energy: 0.39974377143476214
Energy: 0.3576434480936624
Energy: 0.39974377143439505
Energy: 0.3576434480940295
Energy: 0.32363750714137723
Energy: 0.37916537899719
Energy: 0.32363750714174433
Energy: 0.37916537899719
Energy: 0.32363750714137723
Energy: 0.37916537899719
Energy: 0.36891228897147516
Energy: 0.36111165053418165
Energy: 0.36891228897294354
Energy: 0.3611116505338146
Energy: 0.36891228897257644
Energy: 0.3611116505338146
Energy: 0.3189163458139363
Energy: 0.3833187668876427
Energy: 0.3189163458139363
Energy: 0.3833187668880098
Energy: 0.3189163458135692
Energy: 0.3833187668876427
Energy: 0.31864541683089864
Energy: 0.38042731179509415
Energy: 0.3186454168283289
Energy: 0.38042731179546124
Energy: 0.31864541683016445
Energy: 0.3804273117972968
Energy: 0.3912526283329786
Energy: 0.38500987288042954
Energy: 0.39125262833187735
Energy: 0.3850098728796953
Energy: 0.3912526283329786
Energy: 0.3850098728796953
Energy: 0.3198205860841852
Energy: 0.38340669012475365
Energy: 0.319820586083451
Energy: 0.38340669012475365
Energy: 0.319820586083451
Energy: 0.38340669012438655
Energy: 0.34791001348839135
Energy: 0.37992596215718866
Energy: 0.3479100134876571
Energy: 0.3799259621568215
Energy: 0.34791001348729
Energy: 0.37992596215718866
Energy: 0.3159832179566019
Energy: 0.38066489812593585
Energy: 0.315983217956969
Energy: 0.38066489812630294
Energy: 0.3159832179562348
Energy: 0.38066489812667
Energy: 0.33769157618238144
Energy: 0.30810988911418835
Energy: 0.3376915761831156
Energy: 0.30810988911418835
Energy: 0.33769157618201434
Energy: 0.3081098891149226
Energy: 0.35859110649271553
Energy: 0.3808052811300469
Energy: 0.35859110649344966
Energy: 0.3808052811285785
Energy: 0.3585911064923484
Energy: 0.3808052811296798
Energy: 0.40210407819243876
Energy: 0.3231077491307659
Energy: 0.4021040781935401
Energy: 0.32310774913260143
Energy: 0.40210407819243876
Energy: 0.3231077491315001
Energy: 0.31718386156275136
Energy: 0.36407622929500205
Energy: 0.31718386156311845
Energy: 0.36407622929500205
Energy: 0.31718386156275136
Energy: 0.36407622929500205
Energy: 0.3553895603216193
Energy: 0.38572239078992665
Energy: 0.3553895603219864
Energy: 0.38572239078992665
Energy: 0.3553895603219864
Energy: 0.38572239078992665
Energy: 0.31645764906391094
Energy: 0.30880482510709917
Energy: 0.31645764906574647
Energy: 0.30880482510709917
Energy: 0.31645764906464513
Energy: 0.30880482510709917
Energy: 0.31556346693326726
Energy: 0.40218571957623395
Energy: 0.3155634669317988
Energy: 0.40218571957623395
Energy: 0.315563466932533
Energy: 0.40218571957623395
Energy: 0.3457156834045427
Energy: 0.3617851559079461
Energy: 0.3457156834052768
Energy: 0.3617851559075789
Energy: 0.3457156834038084
Energy: 0.3617851559086802
Energy: 0.3201486245499463
Energy: 0.3359239667633886
Energy: 0.32014862454811077
Energy: 0.33592396676302144
Energy: 0.3201486245473766
Energy: 0.3359239667633886
Energy: 0.3783454208922702
Energy: 0.40069146666485994
Energy: 0.378345420891903
Energy: 0.40069146666485994
Energy: 0.378345420891903
Energy: 0.4006914666652271
Energy: 0.32744485024722825
Energy: 0.37926273806373245
Energy: 0.32744485024686115
Energy: 0.37926273806336536
Energy: 0.32744485024649406
Energy: 0.3792627380629982
Energy: 0.31854537393616755
Energy: 0.3725086954173368
Energy: 0.31854537393580046
Energy: 0.3725086954169696
Energy: 0.31854537393616755
Energy: 0.3725086954169696
Energy: 0.36722370647806074
Energy: 0.3631440879218658
Energy: 0.36722370647622526
Energy: 0.3631440879218658
Energy: 0.36722370647806074
Energy: 0.3631440879214987
Energy: 0.32325753071977104
Energy: 0.38022197519519557
Energy: 0.3232575307194039
Energy: 0.3802219751944614
Energy: 0.32325753071977104
Energy: 0.38022197519482853
Energy: 0.4242692559621951
Energy: 0.3419554427058903
Energy: 0.4242692559625622
Energy: 0.3419554427062574
Energy: 0.4242692559625622
Energy: 0.3419554427058903
Energy: 0.31682741728593855
Energy: 0.36113224486951423
Energy: 0.31682741728557146
Energy: 0.36113224486951423
Energy: 0.31682741728557146
Energy: 0.36113224486878

minimum gb energy = 0.3068870502263679 eV
minimum distance =  2.70443229685115 Angstroms
sigma value = 41


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

Energy: 0.4482863681599587
Energy: 0.40616676574396715
Energy: 0.44828636815895634
Energy: 0.40616676574396715
Energy: 0.44828636815895634
Energy: 0.40616676574496946
Energy: 0.40672174021269175
Energy: 0.42758496217936065
Energy: 0.40672174021269175
Energy: 0.42758496217936065
Energy: 0.40672174021269175
Energy: 0.42758496217936065
Energy: 0.4390108944857185
Energy: 0.4291027636914348
Energy: 0.43901089448672087
Energy: 0.4291027636914348
Energy: 0.4390108944857185
Energy: 0.4291027636914348
Energy: 0.4431248204383462
Energy: 0.41992926155927673
Energy: 0.4431248204383462
Energy: 0.41992926155927673
Energy: 0.4431248204383462
Energy: 0.41992926155927673
Energy: 0.39117664593760804
Energy: 0.40854643790879014
Energy: 0.39117664593660567
Energy: 0.40854643790879014
Energy: 0.39117664593660567
Energy: 0.40854643790879014
Energy: 0.45592490594821766
Energy: 0.4452802403709179
Energy: 0.4559249059472153
Energy: 0.44528024036991554
Energy: 0.45592490594821766
Energy: 0.44528024037192016
Energy: 0.4415018162762785
Energy: 0.3922646651698812
Energy: 0.4415018162762785
Energy: 0.39226466517088343
Energy: 0.4415018162762785
Energy: 0.3922646651688788
Energy: 0.4326554951686383
Energy: 0.4249952056655443
Energy: 0.4326554951686383
Energy: 0.4249952056655443
Energy: 0.4326554951686383
Energy: 0.4249952056655443
Energy: 0.4067308734673736
Energy: 0.4036623558742045
Energy: 0.4067308734683759
Energy: 0.40366235587520677
Energy: 0.4067308734683759
Energy: 0.40366235587520677
Energy: 0.4438867076272834
Energy: 0.4138539208548171
Energy: 0.4438867076272834
Energy: 0.4138539208548171
Energy: 0.4438867076262811
Energy: 0.4138539208548171
Energy: 0.407058493712517
Energy: 0.42890395157025096
Energy: 0.40705849371151476
Energy: 0.4289039515692487
Energy: 0.4070584937135194
Energy: 0.4289039515692487
Energy: 0.4281575211711698
Energy: 0.4274209353213047
Energy: 0.4281575211701675
Energy: 0.4274209353213047
Energy: 0.4281575211711698
Energy: 0.4274209353213047
Energy: 0.4471888121321069
Energy: 0.4167835116776114
Energy: 0.4471888121321069
Energy: 0.4167835116776114
Energy: 0.4471888121321069
Energy: 0.4167835116776114
Energy: 0.3941505058151677
Energy: 0.4270844386213688
Energy: 0.3941505058151677
Energy: 0.4270844386213688
Energy: 0.3941505058151677
Energy: 0.4270844386213688

minimum gb energy = 0.39117664593660567 eV
minimum distance =  2.69918288855038 Angstroms
sigma value = 11


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

Energy: 0.5181163873940755
Energy: 0.4958828512673041
Energy: 0.5181163873945158
Energy: 0.4958828512677443
Energy: 0.5181163873945158
Energy: 0.4958828512673041
Energy: 0.4331758785865394
Energy: 0.4784879374762756
Energy: 0.4331758785865394
Energy: 0.4784879374762756
Energy: 0.43317587858697976
Energy: 0.4784879374762756
Energy: 0.44689092603329233
Energy: 0.4725135770960538
Energy: 0.44689092603813574
Energy: 0.4725135770960538
Energy: 0.44689092603461333
Energy: 0.4725135770960538
Energy: 0.4779605012893839
Energy: 0.4235989389148627
Energy: 0.47796050128982426
Energy: 0.4235989389148627
Energy: 0.47796050129026457
Energy: 0.4235989389148627
Energy: 0.47276054348816493
Energy: 0.46908215351146204
Energy: 0.47276054348816493
Energy: 0.46908215351102184
Energy: 0.47276054348728436
Energy: 0.46908215351146204
Energy: 0.4559963123589035
Energy: 0.48234629777854293
Energy: 0.45599631235846316
Energy: 0.48234629777854293
Energy: 0.45599631235846316
Energy: 0.48234629777854293
Energy: 0.46117694371272433
Energy: 0.4594801753040365
Energy: 0.46117694371316464
Energy: 0.4594801753044767
Energy: 0.46117694371272433
Energy: 0.4594801753040365
Energy: 0.4631619444514975
Energy: 0.472498730678784
Energy: 0.4631619444514975
Energy: 0.472498730678784
Energy: 0.4631619444519378
Energy: 0.472498730678784
Energy: 0.46952866204503274
Energy: 0.46772665288564397
Energy: 0.46952866204503274
Energy: 0.46772665288564397
Energy: 0.46952866204503274
Energy: 0.46772665288564397
Energy: 0.4691393231416434
Energy: 0.46295571405258
Energy: 0.4691393231416434
Energy: 0.46295571405258
Energy: 0.4691393231416434
Energy: 0.46295571405258
Energy: 0.4297407583317308
Energy: 0.4775624162716978
Energy: 0.42974075833129044
Energy: 0.4775624162716978
Energy: 0.4297407583317308
Energy: 0.47756241627213813
Energy: 0.4686963414680913
Energy: 0.4892736854432536
Energy: 0.46869634146765093
Energy: 0.489273685443694
Energy: 0.46869634146765093
Energy: 0.489273685443694
Energy: 0.4782816988061459
Energy: 0.45102540483376585
Energy: 0.4782816988070265
Energy: 0.45102540483376585
Energy: 0.4782816988065861
Energy: 0.45102540483420617
Energy: 0.4669445590878039
Energy: 0.4757112437453725
Energy: 0.4669445590878039
Energy: 0.4757112437444919
Energy: 0.46694455908736354
Energy: 0.4757112437449322
Energy: 0.4327110278323395
Energy: 0.468210084344956
Energy: 0.43271102783145887
Energy: 0.46821008434539624
Energy: 0.4327110278318992
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Energy: 0.48630833741270624
Energy: 0.450011405379347
Energy: 0.48630833741270624
Energy: 0.450011405379347
Energy: 0.48630833741270624
Energy: 0.450011405379347
Energy: 0.43022071165470094
Energy: 0.47411650939989064
Energy: 0.43022071165426057
Energy: 0.4741165093994503
Energy: 0.43022071165426057
Energy: 0.4741165093994503
Energy: 0.48058843627035375
Energy: 0.4909382031032773
Energy: 0.48058843626947306
Energy: 0.4909382031032773
Energy: 0.48058843627035375
Energy: 0.490938203102837
Energy: 0.4663845616956353
Energy: 0.41730225965555157
Energy: 0.4663845616956353
Energy: 0.41730225965555157
Energy: 0.4663845616956353
Energy: 0.4173022596559918
Energy: 0.453447212518479
Energy: 0.4801404455701814
Energy: 0.453447212518479
Energy: 0.4801404455701814
Energy: 0.45344721251891934
Energy: 0.4801404455701814
Energy: 0.43358503598228304
Energy: 0.45060260005078573
Energy: 0.43358503598140247
Energy: 0.4506026000512261
Energy: 0.4335850359809622
Energy: 0.45060260005078573
Energy: 0.4882889209183312
Energy: 0.485624193343481
Energy: 0.48828892091877146
Energy: 0.485624193343481
Energy: 0.4882889209183312
Energy: 0.485624193343481
Energy: 0.4490200478822151
Energy: 0.47265116024680526
Energy: 0.4490200478826553
Energy: 0.47265116024680526
Energy: 0.45260650363836447
Energy: 0.47265116024680526
Energy: 0.4861629635280865
Energy: 0.473996491051787
Energy: 0.48616296352896715
Energy: 0.473996491051787
Energy: 0.48616296352852684
Energy: 0.47399649105222724
Energy: 0.46900886750748527
Energy: 0.4524584665667289
Energy: 0.4690088675070449
Energy: 0.4524584665667289
Energy: 0.4690088675070449
Energy: 0.4524584665667289
Energy: 0.4408914170120628
Energy: 0.46414366840806076
Energy: 0.4408914170120628
Energy: 0.46414366840806076
Energy: 0.4408914170120628
Energy: 0.4641436684085011
Energy: 0.46376195481127186
Energy: 0.4809006296603463
Energy: 0.4637619548117122
Energy: 0.4809006296607866
Energy: 0.4637619548117122
Energy: 0.48090062965858504
Energy: 0.4787576802642307
Energy: 0.45068302255865306
Energy: 0.47875768026379034
Energy: 0.45068302255865306
Energy: 0.4787576802642307
Energy: 0.45068302255865306
Energy: 0.46174291075401785
Energy: 0.46680146524377153
Energy: 0.4617429107544581
Energy: 0.46680146524377153
Energy: 0.4617429107544581
Energy: 0.4668014652433312
Energy: 0.45729267156869297
Energy: 0.42291977826770316
Energy: 0.4572926715682526
Energy: 0.4229197782681435
Energy: 0.45729267156869297
Energy: 0.4229197782681435
Energy: 0.4694526201656826
Energy: 0.4910368465270582
Energy: 0.4694526201661229
Energy: 0.4910368465270582
Energy: 0.4694526201661229
Energy: 0.4910368465270582

minimum gb energy = 0.41730225965555157 eV
minimum distance =  2.64082680257154 Angstroms
sigma value = 57


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

Energy: 0.4424917314182461
Energy: 0.4066322657735877
Energy: 0.4424917314182461
Energy: 0.4066322657735877
Energy: 0.4424917314182461
Energy: 0.4066322657735877
Energy: 0.4718394724639317
Energy: 0.45172385352009065
Energy: 0.4718394724647152
Energy: 0.45172385352009065
Energy: 0.4718394724639317
Energy: 0.45172385352009065
Energy: 0.4931426386931295
Energy: 0.45290086939787616
Energy: 0.4931426386931295
Energy: 0.45290086939787616
Energy: 0.4931426386923459
Energy: 0.45290086939787616
Energy: 0.43955538735752875
Energy: 0.4590957196820981
Energy: 0.43955538735752875
Energy: 0.4590957196820981
Energy: 0.43955538735752875
Energy: 0.4590957196820981
Energy: 0.4932186283412884
Energy: 0.45293530031652596
Energy: 0.4932186283412884
Energy: 0.45293530031652596
Energy: 0.49321862834050484
Energy: 0.45293530031652596
Energy: 0.471854695555106
Energy: 0.4517046949623185
Energy: 0.4718546955543224
Energy: 0.45170469496310217
Energy: 0.4718546955543224
Energy: 0.4517046949623185
Energy: 0.44249173141981324
Energy: 0.40663226577280404
Energy: 0.4424917314205967
Energy: 0.40663226577280404
Energy: 0.44249173141981324
Energy: 0.40663226577280404
Energy: 0.4718394724647152
Energy: 0.45172385352009065
Energy: 0.4718394724647152
Energy: 0.45172385352009065
Energy: 0.4718394724647152
Energy: 0.45172385351930716
Energy: 0.4931426386923459
Energy: 0.45290086939709256
Energy: 0.4931426386923459
Energy: 0.45290086939709256
Energy: 0.4931426386923459
Energy: 0.45290086939709256
Energy: 0.43955538735752875
Energy: 0.48619856552994833
Energy: 0.43955538735752875
Energy: 0.48619856552994833
Energy: 0.43955538735752875
Energy: 0.48619856552994833
Energy: 0.49321862833972135
Energy: 0.45293530031652596
Energy: 0.49321862833972135
Energy: 0.45293530031652596
Energy: 0.49321862833972135
Energy: 0.45293530031652596
Energy: 0.471854695555106
Energy: 0.4517046949623185
Energy: 0.471854695555106
Energy: 0.4517046949623185
Energy: 0.4718546955558895
Energy: 0.4517046949623185
Energy: 0.4424917314182461
Energy: 0.40663226577280404
Energy: 0.4424917314174626
Energy: 0.40663226577280404
Energy: 0.4424917314182461
Energy: 0.40663226577280404
Energy: 0.4718394724639317
Energy: 0.45172385351930716
Energy: 0.4718394724647152
Energy: 0.45172385351930716
Energy: 0.4718394724639317
Energy: 0.45172385352009065
Energy: 0.4931426386923459
Energy: 0.45290086939787616
Energy: 0.4931426386923459
Energy: 0.45290086939787616
Energy: 0.4931426386923459
Energy: 0.45290086939787616
Energy: 0.43955538735752875
Energy: 0.4590957196820981
Energy: 0.43955538735752875
Energy: 0.5205828989513251
Energy: 0.43955538735752875
Energy: 0.4590957196820981
Energy: 0.4932186283412884
Energy: 0.4529353003157425
Energy: 0.4932186283412884
Energy: 0.45293530031652596
Energy: 0.4932186283412884
Energy: 0.4529353003157425

minimum gb energy = 0.40663226577280404 eV
minimum distance =  2.67874675010246 Angstroms
sigma value = 9


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

Energy: 0.49610144413533724
Energy: 0.445404321577995
Energy: 0.4961014441346974
Energy: 0.44540432157735516
Energy: 0.4961014441346974
Energy: 0.445404321577995
Energy: 0.4633529547287771
Energy: 0.4639851472472457
Energy: 0.4633529547294168
Energy: 0.4639851472478854
Energy: 0.4633529547294168
Energy: 0.4639851472478854
Energy: 0.4589431490204789
Energy: 0.4690172969923096
Energy: 0.4589431490204789
Energy: 0.4690172969929493
Energy: 0.4589431490204789
Energy: 0.4690172969929493
Energy: 0.4620306982408252
Energy: 0.48359651080201593
Energy: 0.4620306982408252
Energy: 0.48359651080265575
Energy: 0.4620306982408252
Energy: 0.48359651080137617
Energy: 0.4671631955421393
Energy: 0.44576559524278075
Energy: 0.467163195542779
Energy: 0.44576559524278075
Energy: 0.467163195542779
Energy: 0.44576559524278075
Energy: 0.4600863879678953
Energy: 0.4779452651077139
Energy: 0.4600863879678953
Energy: 0.4779452651077139
Energy: 0.4600863879672555
Energy: 0.4779452651077139
Energy: 0.46882320458199284
Energy: 0.46901108834455263
Energy: 0.4688232045813531
Energy: 0.46901108834455263
Energy: 0.4688232045813531
Energy: 0.46901108834455263
Energy: 0.4620908966049861
Energy: 0.4824877861135584
Energy: 0.4620908966049861
Energy: 0.4824877861141691
Energy: 0.4620908966049861
Energy: 0.4824877861141691
Energy: 0.50384226958469
Energy: 0.45608173581956973
Energy: 0.5038422695859696
Energy: 0.45608173581956973
Energy: 0.5038422695859696
Energy: 0.45608173581892997
Energy: 0.4698495467361525
Energy: 0.45947345037389264
Energy: 0.46984954673679213
Energy: 0.45947345037389264
Energy: 0.46984954673679213
Energy: 0.45947345037389264
Energy: 0.44798119261602226
Energy: 0.46507074442005264
Energy: 0.4479811926166621
Energy: 0.46507074442005264
Energy: 0.4479811926166621
Energy: 0.46507074442005264
Energy: 0.4879991250537933
Energy: 0.478187847796801
Energy: 0.4879991250537933
Energy: 0.478187847796801
Energy: 0.4879991250544331
Energy: 0.478187847796801
Energy: 0.45712909368073495
Energy: 0.4723521887121276
Energy: 0.45712909368073495
Energy: 0.4723521887121276
Energy: 0.45712909368073495
Energy: 0.47235218871148776
Energy: 0.4686888865152257
Energy: 0.45782411397875883
Energy: 0.46868888651586543
Energy: 0.45782411397875883
Energy: 0.46868888651650525
Energy: 0.45782411397875883
Energy: 0.48744278690393233
Energy: 0.469782286444804
Energy: 0.48744278690457205
Energy: 0.469782286444804
Energy: 0.48744278690393233
Energy: 0.469782286444804
Energy: 0.5012126987571706
Energy: 0.4617350489672825
Energy: 0.5012126987571706
Energy: 0.4617350489666427
Energy: 0.5012126987571706
Energy: 0.4617350489672825
Energy: 0.45632736183409944
Energy: 0.46164624650911495
Energy: 0.4563273618353789
Energy: 0.46164624650911495
Energy: 0.4563273618353789
Energy: 0.46164624650911495
Energy: 0.5018020734614183
Energy: 0.47071548955138576
Energy: 0.5018020734607785
Energy: 0.47071548955138576
Energy: 0.5018020734607785
Energy: 0.47071548955074594
Energy: 0.46172719778058186
Energy: 0.4609064949886028
Energy: 0.46172719778058186
Energy: 0.46090649498924263
Energy: 0.46172719778058186
Energy: 0.4609064949886028
Energy: 0.4676871019061268
Energy: 0.44607499560570396
Energy: 0.4676871019074063
Energy: 0.44607499560506425
Energy: 0.46768710190676654
Energy: 0.44607499560570396
Energy: 0.4860145386664185
Energy: 0.48373522293058346
Energy: 0.48601453866705824
Energy: 0.48373522293058346
Energy: 0.48601453866705824
Energy: 0.48373522293058346

minimum gb energy = 0.44540432157735516 eV
minimum distance =  2.64200907591674 Angstroms
sigma value = 27


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

Energy: 0.5242284465193062
Energy: 0.48032276331377827
Energy: 0.5115252366210565
Energy: 0.4803227633143175
Energy: 0.5242284465198453
Energy: 0.480322763311082
Energy: 0.4852000832714412
Energy: 0.46658652111391946
Energy: 0.4852000832692841
Energy: 0.46658652111391946
Energy: 0.4852000832714412
Energy: 0.46658652111607657
Energy: 0.45578699967399544
Energy: 0.47720894153771987
Energy: 0.45578699967507397
Energy: 0.47720894153771987
Energy: 0.45578699967453473
Energy: 0.47720894153664134
Energy: 0.4613133487549119
Energy: 0.48296039431722104
Energy: 0.4613133487549119
Energy: 0.48296039431829957
Energy: 0.4613133487549119
Energy: 0.48296039431829957
Energy: 0.46113997793911726
Energy: 0.4681220716561362
Energy: 0.46113997793803874
Energy: 0.4681220716561362
Energy: 0.46113997793911726
Energy: 0.46812207165721464
Energy: 0.4677314892553958
Energy: 0.5062403054066988
Energy: 0.4677314892564743
Energy: 0.5062403054066988
Energy: 0.4677314892553958
Energy: 0.506240305407238
Energy: 0.47418937359052354
Energy: 0.48325480527609577
Energy: 0.47418937359106283
Energy: 0.4832548052755566
Energy: 0.47418937359106283
Energy: 0.48325480527286024
Energy: 0.499223713892139
Energy: 0.45265163456434926
Energy: 0.4992237138932175
Energy: 0.45265163456380997
Energy: 0.499223713892139
Energy: 0.45265163456113816
Energy: 0.5039194181148207
Energy: 0.46328138811427977
Energy: 0.5037685344813287
Energy: 0.463281388114819
Energy: 0.50391941811536
Energy: 0.46328138811643677
Energy: 0.49768456340713113
Energy: 0.4698613526353622
Energy: 0.4976899706221733
Energy: 0.4698613526359015
Energy: 0.49768456340713113
Energy: 0.46986135263320516
Energy: 0.5074471967424918
Energy: 0.4728618313265141
Energy: 0.5051024974937963
Energy: 0.4728618313270534
Energy: 0.5074471967424918
Energy: 0.47286183132597487
Energy: 0.48443409309246643
Energy: 0.47532903647562275
Energy: 0.48443409309192725
Energy: 0.47532903647562275
Energy: 0.48443409309246643
Energy: 0.4753290364767013
Energy: 0.4780716825566275
Energy: 0.4819051140746049
Energy: 0.4780716825566275
Energy: 0.4819051140746049
Energy: 0.4780716825566275
Energy: 0.48190511407298714
Energy: 0.47581648935616144
Energy: 0.4489734399038889
Energy: 0.47581648935616144
Energy: 0.4489734399011926
Energy: 0.47581648935616144
Energy: 0.4489734399011926
Energy: 0.4702883263578151
Energy: 0.5002842398283446
Energy: 0.4703795879002826
Energy: 0.5002842398283446
Energy: 0.47028832635457946
Energy: 0.5002842398294232
Energy: 0.46288166194215963
Energy: 0.4667224623272587
Energy: 0.46288166194323815
Energy: 0.466722462327798
Energy: 0.46288166194215963
Energy: 0.4667224623267195
Energy: 0.46910981890984016
Energy: 0.45272894943183484
Energy: 0.46910981890984016
Energy: 0.45272894943183484
Energy: 0.4691098189093009
Energy: 0.4527289494329134
Energy: 0.48471772639636845
Energy: 0.463745293077315
Energy: 0.48471772639690774
Energy: 0.4637452930778543
Energy: 0.48471772639636845
Energy: 0.46374529308001133
Energy: 0.4684037690907293
Energy: 0.4637513026392438
Energy: 0.4257615054358923
Energy: 0.4637513026392438
Energy: 0.4684037690907293
Energy: 0.4637513026419401
Energy: 0.5242284465182276
Energy: 0.4803227633143175
Energy: 0.5115252366210565
Energy: 0.48032276331269974
Energy: 0.5242284465187669
Energy: 0.4803227633116212
Energy: 0.4852000832730591
Energy: 0.46658652111284094
Energy: 0.4852000832714412
Energy: 0.46658652111230164
Energy: 0.48520008327251973
Energy: 0.46658652111445875
Energy: 0.4557869996766918
Energy: 0.47720894153664134
Energy: 0.455786999677231
Energy: 0.4772089415371806
Energy: 0.4557869996766918
Energy: 0.4772089415361021
Energy: 0.46131334875545127
Energy: 0.4829603943156032
Energy: 0.4613133487565053
Energy: 0.4829603943166818
Energy: 0.46131334875545127
Energy: 0.4829603943166818
Energy: 0.46113997793803874
Energy: 0.4681220716566754
Energy: 0.46113997793696015
Energy: 0.4681220716566754
Energy: 0.4611399779374994
Energy: 0.4681220716582932
Energy: 0.4677314892575528
Energy: 0.5062403054061595
Energy: 0.4677314892586314
Energy: 0.5062403054061595
Energy: 0.4677314892575528
Energy: 0.5062403054066988

minimum gb energy = 0.4257615054358923 eV
minimum distance =  2.61520891565875 Angstroms
sigma value = 19


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

Energy: 0.4720334568988099
Energy: 0.4908847244959853
Energy: 0.4720334568988099
Energy: 0.49088472449645076
Energy: 0.4720334568988099
Energy: 0.49088472449645076
Energy: 0.4620304203048759
Energy: 0.45589210177557604
Energy: 0.4620304203048759
Energy: 0.45589210177557604
Energy: 0.4620304203053414
Energy: 0.45589210177557604
Energy: 0.46788638242974423
Energy: 0.4443445670292635
Energy: 0.4678863824292787
Energy: 0.4443445670292635
Energy: 0.4678863824292787
Energy: 0.4443445670292635
Energy: 0.45121550623461626
Energy: 0.45981603357593026
Energy: 0.45121550623461626
Energy: 0.45981603357546474
Energy: 0.45121550623461626
Energy: 0.45981603357546474
Energy: 0.45735613468680386
Energy: 0.4664321503255571
Energy: 0.45735613468633846
Energy: 0.4664321503250916
Energy: 0.45735613468680386
Energy: 0.4664321503250916
Energy: 0.455766791765276
Energy: 0.4564773742744735
Energy: 0.455766791765276
Energy: 0.4564773742744735
Energy: 0.45576679176481044
Energy: 0.4564773742744735
Energy: 0.4398089477268275
Energy: 0.4686678537968785
Energy: 0.439808947727293
Energy: 0.4686678537968785
Energy: 0.43980894772636203
Energy: 0.4686678537968785
Energy: 0.45546345306250763
Energy: 0.47244404432373976
Energy: 0.4554634530620421
Energy: 0.47244404432373976
Energy: 0.4554634530620421
Energy: 0.47244404432327425
Energy: 0.4859031769430475
Energy: 0.443355444712994
Energy: 0.485903176942582
Energy: 0.443355444712994
Energy: 0.485903176942582
Energy: 0.443355444712994
Energy: 0.46554149526931216
Energy: 0.45943014511029084
Energy: 0.46554149526931216
Energy: 0.4594301451093599
Energy: 0.46554149526931216
Energy: 0.459430145103774
Energy: 0.44526915737114625
Energy: 0.4883460688894033
Energy: 0.44526915737114625
Energy: 0.4883460688894033
Energy: 0.44526915737114625
Energy: 0.4883460688894033
Energy: 0.4665199093058478
Energy: 0.4434737627903498
Energy: 0.4665199093053824
Energy: 0.4434737627908153
Energy: 0.4665199093053824
Energy: 0.4434737627908153
Energy: 0.4526471572576041
Energy: 0.4668060124642789
Energy: 0.45264715725806964
Energy: 0.4668060124642789
Energy: 0.45264715725806964
Energy: 0.4668060124642789
Energy: 0.45409278990461227
Energy: 0.4521338460944758
Energy: 0.45409278990461227
Energy: 0.4521338460949413
Energy: 0.45409278990414675
Energy: 0.4521338460944758
Energy: 0.4718174154672238
Energy: 0.4526518961704745
Energy: 0.4718174154672238
Energy: 0.4526518961704745
Energy: 0.4718174154672238
Energy: 0.4526518961704745
Energy: 0.45876576847884204
Energy: 0.44075800568418366
Energy: 0.4587657684783766
Energy: 0.44075800568418366
Energy: 0.4587657684783766
Energy: 0.44075800568418366
Energy: 0.4494042598843869
Energy: 0.4581800090712229
Energy: 0.4494042598843869
Energy: 0.4581800090707574
Energy: 0.4494042598843869
Energy: 0.4581800090707574
Energy: 0.46620721771055185
Energy: 0.46413437643230754
Energy: 0.4662072177100864
Energy: 0.46413437643230754
Energy: 0.4662072177100864
Energy: 0.4641343764318421
Energy: 0.4504838456818941
Energy: 0.4580149641681079
Energy: 0.4504838456823596
Energy: 0.4580149641695044
Energy: 0.4686436952342811
Energy: 0.4580149641681079
Energy: 0.4527535942659288
Energy: 0.462589049135398
Energy: 0.4527535942659288
Energy: 0.46258904913586346
Energy: 0.4527535942659288
Energy: 0.462589049135398
Energy: 0.442941823421057
Energy: 0.4719065682772165
Energy: 0.442941823421057
Energy: 0.47190656827768196
Energy: 0.442941823421057
Energy: 0.47190656827768196
Energy: 0.48528958076175743
Energy: 0.4481191428601115
Energy: 0.4852895807612919
Energy: 0.448119142860577
Energy: 0.4852895807622229
Energy: 0.4481191428601115
Energy: 0.48967945245395844
Energy: 0.4608289350036111
Energy: 0.48967945245442396
Energy: 0.46082893500314565
Energy: 0.48967945245442396
Energy: 0.4608289350036111
Energy: 0.4759671481921792
Energy: 0.46475854509022463
Energy: 0.4759671481921792
Energy: 0.46475854509022463
Energy: 0.4759671481921792
Energy: 0.46475854509022463
Energy: 0.4582117658167764
Energy: 0.4470352044323824
Energy: 0.45821176581724193
Energy: 0.4470352044323824
Energy: 0.45821176581724193
Energy: 0.4470352044323824
Energy: 0.46213819162830294
Energy: 0.4533848975065726
Energy: 0.46213819162830294
Energy: 0.4533848975065726
Energy: 0.46213819162830294
Energy: 0.4533848975065726
Energy: 0.4401073629243564
Energy: 0.45858273792741266
Energy: 0.4401073629243564
Energy: 0.45858273792694715
Energy: 0.44010736292389097
Energy: 0.45858273792694715
Energy: 0.46714845767388785
Energy: 0.4583107153113786
Energy: 0.46714845767388785
Energy: 0.4583107153113786
Energy: 0.46714845767388785
Energy: 0.4583107153113786
Energy: 0.4645479689197204
Energy: 0.458454883129962
Energy: 0.4645479689197204
Energy: 0.458454883129962
Energy: 0.4645479689197204
Energy: 0.458454883129962

minimum gb energy = 0.43980894772636203 eV
minimum distance =  2.65720356281548 Angstroms
sigma value = 101


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

Energy: 0.44039184133838355
Energy: 0.4672495209571183
Energy: 0.44039184133838355
Energy: 0.4672495209571183
Energy: 0.4403918413379744
Energy: 0.4672495209571183
Energy: 0.451795126727557
Energy: 0.44409889701871497
Energy: 0.451795126727557
Energy: 0.4440988970183058
Energy: 0.451795126727557
Energy: 0.4440988970183058
Energy: 0.45380237528102646
Energy: 0.42050200054921383
Energy: 0.45380237528102646
Energy: 0.42050200054921383
Energy: 0.45380237528102646
Energy: 0.42050200054921383
Energy: 0.4100587773069479
Energy: 0.45054429244512306
Energy: 0.41005877730735707
Energy: 0.4505442924434863
Energy: 0.41005877730653867
Energy: 0.4505442924447139
Energy: 0.43475218127756704
Energy: 0.44217783654990006
Energy: 0.43475218127756704
Energy: 0.44217783655030923
Energy: 0.43475218127756704
Energy: 0.44217783654990006
Energy: 0.45646786802373207
Energy: 0.41984350852892716
Energy: 0.4564678680241413
Energy: 0.41984350852892716
Energy: 0.4564678680245504
Energy: 0.41984350852892716
Energy: 0.43280235675826007
Energy: 0.4423631364509558
Energy: 0.43280235675907835
Energy: 0.44236313645218345
Energy: 0.43280235675907835
Energy: 0.44236313645218345
Energy: 0.41236845353919616
Energy: 0.44351354251081265
Energy: 0.412368453538787
Energy: 0.44351354251326774
Energy: 0.41236845353919616
Energy: 0.4435135425136769
Energy: 0.45600103027047184
Energy: 0.4220038889796941
Energy: 0.45600103027047184
Energy: 0.4220038889796941
Energy: 0.45600103027047184
Energy: 0.4220038889801033
Energy: 0.43523659138793536
Energy: 0.4528031106447778
Energy: 0.43523659138793536
Energy: 0.4528031106447778
Energy: 0.43523659138793536
Energy: 0.4528031106447778
Energy: 0.4114028083521305
Energy: 0.5080624407527321
Energy: 0.41140280835253973
Energy: 0.5080624407527321
Energy: 0.4114028083517213
Energy: 0.5080624407531412
Energy: 0.4586729430608511
Energy: 0.4452047829335156
Energy: 0.4586729430600514
Energy: 0.44771343891560517
Energy: 0.4586729430600514
Energy: 0.44081578424883705
Energy: 0.4480150308807625
Energy: 0.42051582792961734
Energy: 0.44801503088117167
Energy: 0.4205158279292082
Energy: 0.4480150308807625
Energy: 0.42051582792961734
Energy: 0.4422343534602151
Energy: 0.4519840016621485
Energy: 0.4422343534602151
Energy: 0.45198400166296687
Energy: 0.4422343534602151
Energy: 0.4519840016621485
Energy: 0.46196896654271696
Energy: 0.44413725239765167
Energy: 0.46196896654271696
Energy: 0.44413725239765167
Energy: 0.46196896654271696
Energy: 0.44413725239765167
Energy: 0.453314196488267
Energy: 0.4194644939272085
Energy: 0.453314196488267
Energy: 0.4194644939272085
Energy: 0.4533141964890854
Energy: 0.4194644939272085
Energy: 0.410799838965431
Energy: 0.4561346093519033
Energy: 0.410799838965431
Energy: 0.4561346093519033
Energy: 0.41079983896584016
Energy: 0.4561346093519033
Energy: 0.4114672584920097
Energy: 0.44000762362127444
Energy: 0.41146725849160054
Energy: 0.44000762362127444
Energy: 0.41146725849160054
Energy: 0.44000762362127444
Energy: 0.45590186272402317
Energy: 0.42218985201239523
Energy: 0.455901862723614
Energy: 0.42218985201280446
Energy: 0.45590186272402317
Energy: 0.42218985201280446
Energy: 0.4338638920899762
Energy: 0.4243099753591069
Energy: 0.43386389208956705
Energy: 0.42430997535992526
Energy: 0.43386389208874865
Energy: 0.42430997535992526
Energy: 0.4109653368161618
Energy: 0.5097517695141538
Energy: 0.4109653368161618
Energy: 0.5097517695141538
Energy: 0.410965336816571
Energy: 0.509751769514563
Energy: 0.4545440846556472
Energy: 0.4190601503038073
Energy: 0.4545440846560564
Energy: 0.41906015030421645
Energy: 0.454544084655238
Energy: 0.41906015030421645
Energy: 0.4640395063609276
Energy: 0.4201115881643696
Energy: 0.46403950636051833
Energy: 0.4201115881643696
Energy: 0.46403950636051833
Energy: 0.4201115881643696
Energy: 0.40996400021126195
Energy: 0.4604275015920191
Energy: 0.40996400021126195
Energy: 0.4604275015920191
Energy: 0.40996400021126195
Energy: 0.46042750159160994
Energy: 0.46004590622000835
Energy: 0.42833789601618055
Energy: 0.46004590622000835
Energy: 0.42833789601618055
Energy: 0.46004590622000835
Energy: 0.42833789601618055
Energy: 0.44783369517776905
Energy: 0.41941703077940506
Energy: 0.4478336951781782
Energy: 0.41941703077940506
Energy: 0.44783369517776905
Energy: 0.41941703077940506
Energy: 0.4410748869930929
Energy: 0.45291877097666927
Energy: 0.4410748869930929
Energy: 0.45291877097666927
Energy: 0.44107488699350206
Energy: 0.45291877097666927
Energy: 0.4501790204936268
Energy: 0.45589050999775765
Energy: 0.4501790204944452
Energy: 0.45589050999775765
Energy: 0.4501790204936268
Energy: 0.45589050999775765
Energy: 0.4594019153408025
Energy: 0.4260965046090081
Energy: 0.4594019153408025
Energy: 0.4260965046090081
Energy: 0.4594019153408025
Energy: 0.4260965046090081
Energy: 0.41145256498434296
Energy: 0.44678684987921724
Energy: 0.41145256498393373
Energy: 0.44678684987880807
Energy: 0.41145256498434296
Energy: 0.44678684987880807
Energy: 0.4108474811359648
Energy: 0.44470948824258894
Energy: 0.41084748113555564
Energy: 0.4447094882429981
Energy: 0.4108474811359648
Energy: 0.4447094882429981
Energy: 0.46441575215512315
Energy: 0.4193182067827677
Energy: 0.46441575215512315
Energy: 0.4193182067827677
Energy: 0.4644157521555324
Energy: 0.4193182067827677
Energy: 0.4643320093106706
Energy: 0.4178510780302151
Energy: 0.4643320093102614
Energy: 0.4178510780293967
Energy: 0.4643320093106706
Energy: 0.4178510780302151

minimum gb energy = 0.40996400021126195 eV
minimum distance =  2.67164968786043 Angstroms
sigma value = 33


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

Energy: 0.01244864228561239
Energy: 0.37641262299933
Energy: 0.01244864228561239
Energy: 0.37641262299933
Energy: 0.01244864228561239
Energy: 0.37641262299899003
Energy: 0.0140417612874857
Energy: 0.1508456446815512
Energy: 0.01404176128782568
Energy: 0.1508456446815512
Energy: 0.01404176128782568
Energy: 0.1508456446815512
Energy: 0.5607481010169046
Energy: 0.1506862014616059
Energy: 0.5607481010169046
Energy: 0.1506862014616059
Energy: 0.5607481010165647
Energy: 0.15068620146126593
Energy: 0.0140417612874857
Energy: 0.15084564468089015
Energy: 0.014041761287164606
Energy: 0.15084564468121123
Energy: 0.014041761287164606
Energy: 0.15084564468089015

minimum gb energy = 0.01244864228561239 eV
minimum distance =  2.9022830217776 Angstroms
sigma value = 1