Model name: model_name=EAM_Dynamo_MishinFarkasMehl_1999_Al__MO_651801486679_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050004702806472
cohesive_energy=3.360264241210405
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 1.04222210722815e-10 eV

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

Energy: 0.010351853360121706
Energy: 0.011050942045489896
Energy: 0.010468555076400618
Energy: 0.011050942045489896
Energy: 0.011050942045489896
Energy: 0.40966092514371083
Energy: 0.011050942045489896
Energy: 0.40966092514371083
Energy: 0.010468555076400618
Energy: 0.01105094204598961
Energy: 0.010351853360121706
Energy: 0.011050942045489896
Energy: 0.011050942045489896
Energy: 0.40966092514371083
Energy: 0.011050942045489896
Energy: 0.40966092514371083

minimum gb energy = 0.010351853360121706 eV
minimum distance =  2.81209255738666 Angstroms
sigma value = 1


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

Energy: 0.5366406943254677
Energy: 0.5323985290503984
Energy: 0.5225657627192085
Energy: 0.5323985290503984
Energy: 0.5103358986097687
Energy: 0.5287078607909415
Energy: 0.5117130502330207
Energy: 0.5287078607903355
Energy: 0.49471293900535385
Energy: 0.5239052302974568
Energy: 0.5123922317894355
Energy: 0.5239052302968509
Energy: 0.5022191547956126
Energy: 0.5295539235008415
Energy: 0.4946651190634129
Energy: 0.5295539234996295
Energy: 0.5021464367512836
Energy: 0.5364400548976211
Energy: 0.512155518457365
Energy: 0.536440054896409
Energy: 0.4929745068299284
Energy: 0.6033382405167392
Energy: 0.4834957213474579
Energy: 0.6033382405161332
Energy: 0.5255012231677042
Energy: 0.523582055039303
Energy: 0.4932428050735936
Energy: 0.523582055038697
Energy: 0.4812901551279511
Energy: 0.53659507057295
Energy: 0.480741789792555
Energy: 0.5365950705741621
Energy: 0.49462887501430763
Energy: 0.6106705350794864
Energy: 0.5210048732690904
Energy: 0.6106705350806986
Energy: 0.47682243707185584
Energy: 0.5233176638033628
Energy: 0.47532842518871876
Energy: 0.5233176638039689
Energy: 0.5055720553133806
Energy: 0.526684579646514
Energy: 0.4948093406293322
Energy: 0.526684579646514
Energy: 0.5266731680500941
Energy: 0.5365870783163519
Energy: 0.4918450166914934
Energy: 0.5365870783169581
Energy: 0.516106774408861
Energy: 0.5220173707826387
Energy: 0.5253865948154044
Energy: 0.5220173707832446
Energy: 0.5107667627490364
Energy: 0.5312459094089939
Energy: 0.48627787188295013
Energy: 0.5312459094077817
Energy: 0.5082693027268826
Energy: 0.5328635884154227
Energy: 0.4957395669092573
Energy: 0.5328635884154227
Energy: 0.5053595469858002
Energy: 0.5328349515503434
Energy: 0.49937784515023753
Energy: 0.5328349515503434
Energy: 0.5115524926069545
Energy: 0.5238924918317508
Energy: 0.4852292852529805
Energy: 0.5238924918317508
Energy: 0.5116046395030757
Energy: 0.5202808643729296
Energy: 0.5109799169385085
Energy: 0.5202808643729296
Energy: 0.502093384670117
Energy: 0.5348042637077716
Energy: 0.4880697638178395
Energy: 0.5348042637077716
Energy: 0.5267692022041681
Energy: 0.4975776220046606
Energy: 0.4960123661448727
Energy: 0.4975776220040546
Energy: 0.48231945132828563
Energy: 0.5239607947016777
Energy: 0.47477040595209974
Energy: 0.5239607947010716
Energy: 0.49466550639491563
Energy: 0.5011151754974802
Energy: 0.5668746129610635
Energy: 0.5011151754974802
Energy: 0.5608406179049349
Energy: 0.5364428866552798
Energy: 0.48577809922350756
Energy: 0.536442886656492
Energy: 0.5401615159756952
Energy: 0.5241450107405127
Energy: 0.49300272879452894
Energy: 0.5241450107417247
Energy: 0.49307206377952695
Energy: 0.5274314163924642
Energy: 0.5730907604139434
Energy: 0.527431416391252
Energy: 0.5029102043854441
Energy: 0.5367089186624232
Energy: 0.4989307808651122
Energy: 0.5367089186618171
Energy: 0.5062841325046146
Energy: 0.519787559854645
Energy: 0.4945981669441714
Energy: 0.5197875598552512
Energy: 0.49653890205004375
Energy: 0.5220715326566875
Energy: 0.5207584521372663
Energy: 0.5220715326566875
Energy: 0.5098922996824821
Energy: 0.5154940088695963
Energy: 0.5007437724309105
Energy: 0.5154940088695963
Energy: 0.5268449248926843
Energy: 0.5330629174974466
Energy: 0.523477172716158
Energy: 0.5330629174968404
Energy: 0.5026047570139895
Energy: 0.5280747197879496
Energy: 0.511398165224616
Energy: 0.5280747197879496
Energy: 0.49795030589057215
Energy: 0.5257179558030606
Energy: 0.5108529231326533
Energy: 0.5257179558030606
Energy: 0.5022469156310337
Energy: 0.5445025497226609
Energy: 0.49596183402904287
Energy: 0.5445025497220547

minimum gb energy = 0.47477040595209974 eV
minimum distance =  2.57407068527752 Angstroms
sigma value = 1


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

Energy: 0.5582966802907343
Energy: 0.56912122538307
Energy: 0.5430329301864518
Energy: 0.5691212253823791
Energy: 0.5210828200023744
Energy: 0.5470297804749359
Energy: 0.5217716114287845
Energy: 0.5470297804770089
Energy: 0.5104985388675463
Energy: 0.5698094085655598
Energy: 0.5107163000358014
Energy: 0.5698094085634868
Energy: 0.5036460114171153
Energy: 0.5065052736492572
Energy: 0.5091348091979445
Energy: 0.5065052736499484
Energy: 0.5059216725508754
Energy: 0.5537092054243234
Energy: 0.530274822342834
Energy: 0.5537092054270876
Energy: 0.5549901983504146
Energy: 0.5537117903564861
Energy: 0.5313352913597014
Energy: 0.5537117903516492
Energy: 0.5217759133499299
Energy: 0.5068264781425597
Energy: 0.5101946147175498
Energy: 0.5068264781467057
Energy: 0.48654158996638963
Energy: 0.5701473155510707
Energy: 0.4954741874576984
Energy: 0.5701473155503796
Energy: 0.5056138511812811
Energy: 0.5175995905540012
Energy: 0.5391495581136408
Energy: 0.5175995905533102
Energy: 0.49623461697314747
Energy: 0.5702617764268709
Energy: 0.5409536468485626
Energy: 0.5702617764310169
Energy: 0.5219166889759097
Energy: 0.5363168783644108
Energy: 0.5309366483105498
Energy: 0.5363168783588828
Energy: 0.4963657423130021
Energy: 0.5607011318658935
Energy: 0.5211910936798712
Energy: 0.5607011318707305
Energy: 0.517682362506794
Energy: 0.5514826217182749
Energy: 0.5185213743545676
Energy: 0.5514826217196569
Energy: 0.5173974810838982
Energy: 0.5515261443319741
Energy: 0.5195246577194971
Energy: 0.5515261443326651
Energy: 0.49642932886510766
Energy: 0.5606416154451681
Energy: 0.5309461741973711
Energy: 0.5606416154465501
Energy: 0.5218502602656913
Energy: 0.5362312391488745
Energy: 0.510187086214958
Energy: 0.5362312391523295
Energy: 0.49627394109632395
Energy: 0.5702141582980914
Energy: 0.51895321977117
Energy: 0.5702141582967093
Energy: 0.5055794923190271
Energy: 0.5176011625554267
Energy: 0.5392887744635589
Energy: 0.5176011625561175
Energy: 0.4866436569142449
Energy: 0.5700488156191167
Energy: 0.49272921120184965
Energy: 0.5700488156225717
Energy: 0.5217979885762103
Energy: 0.5099608382629074
Energy: 0.5080650720603483
Energy: 0.5099608382635983
Energy: 0.5549478046887569
Energy: 0.5536858807034523
Energy: 0.5093420447107481
Energy: 0.5536858807055253
Energy: 0.5035377224441743
Energy: 0.5537330067919772
Energy: 0.5150217204783005
Energy: 0.5537330067968144
Energy: 0.5036363802396245
Energy: 0.5065924850374615
Energy: 0.5105438906821749
Energy: 0.5065924850333154
Energy: 0.5107745493072915
Energy: 0.5697739576874811
Energy: 0.5310710927618841
Energy: 0.569773957683335
Energy: 0.5210638820032178
Energy: 0.5470567224623983
Energy: 0.52170323772342
Energy: 0.5470567224610162
Energy: 0.5582966802914253
Energy: 0.56912122538307
Energy: 0.5990604947380704
Energy: 0.5691212253823791
Energy: 0.5210828200023744
Energy: 0.5470297804742449
Energy: 0.5217716114294754
Energy: 0.5470297804749359
Energy: 0.5104985388675463
Energy: 0.5698094085655598
Energy: 0.5213750903953419
Energy: 0.5698094085627957
Energy: 0.5036460114157333
Energy: 0.5065052736492572
Energy: 0.5013618026614295
Energy: 0.5065052736499484

minimum gb energy = 0.48654158996638963 eV
minimum distance =  2.52833323536296 Angstroms
sigma value = 25


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

Energy: 0.546663574446726
Energy: 0.5845346046593632
Energy: 0.5605297065344735
Energy: 0.5845346046593632
Energy: 0.5449169015607706
Energy: 0.5523474148537959
Energy: 0.5248516658130914
Energy: 0.5523474148529928
Energy: 0.5276032295633463
Energy: 0.6127273725200629
Energy: 0.525821404722775
Energy: 0.6127273725200629
Energy: 0.5182393880371224
Energy: 0.532712983175807
Energy: 0.5200203006515475
Energy: 0.532712983175807
Energy: 0.5216435811356818
Energy: 0.5875217532658901
Energy: 0.5336280932085959
Energy: 0.5875217532666934
Energy: 0.5802402897436121
Energy: 0.6135300460234482
Energy: 0.5998736841609273
Energy: 0.6135300460234482
Energy: 0.5475845177236612
Energy: 0.5275179406444052
Energy: 0.5395724490621663
Energy: 0.5275179406460117
Energy: 0.6262885157413421
Energy: 0.5864198683079529
Energy: 0.514373855004665
Energy: 0.5864198683079529
Energy: 0.5397564342403373
Energy: 0.5583872545366343
Energy: 0.54731976007473
Energy: 0.5583872545366343
Energy: 0.5216863443831044
Energy: 0.6132515682794146
Energy: 0.5117688524723679
Energy: 0.6132515682802179
Energy: 0.5405305439509095
Energy: 0.584513807195027
Energy: 0.5252847499044238
Energy: 0.584513807195027
Energy: 0.5407255951535259
Energy: 0.584585088714973
Energy: 0.5258263509356716
Energy: 0.5845850887157762
Energy: 0.5240606199497356
Energy: 0.5711678857870175
Energy: 0.5111629102914832
Energy: 0.5711678857870175
Energy: 0.5400219275823243
Energy: 0.55977056360377
Energy: 0.5472586574011269
Energy: 0.55977056360377
Energy: 0.5025432693759242
Energy: 0.5871243648892417
Energy: 0.5135463109278868
Energy: 0.5871243648892417
Energy: 0.5462721595827182
Energy: 0.5276484280187128
Energy: 0.5221115751925353
Energy: 0.5276484280187128
Energy: 0.5036341455162078
Energy: 0.6127777529266191
Energy: 0.4975477332576764
Energy: 0.6127777529258157
Energy: 0.5199495477649936
Energy: 0.5648165166226496
Energy: 0.5353215196577744
Energy: 0.5648165166226496
Energy: 0.5138016003068072
Energy: 0.5761745859407673
Energy: 0.5222233129210895
Energy: 0.5761745859407673
Energy: 0.5467748740272783
Energy: 0.613283080120556
Energy: 0.5260768851655986
Energy: 0.613283080120556
Energy: 0.5318756799730778
Energy: 0.5548692446661944
Energy: 0.526115460264761
Energy: 0.5548692446661944
Energy: 0.5468379598735043
Energy: 0.5858094177427087
Energy: 0.5725278676500215
Energy: 0.5858094177427087
Energy: 0.5442169887029121
Energy: 0.5682702293319403
Energy: 0.5247953379662552
Energy: 0.5682702293319403
Energy: 0.5271926964931773
Energy: 0.6119869109136755
Energy: 0.5215310267850903
Energy: 0.6119869109136755
Energy: 0.5249241836112781
Energy: 0.5322659336684359
Energy: 0.5198553136043528
Energy: 0.5322659336676325

minimum gb energy = 0.4975477332576764 eV
minimum distance =  2.52726656912237 Angstroms
sigma value = 9


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

Energy: 0.5569490622239467
Energy: 0.5573893122195793
Energy: 0.5776339020238902
Energy: 0.5573893122176629
Energy: 0.554575795529405
Energy: 0.5818255649769625
Energy: 0.5460720049548267
Energy: 0.5818255649779208
Energy: 0.543303435570148
Energy: 0.5611993554551468
Energy: 0.5275576307080042
Energy: 0.5611993554541885
Energy: 0.6519017768503469
Energy: 0.563218442078293
Energy: 0.5311881169863472
Energy: 0.5632184420773347
Energy: 0.6124860465301379
Energy: 0.581600597331003
Energy: 0.5699848134788115
Energy: 0.5816005973338777
Energy: 0.5019209504708012
Energy: 0.5611979934543028
Energy: 0.5665823898410134
Energy: 0.5611979934562193
Energy: 0.57309498158738
Energy: 0.5317458514693361
Energy: 0.5318702344940575
Energy: 0.5317458514693361
Energy: 0.5784892121875755
Energy: 0.5610379101070361
Energy: 0.530146796892272
Energy: 0.5610379101070361
Energy: 0.5569650317400769
Energy: 0.5817683893334147
Energy: 0.5678672456188749
Energy: 0.5817683893334147
Energy: 0.5566569687187218
Energy: 0.557186076024118
Energy: 0.5667916623161569
Energy: 0.557186076024118
Energy: 0.5255370541729337
Energy: 0.5810700593998923
Energy: 0.5344512834128177
Energy: 0.5810700594008507
Energy: 0.5573432926373799
Energy: 0.588934480578994
Energy: 0.5334324881931557
Energy: 0.5889344805780358
Energy: 0.5019526588697578
Energy: 0.5610635923169327
Energy: 0.545098021625152
Energy: 0.5610635923169327
Energy: 0.5690920203584081
Energy: 0.5540924966109644
Energy: 0.5559309587626808
Energy: 0.5540924966138392
Energy: 0.5019976370677136
Energy: 0.5609427675765424
Energy: 0.5775221282294836
Energy: 0.5609427675765424
Energy: 0.5588191895451945
Energy: 0.5889227241028833
Energy: 0.5334432898690329
Energy: 0.588922724101925
Energy: 0.5255273410395291
Energy: 0.5811158213497636
Energy: 0.5407323243216562
Energy: 0.5811158213488055
Energy: 0.5566318842349925
Energy: 0.5573490723641964
Energy: 0.5667645009698853
Energy: 0.5573490723641964
Energy: 0.5571955595615187
Energy: 0.5817706629607975
Energy: 0.5714948238631485
Energy: 0.5817706629617558
Energy: 0.5783368808281955
Energy: 0.5611103651081077
Energy: 0.5301841939572026
Energy: 0.5611103651081077
Energy: 0.572938219241924
Energy: 0.5318189163733392
Energy: 0.5318772028688866
Energy: 0.5318189163714226

minimum gb energy = 0.5019209504708012 eV
minimum distance =  2.66600063392317 Angstroms
sigma value = 25


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

Energy: 0.5332154611942093
Energy: 0.6448232710397951
Energy: 0.5931277038988754
Energy: 0.6448232710386099
Energy: 0.5153280345756557
Energy: 0.5609947146566964
Energy: 0.5028114901844378
Energy: 0.5609947146578814
Energy: 0.5690586600384986
Energy: 0.6462792679955708
Energy: 0.5027701369044288
Energy: 0.6462792679955708
Energy: 0.5955860107380322
Energy: 0.6316467688717491
Energy: 0.6003927550800783
Energy: 0.6316467688729343
Energy: 0.599034874854341
Energy: 0.5153967254466816
Energy: 0.5535693222762972
Energy: 0.5153967254478667
Energy: 0.5045457342279012
Energy: 0.5865580734286094
Energy: 0.5685574887117607
Energy: 0.5865580734297945
Energy: 0.5296500531307828
Energy: 0.5930555020060155
Energy: 0.5033953324441456
Energy: 0.5930555020048573
Energy: 0.5933210425616169
Energy: 0.6456822971019103
Energy: 0.5338165158439079
Energy: 0.6456822971030954
Energy: 0.5028578765731323
Energy: 0.5609091918570155
Energy: 0.5167936570934403
Energy: 0.5609091918570155
Energy: 0.6348281043691094
Energy: 0.6174412353323083
Energy: 0.5682883046163938
Energy: 0.6174412353323083
Energy: 0.5427745949040806
Energy: 0.6325099004684737
Energy: 0.6871958055502029
Energy: 0.6325099004684737
Energy: 0.5023741346919132
Energy: 0.5464535456398191
Energy: 0.6271185508308521
Energy: 0.5464535456386339
Energy: 0.5929979707890538
Energy: 0.6523023302039799
Energy: 0.5020245707386405
Energy: 0.6523023302051648
Energy: 0.5029200450540784
Energy: 0.5031859775490851
Energy: 0.5957727473156645
Energy: 0.5031859775490851
Energy: 0.5609120794753125
Energy: 0.6446848275437763
Energy: 0.659576353711366
Energy: 0.6446848275437763
Energy: 0.5165326107011048
Energy: 0.5775733355319319
Energy: 0.5043458711411478
Energy: 0.577573335533117
Energy: 0.503515552373186
Energy: 0.5530638151613793
Energy: 0.6327944776351278
Energy: 0.5530638151613793

minimum gb energy = 0.5020245707386405 eV
minimum distance =  2.62271371542353 Angstroms
sigma value = 17


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

Energy: 0.5790076635997352
Energy: 0.5793127146530141
Energy: 0.6923680508662312
Energy: 0.5793127146523431
Energy: 0.5951335959846573
Energy: 0.55253209290803
Energy: 0.5175400894358368
Energy: 0.5525320929073587
Energy: 0.6397016218131728
Energy: 0.5709323117767607
Energy: 0.5165518542768522
Energy: 0.5709323117754185
Energy: 0.5658405359478224
Energy: 0.5838414841879891
Energy: 0.5685237250231739
Energy: 0.5838414841893314
Energy: 0.6306354498197873
Energy: 0.5577234641714353
Energy: 0.5334622343572962
Energy: 0.5577234641707641
Energy: 0.5293049482005681
Energy: 0.5860058473818791
Energy: 0.6042130487025128
Energy: 0.5860058473825501
Energy: 0.518062525075596
Energy: 0.5782695717359848
Energy: 0.5538370137311481
Energy: 0.5782695717353136
Energy: 0.6010996878327044
Energy: 0.585604013773189
Energy: 0.5306774957523459
Energy: 0.585604013773189
Energy: 0.5352825984361367
Energy: 0.6052165826151212
Energy: 0.6258976427036763
Energy: 0.6052165826144502
Energy: 0.6805281870880278
Energy: 0.5748664279196183
Energy: 0.5172857631158524
Energy: 0.5748664279189473
Energy: 0.5186833098886924
Energy: 0.5844401362085991
Energy: 0.6362340506181583
Energy: 0.5844401362085991
Energy: 0.5676304937284513
Energy: 0.5774227176541342
Energy: 0.5651992079075676
Energy: 0.5774227176548055
Energy: 0.6403690503290821
Energy: 0.5793921368730046
Energy: 0.5811842503617672
Energy: 0.5793921368723334
Energy: 0.5163221113698069
Energy: 0.6543949764959301
Energy: 0.5941705013420702
Energy: 0.654394976495259
Energy: 0.5798810144394065
Energy: 0.5789645532556464
Energy: 0.5692816298445894
Energy: 0.5789645532550058
Energy: 0.590745011568111
Energy: 0.5855884274409049
Energy: 0.6007450860180455
Energy: 0.5855884274415761
Energy: 0.5536040877761073
Energy: 0.5988271271766317
Energy: 0.6689815167114397
Energy: 0.5988271271752893
Energy: 0.5764702526490844
Energy: 0.5713168279072917
Energy: 0.5292335637693821
Energy: 0.5713168279079628
Energy: 0.579106315313872
Energy: 0.6012133328609011
Energy: 0.5490488577822551
Energy: 0.6012133328609011
Energy: 0.554165335798679
Energy: 0.5842492868712228
Energy: 0.5174267380901524
Energy: 0.584249286876592
Energy: 0.5577412402118341
Energy: 0.5759168775747301
Energy: 0.6023532019381699
Energy: 0.5759168775747301
Energy: 0.5181832777819911
Energy: 0.6236413360312265
Energy: 0.6750807595702957
Energy: 0.6236413360318975
Energy: 0.615661642328838
Energy: 0.5851454483101118
Energy: 0.5158312294891031
Energy: 0.5851454483107831
Energy: 0.56476384596279
Energy: 0.5803288384681923
Energy: 0.5888546269693559
Energy: 0.5803288384688635
Energy: 0.5687225344106062
Energy: 0.5761666142035403
Energy: 0.6396337933090604
Energy: 0.5761666142042117
Energy: 0.6193845664356621
Energy: 0.5822081382665888
Energy: 0.5167565372419243
Energy: 0.5822081382665888
Energy: 0.5332356155308898
Energy: 0.6610302457492433
Energy: 0.6998381158691825
Energy: 0.6610302457492433
Energy: 0.6034791391429934
Energy: 0.5862521209401205
Energy: 0.603244535923516
Energy: 0.5862521209401205
Energy: 0.6701935597618164
Energy: 0.6133927301691492
Energy: 0.5585408717930652
Energy: 0.6133927301698203
Energy: 0.5308206738202571
Energy: 0.6004285564771241
Energy: 0.6449061971372213
Energy: 0.6004285564771241

minimum gb energy = 0.5158312294891031 eV
minimum distance =  2.5112548821169 Angstroms
sigma value = 53


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

Energy: 0.4815127493581493
Energy: 0.4817100516081747
Energy: 0.68543135661768
Energy: 0.4817100516066295
Energy: 0.5925923645357695
Energy: 0.5471646170584994
Energy: 0.49309037425612406
Energy: 0.5471646170569543
Energy: 0.49281954222949437
Energy: 0.4816281031213314
Energy: 0.5967585895965599
Energy: 0.4816281031182411
Energy: 0.49281794711776433
Energy: 0.48170994944519047
Energy: 0.5723845329534101
Energy: 0.4817099494436453
Energy: 0.6103430725356858
Energy: 0.5470374991363991
Energy: 0.5225722133488026
Energy: 0.5470374991379441
Energy: 0.4815127493581493
Energy: 0.4817100516081747
Energy: 0.7082961400912557
Energy: 0.4817100516066295
Energy: 0.5925923645342243
Energy: 0.5471646170584994
Energy: 0.5573947401469236
Energy: 0.5471646170584994
Energy: 0.4928195422264042
Energy: 0.48162810311978627
Energy: 0.5967585895965599
Energy: 0.48162810311978627
Energy: 0.49281794711776433
Energy: 0.48170994944519047
Energy: 0.590971458574046
Energy: 0.4817099494436453
Energy: 0.6103430725356858
Energy: 0.5470374991363991
Energy: 0.5884925576159478
Energy: 0.5470374991379441
Energy: 0.4815127493581493
Energy: 0.4817100516081747
Energy: 0.7082961400912557
Energy: 0.4817100516066295
Energy: 0.5925923645326792
Energy: 0.5471646170584994
Energy: 0.5974601188145603
Energy: 0.5471646170569543
Energy: 0.4928195422279493
Energy: 0.4816281031213314
Energy: 0.5967585895965599
Energy: 0.4816281031182411

minimum gb energy = 0.4815127493581493 eV
minimum distance =  2.59761569787242 Angstroms
sigma value = 9


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

Energy: 0.5379757740039325
Energy: 0.6911626842668319
Energy: 0.747524056229541
Energy: 0.6911626842668319
Energy: 0.6693665629877029
Energy: 0.5662891468298789
Energy: 0.5467061246809666
Energy: 0.566289146828761
Energy: 0.5438862835566274
Energy: 0.5296637412764108
Energy: 0.5375439615426488
Energy: 0.5296637412769827
Energy: 0.6189947126275988
Energy: 0.6471969937639145
Energy: 0.5467601423981366
Energy: 0.6471969937639145
Energy: 0.6164028379809176
Energy: 0.5577732361575316
Energy: 0.5535624815818927
Energy: 0.5577732361581034
Energy: 0.5291750959436391
Energy: 0.5291986474368932
Energy: 0.6190071968501459
Energy: 0.5291986474368932
Energy: 0.7257059782338678
Energy: 0.5546384284200078
Energy: 0.5467244452511858
Energy: 0.554638428418864
Energy: 0.5514812429386106
Energy: 0.6636730156144219
Energy: 0.6208587573515031
Energy: 0.6636730156144219
Energy: 0.5453019656687205
Energy: 0.607585558461768
Energy: 0.534332582023297
Energy: 0.6075855584629117
Energy: 0.5453054829940546
Energy: 0.5646889252137601
Energy: 0.5476656564084763
Energy: 0.5646889252143319
Energy: 0.5522530817587088
Energy: 0.6013620810074716
Energy: 0.7282592132359627
Energy: 0.6013620810074716
Energy: 0.6420815913455018
Energy: 0.6289489941390364
Energy: 0.5430767100652035
Energy: 0.6289489941378926
Energy: 0.5454611668135894
Energy: 0.620571051964764
Energy: 0.6869055545895743
Energy: 0.6205710519653359
Energy: 0.6215107495938647
Energy: 0.6624749742281031
Energy: 0.5425338373018722
Energy: 0.6624749742281031
Energy: 0.5483995309258693
Energy: 0.6260626908741791
Energy: 0.6290235164587397
Energy: 0.6260626908736071
Energy: 0.5470973539714153
Energy: 0.6500977118811454
Energy: 0.6228783189701284
Energy: 0.6500977118805735
Energy: 0.5949516230230981
Energy: 0.6249254156045895
Energy: 0.5486781991722082
Energy: 0.6249254156051613
Energy: 0.5534902270645015
Energy: 0.5544513404176844
Energy: 0.6285313378627165
Energy: 0.5544513404165407
Energy: 0.6380298169195073
Energy: 0.6203959459076569
Energy: 0.53088137095875
Energy: 0.6203959459082288
Energy: 0.5425297041416567
Energy: 0.5746881343390985
Energy: 0.609192539062736
Energy: 0.5746881343379546
Energy: 0.6356631033260602
Energy: 0.6434838394328883
Energy: 0.6206456468553185
Energy: 0.6434838394323165
Energy: 0.5949350584505401
Energy: 0.6216655622906859
Energy: 0.5451555116106489
Energy: 0.6216655622906859
Energy: 0.534030452884628
Energy: 0.620917356278777
Energy: 0.5451290481356215
Energy: 0.620917356279349
Energy: 0.7305059637384346
Energy: 0.6269786173933856
Energy: 0.5505513942513536
Energy: 0.6269786173928136
Energy: 0.5466382776705261
Energy: 0.6385891155657788
Energy: 0.7158241964567135
Energy: 0.6385891155657788
Energy: 0.5822937126789152
Energy: 0.5700432258263063
Energy: 0.5441567280519267
Energy: 0.5700432258274499
Energy: 0.5803427402079334
Energy: 0.6351980215750602
Energy: 0.6180453776382062
Energy: 0.6351980215756321
Energy: 0.5451789524845981
Energy: 0.662513869222622
Energy: 0.6184982998581124
Energy: 0.6625138692220501
Energy: 0.573041451540543
Energy: 0.529480700831261
Energy: 0.5437845341209177
Energy: 0.5294807008301172
Energy: 0.5463771320457429
Energy: 0.6385682481783943
Energy: 0.6877606786161785
Energy: 0.6385682481795381
Energy: 0.6901685200674214
Energy: 0.6401406884007214
Energy: 0.5500212851760345
Energy: 0.6401406884007214
Energy: 0.5298879710570137
Energy: 0.5556748217695208
Energy: 0.5444358385872337
Energy: 0.5556748217700926
Energy: 0.530443337029088
Energy: 0.6026396273444266
Energy: 0.5475851310785962
Energy: 0.6026396273438547
Energy: 0.6253509294855341
Energy: 0.6435416050230477
Energy: 0.6192671717995625
Energy: 0.6435416050230477
Energy: 0.5531322972515824
Energy: 0.6407236786841971
Energy: 0.7224935650176115
Energy: 0.6407236786836252

minimum gb energy = 0.5291750959436391 eV
minimum distance =  2.54370926232268 Angstroms
sigma value = 73


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

Energy: 0.5727605799018337
Energy: 0.573609436428964
Energy: 0.7384588229721023
Energy: 0.5736094364298713
Energy: 0.6170816653060227
Energy: 0.5779934468267712
Energy: 0.5571720816514387
Energy: 0.5779934468276786
Energy: 0.5565070918676818
Energy: 0.5603449092621999
Energy: 0.5338924677274726
Energy: 0.5603449092612927
Energy: 0.5522565856614534
Energy: 0.5538647097615672
Energy: 0.5805334487738517
Energy: 0.5538647097606599
Energy: 0.5835425692155701
Energy: 0.5841585678090472
Energy: 0.5622079692737392
Energy: 0.5841585678081398
Energy: 0.5666007571014502
Energy: 0.5442234402766762
Energy: 0.669296939455805
Energy: 0.5442234402775836
Energy: 0.7215153032980672
Energy: 0.6177521603444484
Energy: 0.5569781506225402
Energy: 0.6177521603453557
Energy: 0.5473742867731335
Energy: 0.526694094023765
Energy: 0.6870294248677781
Energy: 0.5266940940246723
Energy: 0.6957685029683995
Energy: 0.5271097439957643
Energy: 0.5266443924648803
Energy: 0.5271097439948569
Energy: 0.5559334014272609
Energy: 0.6144131492045994
Energy: 0.5584955320118417
Energy: 0.6144131492045994
Energy: 0.546910610497343
Energy: 0.5606133020285491
Energy: 0.6655361595002857
Energy: 0.5606133020294564
Energy: 0.6239000667457137
Energy: 0.5532459202920109
Energy: 0.5521506315486475
Energy: 0.5532459202920109
Energy: 0.5535537145113826
Energy: 0.5633656210411336
Energy: 0.6359372681659373
Energy: 0.5633656210438556
Energy: 0.6904638401578345
Energy: 0.6084675704045771
Energy: 0.5660067242244949
Energy: 0.6084675704036697
Energy: 0.5323480889005053
Energy: 0.644806742778507
Energy: 0.6689424851047997
Energy: 0.6448067427775998
Energy: 0.6596691478548249
Energy: 0.5816834515488046
Energy: 0.5474160877050763
Energy: 0.5816834515488046
Energy: 0.5734864487855211
Energy: 0.5734333099509806
Energy: 0.555844819855383
Energy: 0.5734333099509806
Energy: 0.5735135491573776
Energy: 0.5739010747315433
Energy: 0.5682011445386974
Energy: 0.5739010747324506
Energy: 0.5466984094647674
Energy: 0.5270070627939125
Energy: 0.5460139145418587
Energy: 0.5270070627948199
Energy: 0.555934326242926
Energy: 0.6047407428568712
Energy: 0.7310235935503964
Energy: 0.6047407428559638
Energy: 0.6802067960688087
Energy: 0.5643084141507654
Energy: 0.5653736977748903
Energy: 0.5643084141489507
Energy: 0.5805960224808535
Energy: 0.5838411745375662
Energy: 0.6165436879609896
Energy: 0.5838411745384529

minimum gb energy = 0.5266443924648803 eV
minimum distance =  2.57184755999456 Angstroms
sigma value = 7


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

Energy: 0.5453261206861577
Energy: 0.5461162570712745
Energy: 0.7390089675771356
Energy: 0.5461162570725578
Energy: 0.7092089846253667
Energy: 0.5718598660619619
Energy: 0.5608850554501639
Energy: 0.5718598660619619
Energy: 0.5471130151357736
Energy: 0.5464205259850147
Energy: 0.5661484785799421
Energy: 0.5464205259850147
Energy: 0.5881341632181512
Energy: 0.579620521058842
Energy: 0.5722890307314836
Energy: 0.5796205210562756
Energy: 0.554957917733646
Energy: 0.5778645365935763
Energy: 0.5487891996216698
Energy: 0.5778645365935763
Energy: 0.5489114977452753
Energy: 0.5854827846355541
Energy: 0.6924593206227185
Energy: 0.5854827846387621
Energy: 0.6553402340289588
Energy: 0.6490829410785092
Energy: 0.5797308400032748
Energy: 0.649082941077226
Energy: 0.5490398579485724
Energy: 0.5464838661888678
Energy: 0.7356941667357577
Energy: 0.5464838661875846
Energy: 0.6246662289953475
Energy: 0.5727014339659315
Energy: 0.5570956877226966
Energy: 0.5727014339640067
Energy: 0.5540602636775749
Energy: 0.5816044312657392
Energy: 0.63435484181975
Energy: 0.5816044312670224
Energy: 0.5723029813868542
Energy: 0.5849449235639821
Energy: 0.5977121958363066
Energy: 0.5849449235639821
Energy: 0.5473024081936779
Energy: 0.5779527238310006
Energy: 0.5747802426795752
Energy: 0.5779527238290757
Energy: 0.5463889485402487
Energy: 0.5464609871317185
Energy: 0.5920489466850526
Energy: 0.5464609871323601
Energy: 0.5661793423801617
Energy: 0.5429386459839791
Energy: 0.5902804534142271
Energy: 0.5429386459910364
Energy: 0.55261200137273
Energy: 0.643752695167374
Energy: 0.671622685191991
Energy: 0.6437526951628829
Energy: 0.7492859019088208
Energy: 0.5429270785447713
Energy: 0.5549062873890838
Energy: 0.542927078542205
Energy: 0.5671573548282297
Energy: 0.5907470461687627
Energy: 0.640716331500262
Energy: 0.590747046166838
Energy: 0.5469997491227021
Energy: 0.6344901161550301
Energy: 0.5735944243617586
Energy: 0.6344901161537471
Energy: 0.567094168703235
Energy: 0.5856831634033923
Energy: 0.597142683963748
Energy: 0.5856831634046755
Energy: 0.553930742492831
Energy: 0.5763594821220437
Energy: 0.5756602295561775
Energy: 0.5763594821188358
Energy: 0.5879799530643488
Energy: 0.5601055207707606
Energy: 0.55717739994888
Energy: 0.5601055207681943
Energy: 0.5546031994402086
Energy: 0.6347402413200744
Energy: 0.6285521757137398
Energy: 0.6347402413181498
Energy: 0.6909704622314429
Energy: 0.5742488323757803
Energy: 0.5653796081418601
Energy: 0.5742488323764219
Energy: 0.5479780322430099
Energy: 0.5462682268627911
Energy: 0.6956939663431243
Energy: 0.5462682268608664
Energy: 0.596874619172246
Energy: 0.5766117553731793
Energy: 0.5727711654488348
Energy: 0.5766117553757455
Energy: 0.5881343689211047
Energy: 0.5848806226665176
Energy: 0.5714809751845105
Energy: 0.5848806226729333
Energy: 0.5548197084168431
Energy: 0.5829774573445456
Energy: 0.6035038501132969
Energy: 0.5829774573432625
Energy: 0.5877381834960643
Energy: 0.5905190560305112
Energy: 0.5731697813119492
Energy: 0.5905190560305112
Energy: 0.5465260343560366
Energy: 0.5464444796267448
Energy: 0.6576222295399928
Energy: 0.54644447962482
Energy: 0.6408984273091193
Energy: 0.573745521777646
Energy: 0.5608472408707342
Energy: 0.5737455217782876
Energy: 0.5463957840933956
Energy: 0.5466622983243307
Energy: 0.6721429082593058
Energy: 0.5466622983243307

minimum gb energy = 0.542927078542205 eV
minimum distance =  2.56006414293416 Angstroms
sigma value = 29


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

Energy: 0.5234566513367688
Energy: 0.5376746303088162
Energy: 0.5440914189832115
Energy: 0.5376746303088162
Energy: 0.598394031511021
Energy: 0.5243603190824565
Energy: 0.5685713289383779
Energy: 0.5243603452886962
Energy: 0.5434247660872487
Energy: 0.5429298677846696
Energy: 0.5443341700806641
Energy: 0.542929867785762
Energy: 0.523396224269853
Energy: 0.510184117279916
Energy: 0.568545975540688
Energy: 0.510184117281232
Energy: 0.5236556013183655
Energy: 0.5385709332628422
Energy: 0.6303505389560158
Energy: 0.5385709332628422
Energy: 0.5628393546412014
Energy: 0.542144088608614
Energy: 0.562847864964903
Energy: 0.5421440886083906
Energy: 0.543720640308543
Energy: 0.5381810067025821
Energy: 0.5236145361968836
Energy: 0.5381810067032278
Energy: 0.5685597094953798
Energy: 0.5102600515860892
Energy: 0.5255122457634828
Energy: 0.5102600515476506
Energy: 0.5440236295588735
Energy: 0.542940382125626
Energy: 0.6303896230061882
Energy: 0.542940382125626

minimum gb energy = 0.510184117279916 eV
minimum distance =  2.61580836485606 Angstroms
sigma value = 5


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

Energy: 0.5144734371648464
Energy: 0.5282625446304815
Energy: 0.6391031765634867
Energy: 0.5282625446292695
Energy: 0.6033297044670354
Energy: 0.5466548861958456
Energy: 0.5247497882067508
Energy: 0.5466548861976638
Energy: 0.5068395792990429
Energy: 0.5274824685264444
Energy: 0.6274866920713345
Energy: 0.5274824685264444
Energy: 0.5234809347678377
Energy: 0.5437273272048848
Energy: 0.5074549753055216
Energy: 0.543727327206097
Energy: 0.5078766831328749
Energy: 0.5466059917515077
Energy: 0.5988725765439313
Energy: 0.5466059917484776
Energy: 0.5666268666788962
Energy: 0.5805984514508623
Energy: 0.5058387716699102
Energy: 0.5805984514502562
Energy: 0.5063361136938278
Energy: 0.5444751418069151
Energy: 0.5033978086909873
Energy: 0.5444751418075212
Energy: 0.5049995987815241
Energy: 0.5803727536048402
Energy: 0.5088388412286937
Energy: 0.5803727536048402
Energy: 0.5086548536620153
Energy: 0.5461853236059728
Energy: 0.517814470548406
Energy: 0.5461853236071849
Energy: 0.5060641565114882
Energy: 0.5445751759558555
Energy: 0.50731798310062
Energy: 0.5445751759564615
Energy: 0.5272223533558942
Energy: 0.5808459588584587
Energy: 0.5074649242667101
Energy: 0.5808459588578527
Energy: 0.5202563558438956
Energy: 0.5554360199050342
Energy: 0.5288565010720111
Energy: 0.5554360199056403
Energy: 0.5673163689751235
Energy: 0.5285475195802742
Energy: 0.5223949042764421
Energy: 0.5285475195802742
Energy: 0.5149172032554824
Energy: 0.529009696657905
Energy: 0.5724641942085347
Energy: 0.529009696656693
Energy: 0.6402354329886064
Energy: 0.5452829753129508
Energy: 0.5076259692285379
Energy: 0.545282975313557
Energy: 0.5062694382539397
Energy: 0.5271648743613843
Energy: 0.5661166919569246
Energy: 0.5271648743613843
Energy: 0.5997989476628343
Energy: 0.5173582900264014
Energy: 0.5142267144830077
Energy: 0.5173582900264014
Energy: 0.508197375805718
Energy: 0.5283827611228813
Energy: 0.6410666358320236
Energy: 0.5283827611228813
Energy: 0.5029773394363084
Energy: 0.5456235326761245
Energy: 0.5027923644423566
Energy: 0.5456235326767307
Energy: 0.5083771696856223
Energy: 0.6143408159522847
Energy: 0.5151698391539667
Energy: 0.6143408159522847
Energy: 0.5148030082364764
Energy: 0.5431690692165848
Energy: 0.5096218695790431
Energy: 0.5431690692165848
Energy: 0.5251859966209697
Energy: 0.5446526777275523
Energy: 0.5037276841978297
Energy: 0.5446526777275523
Energy: 0.5096523176771418
Energy: 0.5289964467864474
Energy: 0.5076559386710962
Energy: 0.5289964467858413
Energy: 0.5280230732838848
Energy: 0.5268719441072606
Energy: 0.507733112364771
Energy: 0.5268719441072606
Energy: 0.5331016206307025
Energy: 0.5202287739158062
Energy: 0.5094218278688378
Energy: 0.5202287739158062
Energy: 0.5208161386858288
Energy: 0.5288601889340394
Energy: 0.5087287212599713
Energy: 0.5288601889334333
Energy: 0.507611255574188
Energy: 0.5415428329200962
Energy: 0.5168951717325949
Energy: 0.5415428329200962
Energy: 0.5820556006258709
Energy: 0.5475498485114844
Energy: 0.5062210480344382
Energy: 0.5475498485114844
Energy: 0.512983974668786
Energy: 0.5079759786989195
Energy: 0.7117060758246538
Energy: 0.5079759786989195
Energy: 0.6264711667219915
Energy: 0.5281703524445538
Energy: 0.508119531570092
Energy: 0.5281703524445538
Energy: 0.505427014895958
Energy: 0.5154114224696488
Energy: 0.6176820606730641
Energy: 0.5154114224702547
Energy: 0.6030649664079788
Energy: 0.5589761369134103
Energy: 0.5068262655573748
Energy: 0.5589761369134103
Energy: 0.5079951325729569
Energy: 0.550306209655902
Energy: 0.5157058205846459
Energy: 0.550306209655902

minimum gb energy = 0.5027923644423566 eV
minimum distance =  2.55673088911927 Angstroms
sigma value = 1


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

Energy: 0.5702603656289272
Energy: 0.5042309696346566
Energy: 0.6738999831203233
Energy: 0.5042309696321428
Energy: 0.5457940544970354
Energy: 0.527680718889173
Energy: 0.48943953226772435
Energy: 0.527680718889173
Energy: 0.48681731539795325
Energy: 0.5030405576231954
Energy: 0.5952789636934792
Energy: 0.5030405576240334
Energy: 0.5420547174836718
Energy: 0.5274121913821789
Energy: 0.4910565620411159
Energy: 0.5274121913821789
Energy: 0.48392903462654857
Energy: 0.5430847766014868
Energy: 0.6087085239584756
Energy: 0.5430847766006489
Energy: 0.48372384452067174
Energy: 0.5439012854341686
Energy: 0.4908976696944931
Energy: 0.5439012854350066
Energy: 0.486588885481305
Energy: 0.5463118091486755
Energy: 0.49848133887700913
Energy: 0.5463118091478377
Energy: 0.485621181659916
Energy: 0.5435294135016477
Energy: 0.4949219420697243
Energy: 0.5435294135024857
Energy: 0.5026210696530998
Energy: 0.5034636037746579
Energy: 0.494945334828379
Energy: 0.5034636037754959
Energy: 0.5025546285378253
Energy: 0.49879669425217077
Energy: 0.5135842762070547
Energy: 0.4987966942530086
Energy: 0.48618324716642325
Energy: 0.5769271242443286
Energy: 0.4952295546840309
Energy: 0.5769271242451666
Energy: 0.4851060563800521
Energy: 0.5439985385571191
Energy: 0.5724131989509549
Energy: 0.5439985385587949
Energy: 0.4796752043339908
Energy: 0.5029223343000928
Energy: 0.4915510909392136
Energy: 0.5029223343009309
Energy: 0.47973626713325207
Energy: 0.5028669860944576
Energy: 0.5579352171891513
Energy: 0.5028669860927817
Energy: 0.5598663535442854
Energy: 0.5273238218109181
Energy: 0.49153669634796177
Energy: 0.527323821811756
Energy: 0.4867452137620862
Energy: 0.5028392953994657
Energy: 0.6164553196064829
Energy: 0.5028392953961138
Energy: 0.57039347911932
Energy: 0.5149383175452761
Energy: 0.48775589160229593
Energy: 0.5149383175469521
Energy: 0.5702603656289272
Energy: 0.5042309696338187
Energy: 0.6739032996054641
Energy: 0.5042309696388464
Energy: 0.5457940544978733
Energy: 0.527680718890011
Energy: 0.48943953226772435
Energy: 0.5276807188908489
Energy: 0.48681731539879125
Energy: 0.5030405576231954
Energy: 0.5952789636918032
Energy: 0.5030405576240334
Energy: 0.5420547174836718
Energy: 0.527412191381341
Energy: 0.4910565620411159
Energy: 0.5274121913821789
Energy: 0.48392903462654857
Energy: 0.5430847766006489
Energy: 0.6087085239584756
Energy: 0.5430847766014868
Energy: 0.48372384452067174
Energy: 0.5439012854341686
Energy: 0.4908976696944931
Energy: 0.5439012854350066
Energy: 0.486588885481305
Energy: 0.5463118091486755
Energy: 0.49848133888704554
Energy: 0.5463118091478377

minimum gb energy = 0.4796752043339908 eV
minimum distance =  2.57578785850118 Angstroms
sigma value = 17


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

Energy: 0.5035677952324447
Energy: 0.5039390885902771
Energy: 0.7084017101863285
Energy: 0.5039390885897591
Energy: 0.5740144783448945
Energy: 0.4971132557178705
Energy: 0.4893310528243289
Energy: 0.4971132557209781
Energy: 0.48651680078582654
Energy: 0.49954235826967575
Energy: 0.6098725857309512
Energy: 0.4995423582691579
Energy: 0.546473795282385
Energy: 0.5862369922164511
Energy: 0.4862567612820614
Energy: 0.5862369922159333
Energy: 0.49008345033604955
Energy: 0.5310282715212897
Energy: 0.624054530928102
Energy: 0.5310282715223256
Energy: 0.5036469723816034
Energy: 0.5936053211485695
Energy: 0.49141011600038537
Energy: 0.5936053211480515
Energy: 0.4990822165234242
Energy: 0.5237400981663688
Energy: 0.5000046577962126
Energy: 0.5237400981663688
Energy: 0.49899918075150174
Energy: 0.5994321882789183
Energy: 0.487793999476068
Energy: 0.5994321882768466
Energy: 0.5065154392300013
Energy: 0.5968219105654922
Energy: 0.5198228927707087
Energy: 0.5968219105660101
Energy: 0.5082621630836546
Energy: 0.5978143110505656
Energy: 0.49341026075999556
Energy: 0.5978143110495298
Energy: 0.4895342014297275
Energy: 0.5889508792076922
Energy: 0.49118636080946004
Energy: 0.5889508792066563
Energy: 0.48435179760055197
Energy: 0.5177684736699806
Energy: 0.4818087345966664
Energy: 0.5177684736704985
Energy: 0.5016032421073706
Energy: 0.5936892884352213
Energy: 0.4902056631079706
Energy: 0.5936892884315957
Energy: 0.49477049089431874
Energy: 0.5302834180547864
Energy: 0.5042162262783575
Energy: 0.5302834180537505
Energy: 0.4908604015836318
Energy: 0.5889161503597014
Energy: 0.5090644654844018
Energy: 0.5889161503602192
Energy: 0.4910511531157325
Energy: 0.4999648283852342
Energy: 0.6224723426692907
Energy: 0.4999648283847163
Energy: 0.5142879639139338
Energy: 0.5885916011854969
Energy: 0.4900957752515957
Energy: 0.5885916011870508
Energy: 0.48336532036568436
Energy: 0.5044995569965395
Energy: 0.5182615633903332
Energy: 0.5044995569955038
Energy: 0.5656265766458488
Energy: 0.5199077639388293
Energy: 0.48911891814869896
Energy: 0.5199077639357216
Energy: 0.4884047660136242
Energy: 0.4999120249996559
Energy: 0.6070521068894915
Energy: 0.49991202500120974
Energy: 0.6652032567366741
Energy: 0.49323110933514497
Energy: 0.49753048989849225
Energy: 0.4932311093372167
Energy: 0.4978766325230959
Energy: 0.5046136645496733
Energy: 0.5888099076315711
Energy: 0.5046136645491552
Energy: 0.5585063358774656
Energy: 0.5907728563547128
Energy: 0.4896701204056776
Energy: 0.5907728563552307
Energy: 0.48912188315929883
Energy: 0.5247143220436832
Energy: 0.572673520593535
Energy: 0.5247143220431651
Energy: 0.5357718065102006
Energy: 0.5548076807139406
Energy: 0.4846006121949172
Energy: 0.554807680711351
Energy: 0.49144735024640884
Energy: 0.5309090940407549
Energy: 0.5140348104940707
Energy: 0.5309090940402369
Energy: 0.5642576403538094
Energy: 0.5962466906318258
Energy: 0.49206858969425854
Energy: 0.5962466906318258
Energy: 0.511838905992066
Energy: 0.589111352600389
Energy: 0.4892306296144895
Energy: 0.5891113525993531
Energy: 0.5041130577501335
Energy: 0.5300288574969655
Energy: 0.49693572238841033
Energy: 0.5300288574964476
Energy: 0.49124928219979397
Energy: 0.5938750852430598
Energy: 0.5283433419326483
Energy: 0.5938750852425418
Energy: 0.4886324565464905
Energy: 0.5293334359204996
Energy: 0.48391831078486125
Energy: 0.529333435918428
Energy: 0.4890198334096074
Energy: 0.589073280120972
Energy: 0.4896087508241026
Energy: 0.5890732801251155
Energy: 0.49200609773517423
Energy: 0.5987204821925873
Energy: 0.576358545883575
Energy: 0.5987204821931054
Energy: 0.5248783871431456
Energy: 0.596327870185258
Energy: 0.49497010095885763
Energy: 0.5963278701868119
Energy: 0.4871808081933081
Energy: 0.5047562302298887
Energy: 0.5141090228519833
Energy: 0.5047562302350679
Energy: 0.5240192163284443
Energy: 0.5245592550660363
Energy: 0.49983617470581393
Energy: 0.52455925506759
Energy: 0.4896222255555843
Energy: 0.5955989234737197
Energy: 0.5049384986254846
Energy: 0.595598923471648
Energy: 0.6285284283177299
Energy: 0.5317517807378579
Energy: 0.4906909951534553
Energy: 0.5317517807388938

minimum gb energy = 0.4818087345966664 eV
minimum distance =  2.56260115711786 Angstroms
sigma value = 89


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

Energy: 0.4402619608214071
Energy: 0.440509978905965
Energy: 0.7876153786712732
Energy: 0.440509978905965
Energy: 0.4408842384977197
Energy: 0.45361355320071634
Energy: 0.4504446777310022
Energy: 0.45361355320071634
Energy: 0.44873727974233396
Energy: 0.5139966616734286
Energy: 0.7881546706245441
Energy: 0.5139966616734286
Energy: 0.4622510888440415
Energy: 0.4535651655307163
Energy: 0.4505186111610598
Energy: 0.4535651655307163
Energy: 0.4487958856274892
Energy: 0.4806967341296554
Energy: 0.745524568522446
Energy: 0.4806967341296554
Energy: 0.4488449240529908
Energy: 0.44071613575951557
Energy: 0.4423596041049026
Energy: 0.44071613576087076
Energy: 0.4489457700168965
Energy: 0.5157836916952426
Energy: 0.44068984456690075
Energy: 0.5157836916952426
Energy: 0.4605935101136389
Energy: 0.5140421109321144
Energy: 0.45045622407837693
Energy: 0.5140421109321144
Energy: 0.4489610020340705
Energy: 0.48076009289454347
Energy: 0.44551049239677193
Energy: 0.4807600928958986
Energy: 0.4536753540524293
Energy: 0.47893998637233853
Energy: 0.44888784389921266
Energy: 0.4789399863750488
Energy: 0.44027055941500676
Energy: 0.45365826573398077
Energy: 0.44871746854891864
Energy: 0.45365826573398077
Energy: 0.44044544103228
Energy: 0.513828418717834
Energy: 0.45045565571809154
Energy: 0.513828418717834
Energy: 0.4493539804714395
Energy: 0.4406619827445107
Energy: 0.46859317297852476
Energy: 0.4406619827445107
Energy: 0.44895553138875116
Energy: 0.47897459677088156
Energy: 0.448983572313909
Energy: 0.47897459677088156
Energy: 0.44557710789754973
Energy: 0.44144283496404263
Energy: 0.44879011934785323
Energy: 0.44144283496404263

minimum gb energy = 0.4402619608214071 eV
minimum distance =  2.59354333638179 Angstroms
sigma value = 13


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

Energy: 0.45180071018975493
Energy: 0.43508797533394133
Energy: 0.707346068500595
Energy: 0.4350879753322374
Energy: 0.5256411744530551
Energy: 0.44488532249077783
Energy: 0.43507445373342224
Energy: 0.44488532248964185
Energy: 0.4353074399382483
Energy: 0.4354364388124235
Energy: 0.7092315860305731
Energy: 0.43543643881017735
Energy: 0.4355360755587089
Energy: 0.44489045428867635
Energy: 0.43249361561218674
Energy: 0.4448904542920843
Energy: 0.441904692890851
Energy: 0.4652329000506189
Energy: 0.4768755409447224
Energy: 0.4652329000517549
Energy: 0.44194817502144146
Energy: 0.44656190631870585
Energy: 0.44278715688283543
Energy: 0.44656190631984183
Energy: 0.441879883819407
Energy: 0.44630079849247384
Energy: 0.5791605798828399
Energy: 0.4463007984896339
Energy: 0.4366715738994295
Energy: 0.4453428758095817
Energy: 0.44280135849830937
Energy: 0.4453428758073097
Energy: 0.4416138909173901
Energy: 0.4632620429516928
Energy: 0.5176992798067185
Energy: 0.4632620429545328
Energy: 0.5240339913859349
Energy: 0.472888531589193
Energy: 0.4323187705699926
Energy: 0.472888531583513
Energy: 0.4411495595717042
Energy: 0.4737571700352432
Energy: 0.45309730782813573
Energy: 0.4737571700420592
Energy: 0.579434452219345
Energy: 0.47289769039249935
Energy: 0.4368915261750842
Energy: 0.4728976903913633
Energy: 0.4587904770682498
Energy: 0.4432014531252556
Energy: 0.4419391850278569
Energy: 0.4432014531303677
Energy: 0.6004029201190745
Energy: 0.4732025442036927
Energy: 0.4366195471672662
Energy: 0.47320254420255664
Energy: 0.4414893557364434
Energy: 0.43467249905953687
Energy: 0.4425431112715289
Energy: 0.43467249905669686
Energy: 0.43719382944003315
Energy: 0.4734173000930129
Energy: 0.4310710664338841
Energy: 0.4734173000867649
Energy: 0.4449547490908481
Energy: 0.4615428918968186
Energy: 0.4310116622908717
Energy: 0.4615428918945466
Energy: 0.45257751034713484
Energy: 0.46198637424083006
Energy: 0.44134354099883705
Energy: 0.46198637424083006
Energy: 0.4447520183344619
Energy: 0.44539214527843113
Energy: 0.44169304932829934
Energy: 0.44539214525003124
Energy: 0.44482837839939077
Energy: 0.4456458908707363
Energy: 0.44134410406985414
Energy: 0.4456458908662181
Energy: 0.4525985233689864
Energy: 0.46195323640564895
Energy: 0.4415996076304581
Energy: 0.46195323640508096
Energy: 0.4449071920048481
Energy: 0.46145459617011864
Energy: 0.43120584897363956
Energy: 0.4614545961695506
Energy: 0.4370606065075923
Energy: 0.4736036669319863
Energy: 0.4309741720322491
Energy: 0.47360366693482625
Energy: 0.4411789717629636
Energy: 0.434559250217313
Energy: 0.4596702451695031
Energy: 0.434559250219585
Energy: 0.6002987903123557
Energy: 0.4732060335197457
Energy: 0.43685465761355596
Energy: 0.4732060335163378
Energy: 0.458698532280955
Energy: 0.443016849864445
Energy: 0.44685364539198213
Energy: 0.44301684965893284
Energy: 0.5789410711425127
Energy: 0.47306381838180483
Energy: 0.43684161570129354
Energy: 0.47306381838464484
Energy: 0.44135007273902815
Energy: 0.47378004261509044
Energy: 0.4537826173860777
Energy: 0.47378004260827444
Energy: 0.523935548104542
Energy: 0.47286641901910437
Energy: 0.4323722702650301
Energy: 0.4728664190225124
Energy: 0.4417818036180977
Energy: 0.46307824057725283
Energy: 0.5901269746330382
Energy: 0.4630782405755488
Energy: 0.4361904691730697
Energy: 0.44534652746422615
Energy: 0.4427876824990446
Energy: 0.44534652746365816
Energy: 0.44168752987880194
Energy: 0.4460349025762929
Energy: 0.6491539370541896
Energy: 0.44603490257799694
Energy: 0.44139766273969416
Energy: 0.44614837584805417
Energy: 0.4428708522086518
Energy: 0.44614837584805417
Energy: 0.4417993324125955
Energy: 0.46522131972199854
Energy: 0.4741579964165744
Energy: 0.4652213197106385
Energy: 0.4356854211265586
Energy: 0.44487365991787287
Energy: 0.4323197897048885
Energy: 0.4448736599167369

minimum gb energy = 0.4309741720322491 eV
minimum distance =  2.59914712311656 Angstroms
sigma value = 37


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

Energy: 0.41424854204202033
Energy: 0.41452001243182773
Energy: 0.47312570709035795
Energy: 0.4145200124308505
Energy: 0.4602430571512216
Energy: 0.550897715976159
Energy: 0.40069848942054337
Energy: 0.550897715976159
Energy: 0.4028578093565407
Energy: 0.6777367205458791
Energy: 0.746001508649584
Energy: 0.6777367205458791
Energy: 0.3953493130879862
Energy: 0.552304208169542
Energy: 0.4007930822030669
Energy: 0.5523042081705192
Energy: 0.3997461748993028
Energy: 0.41414665804122974
Energy: 0.39512304598056636
Energy: 0.41414665804220696
Energy: 0.4083016087365778
Energy: 0.5508275631847559
Energy: 0.39698927564144376
Energy: 0.5508275631837787
Energy: 0.4123308836782035
Energy: 0.6910806694726587
Energy: 0.5192994319305458
Energy: 0.6910806694716815
Energy: 0.39986914201224194
Energy: 0.41458570275034445
Energy: 0.416013880196711
Energy: 0.41458570275034445
Energy: 0.3997923593309056
Energy: 0.5507135462285105
Energy: 0.5193364582775924
Energy: 0.5507135462294878
Energy: 0.5710542806007083
Energy: 0.5509050889174126
Energy: 0.3970056861169604
Energy: 0.5509050889174126
Energy: 0.41230378044572696
Energy: 0.686354671573918
Energy: 0.39526115469033146
Energy: 0.686354671573918
Energy: 0.5347950579931138
Energy: 0.4142871287558945
Energy: 0.40077186696863215
Energy: 0.4142871287549173
Energy: 0.3951690070149095
Energy: 0.5507803739676319
Energy: 0.39882542272826765
Energy: 0.5507803739676319
Energy: 0.5193163428066788
Energy: 0.6873892409725817
Energy: 0.40000061980450297
Energy: 0.6873892409725817
Energy: 0.4142978341691193
Energy: 0.4367748930341026
Energy: 0.3998242289960641
Energy: 0.4367748930341026
Energy: 0.4143453303711176
Energy: 0.5507157209108899
Energy: 0.400773760778612
Energy: 0.5507157209099127
Energy: 0.3951718963758429
Energy: 0.4545236553891287
Energy: 0.4083407476344913
Energy: 0.4545236553891287
Energy: 0.39518537719890856
Energy: 0.6872609248726471
Energy: 0.3998501629998136
Energy: 0.6872609248726471
Energy: 0.4007395884992036
Energy: 0.4143067776816828
Energy: 0.3997834611823068
Energy: 0.41430677768266
Energy: 0.39994025758340185
Energy: 0.5507731288097777
Energy: 0.39516284266498475
Energy: 0.5507731288097777

minimum gb energy = 0.39512304598056636 eV
minimum distance =  2.57246563508206 Angstroms
sigma value = 25


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

Energy: 0.44841674148258553
Energy: 0.6120671096202093
Energy: 0.518367240759332
Energy: 0.6120671096194462
Energy: 0.5920960365686369
Energy: 0.3878433051602379
Energy: 0.3760871743777551
Energy: 0.38784330515947474
Energy: 0.4232391455218129
Energy: 0.38014636735997065
Energy: 0.502823215489356
Energy: 0.3801463673576814
Energy: 0.5095151396373009
Energy: 0.39228997858599135
Energy: 0.3783263192540437
Energy: 0.3922899785867545
Energy: 0.3823397574808803
Energy: 0.3834198350628059
Energy: 0.42094025876482166
Energy: 0.3834198350574643
Energy: 0.4150412809237309
Energy: 0.3804753330223473
Energy: 0.38416772875082567
Energy: 0.38047533302387354
Energy: 0.37644039799135437
Energy: 0.37241495475144926
Energy: 0.5865540348804418
Energy: 0.3724149547537385
Energy: 0.3725899742805641
Energy: 0.554891113633207
Energy: 0.4241964352293983
Energy: 0.5548911136316806
Energy: 0.3759249877486454
Energy: 0.6099578614067145
Energy: 0.5939851078133945
Energy: 0.6099578614044253
Energy: 0.3669723923822895
Energy: 0.372670377621268
Energy: 0.39711402994261413
Energy: 0.3726703776243203
Energy: 0.3767101621146237
Energy: 0.37442142259744826
Energy: 0.5602549552723654
Energy: 0.3744214225989745
Energy: 0.5028241851868543
Energy: 0.4851249884112953
Energy: 0.4242048970197425
Energy: 0.48512498841053225
Energy: 0.379244971664841
Energy: 0.39307094541808346
Energy: 0.5095490624094166
Energy: 0.39307094542647736
Energy: 0.48171737687900257
Energy: 0.49766455443152713
Energy: 0.3839488636706495
Energy: 0.4976645544322903
Energy: 0.38351893074390575
Energy: 0.37353857331060875
Energy: 0.4146845361604547
Energy: 0.37353857331289797
Energy: 0.5270157932625932
Energy: 0.6234832497064766
Energy: 0.3755612380360332
Energy: 0.6234832497080028
Energy: 0.42685926933126317
Energy: 0.5107505431671017
Energy: 0.42924682822220905
Energy: 0.5107505431655754
Energy: 0.5266143527707933
Energy: 0.3842469299558329
Energy: 0.3767039108668877
Energy: 0.3842469299634638
Energy: 0.451591601585277
Energy: 0.3824597290016372
Energy: 0.36699009571914437
Energy: 0.38245972902220576
Energy: 0.6021791192848319
Energy: 0.5213248225519881
Energy: 0.375452720664543
Energy: 0.5213248225535142
Energy: 0.4268899740662969
Energy: 0.4839650223233101
Energy: 0.37238996633658794
Energy: 0.4839650223233101
Energy: 0.4237174341078141
Energy: 0.5060901680693961
Energy: 0.38159954455102646
Energy: 0.5060901680693961
Energy: 0.383510547455063
Energy: 0.49771013421054816
Energy: 0.4815190392891414
Energy: 0.497710134209022
Energy: 0.41482881056863125
Energy: 0.6192302606414763
Energy: 0.381884580501096
Energy: 0.6192302606407131
Energy: 0.3755848656646662
Energy: 0.5192306407814723
Energy: 0.5267575479638795
Energy: 0.5192306407807092
Energy: 0.36962546779013256
Energy: 0.5107099233314959
Energy: 0.42368139209803163
Energy: 0.5107099233284434

minimum gb energy = 0.3669723923822895 eV
minimum distance =  2.55064443476861 Angstroms
sigma value = 41


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

Energy: 0.5018478373500735
Energy: 0.3574559974285006
Energy: 0.6906081839272058
Energy: 0.357455997427875
Energy: 0.566598750436233
Energy: 0.3478863781120578
Energy: 0.3445041548370066
Energy: 0.34788637811268336
Energy: 0.3547229694333101
Energy: 0.34335435721325985
Energy: 0.6726931970743666
Energy: 0.34335435721200863
Energy: 0.49437550010370146
Energy: 0.3478991183408491
Energy: 0.34446400638009006
Energy: 0.34789911834210024
Energy: 0.3415459809800783
Energy: 0.43765694850902465
Energy: 0.3375312553266218
Energy: 0.43765694851027576
Energy: 0.41549696968959227
Energy: 0.34793814405353835
Energy: 0.3444321620047574
Energy: 0.34793814405166157
Energy: 0.34393384480180683
Energy: 0.3477617828031932
Energy: 0.3798665373062341
Energy: 0.34776178280256764
Energy: 0.3375103538284661
Energy: 0.35495498283710336
Energy: 0.34218372089953303
Energy: 0.35495498283710336
Energy: 0.3459528767252437
Energy: 0.47181249900974404
Energy: 0.5016655284198224
Energy: 0.4718124990091185
Energy: 0.4155473039073154
Energy: 0.3432378193205129
Energy: 0.3553176647786526
Energy: 0.3432378193211385
Energy: 0.3439190179082131
Energy: 0.3478385464893838
Energy: 0.5673535431548483
Energy: 0.34783854648813256
Energy: 0.33977826569036945
Energy: 0.3567479310361186
Energy: 0.5023264948870617
Energy: 0.356747931038621
Energy: 0.3462564829794567
Energy: 0.4712295423543105
Energy: 0.5669609581742924
Energy: 0.47122954235180803
Energy: 0.45193182073444227
Energy: 0.46973201929425373
Energy: 0.35542975710680474
Energy: 0.4697320192967561
Energy: 0.3439657309738431
Energy: 0.34791689862949177
Energy: 0.5005320381563326
Energy: 0.3479168986288661
Energy: 0.43641148601799956
Energy: 0.42860267450397604
Energy: 0.34218713664808753
Energy: 0.4286026745058529
Energy: 0.34616547730052455
Energy: 0.4702757297375953
Energy: 0.41565552853736965
Energy: 0.4702757297375953
Energy: 0.4326529488600222
Energy: 0.47004158736516016
Energy: 0.3444663702880832
Energy: 0.470041587363909
Energy: 0.34396744869666135
Energy: 0.354856006031806
Energy: 0.33737315234406007
Energy: 0.35485600603368284
Energy: 0.4286475236366106
Energy: 0.4716693322724965
Energy: 0.34845919290336397
Energy: 0.47166933227187097
Energy: 0.3571757440133061
Energy: 0.469331924225197
Energy: 0.3392193632615759
Energy: 0.469331924225197
Energy: 0.5669430008882568
Energy: 0.5786311346113064
Energy: 0.34467006310117765
Energy: 0.5786311346113064
Energy: 0.5036624784658611
Energy: 0.35522800266223686
Energy: 0.33964638807177056
Energy: 0.35522800266223686
Energy: 0.5026728917217598
Energy: 0.4691770109952184
Energy: 0.3482349484291767
Energy: 0.469177010995844
Energy: 0.3572186756838134
Energy: 0.5579597685689093
Energy: 0.3431904475552489
Energy: 0.5579597685676579
Energy: 0.4964954858291051
Energy: 0.5785236053418232
Energy: 0.344476924867602
Energy: 0.5785236053418232
Energy: 0.3439803335098322
Energy: 0.4279894917713616
Energy: 0.43629413572263354
Energy: 0.42798949177198714
Energy: 0.34211034435393767
Energy: 0.5587468828403741
Energy: 0.3483116473636448
Energy: 0.5587468828397484
Energy: 0.34599763803915434
Energy: 0.5581346277657926
Energy: 0.4327071398881204
Energy: 0.5581346277651669
Energy: 0.3373845714513647
Energy: 0.5783707738390824
Energy: 0.34673875967053563
Energy: 0.5783707738384569
Energy: 0.34393338575497806
Energy: 0.46908401916296344
Energy: 0.4286774493736556
Energy: 0.46908401916296344
Energy: 0.3394269428912822
Energy: 0.4693281666768319
Energy: 0.3598395476834684
Energy: 0.46932816667558075

minimum gb energy = 0.33737315234406007 eV
minimum distance =  2.60041066475931 Angstroms
sigma value = 15


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

Energy: 0.45944096668116585
Energy: 0.5260777924301353
Energy: 0.6439909762629934
Energy: 0.5260777924306652
Energy: 0.5716205888707536
Energy: 0.4301346753027889
Energy: 0.327723518018839
Energy: 0.430134675301199
Energy: 0.3390338597056609
Energy: 0.3267969122792247
Energy: 0.6450325261439133
Energy: 0.3267969122776348
Energy: 0.5098624716363294
Energy: 0.4294881080437275
Energy: 0.3276491777177227
Energy: 0.4294881080458474
Energy: 0.3257664537870721
Energy: 0.52512448741954
Energy: 0.32214783226108623
Energy: 0.5251244874200699
Energy: 0.4469832462198618
Energy: 0.4284185639885498
Energy: 0.32762270010645583
Energy: 0.4284185639864299
Energy: 0.3272686353065966
Energy: 0.33376818964880767
Energy: 0.35101120312628903
Energy: 0.33376818964986765
Energy: 0.38240504942763565
Energy: 0.33223610024514455
Energy: 0.3276405016903085
Energy: 0.3322361002456745
Energy: 0.3287699593711368
Energy: 0.5303255895719579
Energy: 0.459202806135079
Energy: 0.5303255895730178
Energy: 0.3159079397091688
Energy: 0.4286908737550211
Energy: 0.3261881615989582
Energy: 0.42869087375555104
Energy: 0.32725799379803316
Energy: 0.4301372933470206
Energy: 0.5192709536132295
Energy: 0.4301372933464906
Energy: 0.37994211995146304
Energy: 0.32686883437698444
Energy: 0.3393941764733291
Energy: 0.3268688343775144
Energy: 0.32864335724907523
Energy: 0.5302860157694363
Energy: 0.5640958313435973
Energy: 0.5302860157694363
Energy: 0.317323027776931
Energy: 0.5253773199425599
Energy: 0.4597322405099116
Energy: 0.5253773199409699
Energy: 0.32725880634345245
Energy: 0.4294509283770003
Energy: 0.5700054431375076
Energy: 0.4294509283764703
Energy: 0.41203276719957327
Energy: 0.3267825942746993
Energy: 0.33939202150398784
Energy: 0.32678259427363937
Energy: 0.3287617396135684
Energy: 0.5303763410347864
Energy: 0.5093987988478567
Energy: 0.5303763410337264
Energy: 0.4015667472869103
Energy: 0.5233927282824994
Energy: 0.32614074773196816
Energy: 0.5233927282824994
Energy: 0.3272978028856309
Energy: 0.42890959017643304
Energy: 0.449880120580365
Energy: 0.42890959017908287
Energy: 0.39856350455913486
Energy: 0.38957698211047626
Energy: 0.3276273183550822
Energy: 0.38957698210469477
Energy: 0.3286616271770978
Energy: 0.5212889219347094
Energy: 0.3826193979920373
Energy: 0.5212889219362993
Energy: 0.39415161995702563
Energy: 0.5279261078143579
Energy: 0.3304229584718239
Energy: 0.5279261078148878
Energy: 0.3273077220170129
Energy: 0.42903907823582965
Energy: 0.3157207052230207
Energy: 0.42903907823582965
Energy: 0.5201137303363794
Energy: 0.4297633456121156
Energy: 0.32767138164555937
Energy: 0.42976334561370555
Energy: 0.34040360076344606
Energy: 0.521720699329812
Energy: 0.3180622131492489
Energy: 0.521720699329812
Energy: 0.5167083719497094
Energy: 0.5286003633056522
Energy: 0.33056222119252376
Energy: 0.5286003633051223
Energy: 0.4607341794298391
Energy: 0.5225827818961477
Energy: 0.31732458229715826
Energy: 0.5225827818956179
Energy: 0.5775442961661436
Energy: 0.42959603584879724
Energy: 0.3277232971473872
Energy: 0.4295960358498572
Energy: 0.34052269116246453
Energy: 0.5419025469819171
Energy: 0.31989017034124134
Energy: 0.5419025469824471
Energy: 0.45064745317540145
Energy: 0.5286386061615855
Energy: 0.330498534286251
Energy: 0.5286386061621156
Energy: 0.3273120749995632
Energy: 0.5285102778658005
Energy: 0.4017519883138213
Energy: 0.5285102778663304
Energy: 0.446448411279818
Energy: 0.508456877358309
Energy: 0.32767567679505943
Energy: 0.5084568773572491
Energy: 0.3287781949991286
Energy: 0.5422013473397993
Energy: 0.3985661544051122
Energy: 0.5422013473403292
Energy: 0.3182515417107091
Energy: 0.5203777098127401
Energy: 0.3305310046779916
Energy: 0.5203777098122101
Energy: 0.32551347369083766
Energy: 0.5286811485702264
Energy: 0.3939764704704451
Energy: 0.5286811485691665
Energy: 0.3155956496041902
Energy: 0.5082557366654812
Energy: 0.3292003326856573
Energy: 0.5082557366665411
Energy: 0.3287768273496054
Energy: 0.542082560150892
Energy: 0.5203835470072429
Energy: 0.542082560149832

minimum gb energy = 0.3155956496041902 eV
minimum distance =  2.57522197800919 Angstroms
sigma value = 85


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

Energy: 0.4340255024782988
Energy: 0.4928270667475856
Energy: 0.4123527413572888
Energy: 0.4928270667471259
Energy: 0.6175497533155199
Energy: 0.4080880542259667
Energy: 0.3014488063396545
Energy: 0.4080880542227492
Energy: 0.41486142478572546
Energy: 0.31844615197888454
Energy: 0.4164848172316804
Energy: 0.3184461519807232
Energy: 0.508377883906771
Energy: 0.40811417049730025
Energy: 0.30145530038511986
Energy: 0.4081141704986792
Energy: 0.3168895491762217
Energy: 0.30103013161187775
Energy: 0.28561201502287303
Energy: 0.30103013161187775
Energy: 0.4554979493329056
Energy: 0.40820302620902627
Energy: 0.3014089569695432
Energy: 0.40820302620948595
Energy: 0.2995198868244784
Energy: 0.3758215136567919
Energy: 0.3455657551555417
Energy: 0.3758215136567919
Energy: 0.39769385051653694
Energy: 0.4068091077360348
Energy: 0.30142623860215767
Energy: 0.40680910773465584
Energy: 0.30101187810109453
Energy: 0.30782178099214014
Energy: 0.4112620514425252
Energy: 0.30782178103762425
Energy: 0.34304197238340306
Energy: 0.3761222130212723
Energy: 0.3000113991190091
Energy: 0.3761222130221915
Energy: 0.30250591530026605
Energy: 0.407900245153496
Energy: 0.4628917790317312
Energy: 0.40790024515303636
Energy: 0.28569237164500383
Energy: 0.4074878491594874
Energy: 0.3173183325065377
Energy: 0.4074878491594874
Energy: 0.30110751641198835
Energy: 0.30794514773096787
Energy: 0.515707726346386
Energy: 0.30794514773142756
Energy: 0.34055785953657913
Energy: 0.3183170831652458
Energy: 0.4152830621576994
Energy: 0.31831708316662477
Energy: 0.3024081699439745
Energy: 0.40805246933551625
Energy: 0.5571439848657191
Energy: 0.40805246933689515
Energy: 0.28709995216723955
Energy: 0.49252124655893126
Energy: 0.43434933980198953
Energy: 0.49252124655893126
Energy: 0.3011117997944833
Energy: 0.30803343654781784
Energy: 0.5572059417719568
Energy: 0.30803343654873716
Energy: 0.37010160814341286
Energy: 0.31815055198675374
Energy: 0.4152946151473334
Energy: 0.31815055198719255
Energy: 0.30228947648147314
Energy: 0.40803205155809724
Energy: 0.5081767143510982
Energy: 0.40803205155855693
Energy: 0.3607682786775056
Energy: 0.4992939238909324
Energy: 0.31729500092360846
Energy: 0.4992939238909324
Energy: 0.30107498376024716
Energy: 0.3080171877687304
Energy: 0.45503923949764036
Energy: 0.30801718776827075
Energy: 0.3588152963943539
Energy: 0.36552036785987513
Energy: 0.2999720439802335
Energy: 0.3655203678594155
Energy: 0.30246710030857976
Energy: 0.40660870666937265
Energy: 0.39839701293472757
Energy: 0.4066087066698323
Energy: 0.3571062470812828
Energy: 0.5015377930566781
Energy: 0.3014117181726473
Energy: 0.5015377930566781
Energy: 0.3011592833580595
Energy: 0.3179920725521287
Energy: 0.34314811543494367
Energy: 0.3179920725525883
Energy: 0.46321069450930463
Energy: 0.408188445509861
Energy: 0.3018403684613334
Energy: 0.40818844550940137
Energy: 0.3183113976487588
Energy: 0.4065383521855137
Energy: 0.28557249542855895
Energy: 0.4065383521859734
Energy: 0.46668028780608933
Energy: 0.5005552044614362
Energy: 0.3014063893364212
Energy: 0.5005552044614362
Energy: 0.41621661693940853
Energy: 0.36641289594493
Energy: 0.2869887898839164
Energy: 0.36641289594447035
Energy: 0.5582192626131826
Energy: 0.4080484716090082
Energy: 0.30175202001116724
Energy: 0.40804847160854857
Energy: 0.43542158390670105
Energy: 0.48725658437228625
Energy: 0.2869835520029857
Energy: 0.4872565843727459
Energy: 0.517916150530575
Energy: 0.498122284588464
Energy: 0.3015813205928439
Energy: 0.498122284588464
Energy: 0.4163041485474727
Energy: 0.3170469790634627
Energy: 0.2886756601536241
Energy: 0.3170469790625434
Energy: 0.5079288631273775
Energy: 0.40803482751113
Energy: 0.3019248429413039
Energy: 0.40803482751250897
Energy: 0.31836186992209936
Energy: 0.49331798092901563
Energy: 0.3606227093632349
Energy: 0.493317980928556
Energy: 0.4039024512133981
Energy: 0.4980854216056489
Energy: 0.3014293144166757
Energy: 0.4980854216051893
Energy: 0.3010700404724179
Energy: 0.3652777228743353
Energy: 0.358748688324314
Energy: 0.36527772286835986
Energy: 0.3982822644928748
Energy: 0.40663906010238865
Energy: 0.3020125115748164
Energy: 0.40663906010330797
Energy: 0.30244622477540184
Energy: 0.4931973181816858
Energy: 0.35722230942995914
Energy: 0.4931973181816858
Energy: 0.2892824064653236
Energy: 0.43096471141684384
Energy: 0.3029261530412944
Energy: 0.4309647114177631
Energy: 0.3012154185883776
Energy: 0.40675806586348834
Energy: 0.46373557661467746
Energy: 0.40675806586302876
Energy: 0.2855580867266855
Energy: 0.4064211757428512
Energy: 0.31708131610294094
Energy: 0.4064211757428512
Energy: 0.30225472467901415
Energy: 0.49311949922784554
Energy: 0.4671574174780822
Energy: 0.49311949922784554

minimum gb energy = 0.2855580867266855 eV
minimum distance =  2.5919387885368 Angstroms
sigma value = 113


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

Energy: 0.011705455804449162
Energy: 0.013304032419554747
Energy: 0.587331501079583
Energy: 0.013304032418867674
Energy: 0.587319918490771
Energy: 0.19919446656174414
Energy: 0.20024342874986886
Energy: 0.19919446656347164
Energy: 0.011705455804449162
Energy: 0.013304032419554747
Energy: 0.5873315590121876
Energy: 0.013304032419221026
Energy: 0.5873199184911243
Energy: 0.19919446656209752
Energy: 0.20024342874953516
Energy: 0.19919446656347164
Energy: 0.011705455804449162
Energy: 0.013304032419554747
Energy: 0.5873132527059257
Energy: 0.013304032419221026
Energy: 0.587319918491458
Energy: 0.19919446656209752
Energy: 0.20024342875022222
Energy: 0.19919446656313794

minimum gb energy = 0.011705455804449162 eV
minimum distance =  2.83998774407707 Angstroms
sigma value = 1