Model name: model_name=EAM_ErcolessiAdams_1994_Al__MO_324507536345_003
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=4.032082714140415
cohesive_energy=3.360264268222285
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010444204479035324
Energy: 0.010953100607633671
Energy: 0.4592285525774295
Energy: 0.01095310060813784
Energy: 0.010953100607633671
Energy: 0.413143754986182
Energy: 0.010953100607633671
Energy: 0.413143754986182
Energy: 0.45922855257793366
Energy: 0.010953100607633671
Energy: 0.010444204479035324
Energy: 0.010953100607633671
Energy: 0.01095310060813784
Energy: 0.413143754986182
Energy: 0.010953100607633671
Energy: 0.413143754986182

minimum gb energy = 0.010444204479035324 eV
minimum distance =  2.7887406907512 Angstroms
sigma value = 1


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

Energy: 0.522517026621403
Energy: 0.5243071536621623
Energy: 0.5345742402963987
Energy: 0.5243071536627738
Energy: 0.5060711915583177
Energy: 0.5264739472075654
Energy: 0.5083903951428951
Energy: 0.5264739472081769
Energy: 0.4867990272379263
Energy: 0.513593348188357
Energy: 0.5153072176542515
Energy: 0.5135933481889684
Energy: 0.5036077741911885
Energy: 0.5384790134316446
Energy: 0.4940817268058158
Energy: 0.5384790134316446
Energy: 0.5035117956791958
Energy: 0.5286938943843896
Energy: 0.5148106031954967
Energy: 0.5286938943843896
Energy: 0.49236591510323563
Energy: 0.5863260168554191
Energy: 0.48386416501147056
Energy: 0.5863260168554191
Energy: 0.5263981444023471
Energy: 0.5137716987721238
Energy: 0.4923904547214291
Energy: 0.513771698770901
Energy: 0.4785722601047919
Energy: 0.5280859958647158
Energy: 0.47944239269191125
Energy: 0.5280859958653273
Energy: 0.493758663332431
Energy: 0.5981005617414408
Energy: 0.5567054318219278
Energy: 0.5981005617414408
Energy: 0.4857895172710754
Energy: 0.5129253722381624
Energy: 0.4712180569520391
Energy: 0.5129253722381624
Energy: 0.5054879729184367
Energy: 0.5229208690920278
Energy: 0.49367200510322184
Energy: 0.5229208690926116
Energy: 0.5197059513890753
Energy: 0.5284825762326885
Energy: 0.4979993534545899
Energy: 0.5284825762326885
Energy: 0.518505311769486
Energy: 0.5116965888050444
Energy: 0.5265114580718536
Energy: 0.5116965888050444
Energy: 0.514537294280871
Energy: 0.522708291876489
Energy: 0.49303941545652613
Energy: 0.5227082918771004
Energy: 0.49499619351530366
Energy: 0.5247548413427964
Energy: 0.49507853954800735
Energy: 0.5247548413427964
Energy: 0.4992185747493665
Energy: 0.5248770192758377
Energy: 0.5097732550544625
Energy: 0.5248770192758377
Energy: 0.5153747774039934
Energy: 0.5135493230364959
Energy: 0.47811222510547513
Energy: 0.5135493230371074
Energy: 0.508487889897583
Energy: 0.5149431695843255
Energy: 0.5211921844595121
Energy: 0.5149431695855207
Energy: 0.5143981220294824
Energy: 0.5269267462884635
Energy: 0.5033140451092177
Energy: 0.526926746287852
Energy: 0.5694930485257819
Energy: 0.5874180611700044
Energy: 0.4946928332591818
Energy: 0.5874180611730616
Energy: 0.48344362354732157
Energy: 0.5134862747185066
Energy: 0.47289181939313857
Energy: 0.513486274719118
Energy: 0.493925550217331
Energy: 0.5816143829215092
Energy: 0.5633544712704942
Energy: 0.5816143829202863
Energy: 0.5620448861444011
Energy: 0.5289044289617445
Energy: 0.48277497652303103
Energy: 0.528904428962356
Energy: 0.5353487160649051
Energy: 0.513631526587076
Energy: 0.4923050084227978
Energy: 0.513631526587076
Energy: 0.4924792319417038
Energy: 0.5858672265319592
Energy: 0.5725036929184608
Energy: 0.5858672265325706
Energy: 0.5038297653307152
Energy: 0.5287134785575048
Energy: 0.4933846565680535
Energy: 0.5287134785581163
Energy: 0.5010910864702093
Energy: 0.5959985731135682
Energy: 0.4935792626377409
Energy: 0.5959985731141797
Energy: 0.4881477802475792
Energy: 0.5116463794940372
Energy: 0.516841776700229
Energy: 0.5116463794940372
Energy: 0.5054660200488619
Energy: 0.5155314292463128
Energy: 0.4941014039563543
Energy: 0.5155314292463128
Energy: 0.5341835268222896
Energy: 0.52500730452207
Energy: 0.5181340332174583
Energy: 0.52500730452207
Energy: 0.5023968290916616
Energy: 0.5197552238133901
Energy: 0.5076229879365306
Energy: 0.5197552238133901
Energy: 0.4945298771246931
Energy: 0.5159183685118515
Energy: 0.514182853150266
Energy: 0.5159183685112401
Energy: 0.5035709862632407
Energy: 0.5388448637528364
Energy: 0.49609264880250065
Energy: 0.5388448637540593

minimum gb energy = 0.4712180569520391 eV
minimum distance =  2.59885844728584 Angstroms
sigma value = 1


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

Energy: 0.5960270744520298
Energy: 0.5713667825955698
Energy: 0.5818865327186893
Energy: 0.5713667825976614
Energy: 0.522388650136508
Energy: 0.5540667715714654
Energy: 0.5236279487278512
Energy: 0.5540667715707683
Energy: 0.503302468178215
Energy: 0.5634951702786026
Energy: 0.5244545403680055
Energy: 0.5634951702786026
Energy: 0.5127652523441304
Energy: 0.525139907725058
Energy: 0.5102084615058771
Energy: 0.5251399077229665
Energy: 0.521929122505086
Energy: 0.5428733537238771
Energy: 0.5556710723438011
Energy: 0.5428733537252716
Energy: 0.5502114087960249
Energy: 0.5435530624629861
Energy: 0.5024065874866073
Energy: 0.5435530624636833
Energy: 0.5629199505004052
Energy: 0.56323967461771
Energy: 0.512644432842414
Energy: 0.5632396746184071
Energy: 0.48787735054134673
Energy: 0.5640137361499369
Energy: 0.5023900162986169
Energy: 0.5640137361513311
Energy: 0.5041183162766179
Energy: 0.518641035547722
Energy: 0.5286844236286986
Energy: 0.5186410355505107
Energy: 0.5182864012643165
Energy: 0.5637330534731513
Energy: 0.5092104659487898
Energy: 0.5637330534710597
Energy: 0.5424038685945997
Energy: 0.5404316038383821
Energy: 0.5234521807597363
Energy: 0.5404316038376848
Energy: 0.5233707832450454
Energy: 0.5507138120547683
Energy: 0.5124329696079668
Energy: 0.5507138120540711
Energy: 0.5171542726582484
Energy: 0.5418711862926056
Energy: 0.5168494379734438
Energy: 0.5418711862939998
Energy: 0.5173492477739166
Energy: 0.5456583788845705
Energy: 0.51717898773222
Energy: 0.545658378887359
Energy: 0.500170321273715
Energy: 0.560434348693319
Energy: 0.5440794975458244
Energy: 0.5604343486919247
Energy: 0.515797808565389
Energy: 0.5390954766549486
Energy: 0.5211200712538777
Energy: 0.5390954766549486
Energy: 0.5182626501620561
Energy: 0.5634868238450718
Energy: 0.48483284143667926
Energy: 0.5634868238394944
Energy: 0.50819403405001
Energy: 0.5801265125628947
Energy: 0.5213692479875194
Energy: 0.5801265125608032
Energy: 0.48691150598191135
Energy: 0.5635483894766137
Energy: 0.5090798655297782
Energy: 0.5635483894794022
Energy: 0.5357152309657522
Energy: 0.5890315721418865
Energy: 0.5068005695199569
Energy: 0.5890315721390978
Energy: 0.5290933884798895
Energy: 0.5442709789440127
Energy: 0.5116551419216238
Energy: 0.5442709789447098
Energy: 0.5122774521095367
Energy: 0.5443304203614948
Energy: 0.566423104004478
Energy: 0.5443304203621919
Energy: 0.521691008268806
Energy: 0.5110985081737534
Energy: 0.4994007047896471
Energy: 0.5110985081765419
Energy: 0.4955148431048655
Energy: 0.563660517417394
Energy: 0.544276564654752
Energy: 0.5636605174180911
Energy: 0.5190012678187937
Energy: 0.5572025743275598
Energy: 0.5212056537553802
Energy: 0.5572025743275598
Energy: 0.5960270744513327
Energy: 0.5713667825948727
Energy: 0.5818865327165977
Energy: 0.5713667825983585
Energy: 0.5223886501351455
Energy: 0.5540667715707683
Energy: 0.5236279487278512
Energy: 0.5540667715714654
Energy: 0.503302468177518
Energy: 0.5634951702779053
Energy: 0.5244545403680055
Energy: 0.5634951702792996
Energy: 0.5127652523434332
Energy: 0.5251399077222694
Energy: 0.5053111494407927
Energy: 0.5251399077215723

minimum gb energy = 0.48483284143667926 eV
minimum distance =  2.52095501682339 Angstroms
sigma value = 25


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

Energy: 0.571652135373709
Energy: 0.5758120167860789
Energy: 0.5511420249183042
Energy: 0.5758120167860789
Energy: 0.5393785017085563
Energy: 0.5549831450958002
Energy: 0.5293580299496663
Energy: 0.5549831450966105
Energy: 0.5173605836954656
Energy: 0.6085767132286516
Energy: 0.5286159589809006
Energy: 0.6085767132286516
Energy: 0.51837815410433
Energy: 0.5779426641401686
Energy: 0.5207011185987881
Energy: 0.5779426641401686
Energy: 0.5226935598330754
Energy: 0.578739771414902
Energy: 0.579673001782629
Energy: 0.578739771414902
Energy: 0.5771059054244019
Energy: 0.6091073914881011
Energy: 0.6020540131863359
Energy: 0.6091073914889115
Energy: 0.543161634509951
Energy: 0.5318310699264899
Energy: 0.5440757653866634
Energy: 0.5318310699256794
Energy: 0.612798685758423
Energy: 0.5778853764877385
Energy: 0.5147042793185367
Energy: 0.5778853764869282
Energy: 0.5442381181395692
Energy: 0.5538005879592157
Energy: 0.543594287741141
Energy: 0.5538005879592157
Energy: 0.5352778675419535
Energy: 0.6094466886057612
Energy: 0.5107419942154705
Energy: 0.6094466886057612
Energy: 0.5310961402353799
Energy: 0.5757296611905137
Energy: 0.5273741749028282
Energy: 0.5757296611905137
Energy: 0.5351020681203089
Energy: 0.5760155977623073
Energy: 0.5283496273078193
Energy: 0.5760155977623073
Energy: 0.5285486009498929
Energy: 0.5726964465651193
Energy: 0.5101929703933813
Energy: 0.572696446564309
Energy: 0.5447073182302016
Energy: 0.5290951546407539
Energy: 0.5432023938560603
Energy: 0.5290951546391329
Energy: 0.5015796298024944
Energy: 0.5787012355553188
Energy: 0.5135922812241749
Energy: 0.5787012355553188
Energy: 0.5426037723148142
Energy: 0.5294389953199703
Energy: 0.5224063486173476
Energy: 0.5294389953199703
Energy: 0.4993637906192864
Energy: 0.6085491517461067
Energy: 0.49356997473558123
Energy: 0.6085491517461067
Energy: 0.5207310749823342
Energy: 0.5623284759250303
Energy: 0.5273956405248892
Energy: 0.5623284759250303
Energy: 0.5128103742432096
Energy: 0.5763979224685262
Energy: 0.5227955342556816
Energy: 0.5763979224685262
Energy: 0.5430721338188038
Energy: 0.6096779214794933
Energy: 0.5282340048894328
Energy: 0.6096779214786828
Energy: 0.535438579890196
Energy: 0.5519826431510675
Energy: 0.5298541985172901
Energy: 0.5519826431510675
Energy: 0.5557448160588441
Energy: 0.5764682064322353
Energy: 0.566405393643073
Energy: 0.5764682064322353
Energy: 0.5387850363040463
Energy: 0.5658132827026384
Energy: 0.5280063826411571
Energy: 0.5658132827026384
Energy: 0.5161123218049701
Energy: 0.6077561646859857
Energy: 0.5352517599730573
Energy: 0.6077561646867963
Energy: 0.5277334075040023
Energy: 0.5383213167853319
Energy: 0.5202610348534172
Energy: 0.5383213167853319

minimum gb energy = 0.49356997473558123 eV
minimum distance =  2.53694103220512 Angstroms
sigma value = 9


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

Energy: 0.6068232789604204
Energy: 0.6168349687240698
Energy: 0.6404876079530476
Energy: 0.6168349687240698
Energy: 0.5761613743446048
Energy: 0.5962762849219807
Energy: 0.5565833359170612
Energy: 0.5962762849200471
Energy: 0.5314280996450793
Energy: 0.5680741057804566
Energy: 0.5794212284532348
Energy: 0.5680741057794899
Energy: 0.6028767445723804
Energy: 0.624108113187879
Energy: 0.5471186640103444
Energy: 0.6241081131888457
Energy: 0.5884216489486112
Energy: 0.584646336483116
Energy: 0.5669427039685192
Energy: 0.584646336483116
Energy: 0.523186295369365
Energy: 0.5685587331344651
Energy: 0.5491572639768953
Energy: 0.5685587331344651
Energy: 0.5804566279646752
Energy: 0.534664658385893
Energy: 0.5346026299660263
Energy: 0.5346646583878266
Energy: 0.5376863811858258
Energy: 0.568424736105261
Energy: 0.5566452929080735
Energy: 0.5684247361033273
Energy: 0.5642844504684411
Energy: 0.5849189800790998
Energy: 0.6007540661047646
Energy: 0.584918980078133
Energy: 0.5632057625261129
Energy: 0.6165726587816601
Energy: 0.5622016768479436
Energy: 0.6165726587835937
Energy: 0.5315482278385973
Energy: 0.5998037789253795
Energy: 0.5643106306823323
Energy: 0.5998037789273132
Energy: 0.5771223741144689
Energy: 0.5921414237969673
Energy: 0.5470065975773573
Energy: 0.5921414237950338
Energy: 0.5172124407914543
Energy: 0.5673879859583563
Energy: 0.5069572225067026
Energy: 0.567387985959323
Energy: 0.577004708511864
Energy: 0.5607273408342566
Energy: 0.559301012058887
Energy: 0.5607273408342566
Energy: 0.5172643939141309
Energy: 0.5683351632637573
Energy: 0.5414053882273664
Energy: 0.5683351632627904
Energy: 0.6207289772063763
Energy: 0.5689495484982059
Energy: 0.5348744303485367
Energy: 0.5689495484991727
Energy: 0.5706998659754839
Energy: 0.5827233662658384
Energy: 0.5793053579158334
Energy: 0.5827233662668051
Energy: 0.5806737876228254
Energy: 0.6163406247656872
Energy: 0.5625466129274213
Energy: 0.6163406247656872
Energy: 0.5916265480158277
Energy: 0.5871823173922612
Energy: 0.5711047558401727
Energy: 0.5871823173903279
Energy: 0.5653982239601973
Energy: 0.5682580013142912
Energy: 0.5567651285017176
Energy: 0.5682580013152579
Energy: 0.5771813993597048
Energy: 0.5471053924641052
Energy: 0.5472915002977173
Energy: 0.5471053924631383

minimum gb energy = 0.5069572225067026 eV
minimum distance =  2.57292531282234 Angstroms
sigma value = 25


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

Energy: 0.5871821461796669
Energy: 0.5903136854326605
Energy: 0.6334348209038493
Energy: 0.590313685412335
Energy: 0.5508333507634681
Energy: 0.6096899436525615
Energy: 0.5542170777474238
Energy: 0.6096899436537571
Energy: 0.5605025776450762
Energy: 0.6497266209347922
Energy: 0.5362277446598815
Energy: 0.6497266209335967
Energy: 0.5712376797512012
Energy: 0.6252447724213904
Energy: 0.6240060435845557
Energy: 0.6252447724201948
Energy: 0.5773380893081073
Energy: 0.547873979615838
Energy: 0.5578789992756679
Energy: 0.5478739796170337
Energy: 0.5366491910439557
Energy: 0.6668367992939195
Energy: 0.5364945030836824
Energy: 0.6668367992951151
Energy: 0.5489098778650943
Energy: 0.5600653613419447
Energy: 0.56033128138742
Energy: 0.5600653613431404
Energy: 0.643407386158475
Energy: 0.6408120809105077
Energy: 0.5500762537336507
Energy: 0.6408120809105077
Energy: 0.551904761394599
Energy: 0.5963120578423664
Energy: 0.549690456929904
Energy: 0.5963120578411709
Energy: 0.6149755475416707
Energy: 0.5906854532972271
Energy: 0.5599484019304528
Energy: 0.590685453294836
Energy: 0.5233143819191665
Energy: 0.6279831090089223
Energy: 0.653085953720121
Energy: 0.6279831090077267
Energy: 0.5396357658982438
Energy: 0.5811117896695616
Energy: 0.6347863686456295
Energy: 0.5811117896695616
Energy: 0.5527947970856558
Energy: 0.6685654795643738
Energy: 0.5350032580008617
Energy: 0.668565479560787
Energy: 0.5958464461114966
Energy: 0.6197981841341651
Energy: 0.5954643456421627
Energy: 0.6197981841353606
Energy: 0.5750888186448362
Energy: 0.5919260425943228
Energy: 0.6474832085739649
Energy: 0.5919260425979096
Energy: 0.5508437863827641
Energy: 0.6524254136891339
Energy: 0.5368369932840624
Energy: 0.6524254136879382
Energy: 0.5616419439901373
Energy: 0.5666832615827025
Energy: 0.6190439371243323
Energy: 0.5666832615815068

minimum gb energy = 0.5233143819191665 eV
minimum distance =  2.61405776510543 Angstroms
sigma value = 17


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

Energy: 0.5815137332391223
Energy: 0.5823132632763686
Energy: 0.6929154216518427
Energy: 0.5823132632763686
Energy: 0.5886345294687306
Energy: 0.5820511697953047
Energy: 0.5172421562728287
Energy: 0.5820511697959819
Energy: 0.6277857978647503
Energy: 0.5787741316480967
Energy: 0.5176245015424563
Energy: 0.5787741316474196
Energy: 0.562923870145548
Energy: 0.5806306925769813
Energy: 0.5726433294577468
Energy: 0.5806306925769813
Energy: 0.6349882792523462
Energy: 0.5562704062123376
Energy: 0.5560700518764011
Energy: 0.5562704062130146
Energy: 0.5330111803043811
Energy: 0.588954586892474
Energy: 0.5785873903894599
Energy: 0.588954586892474
Energy: 0.5571015410774721
Energy: 0.5816225099309243
Energy: 0.5546010848210986
Energy: 0.5816225099302471
Energy: 0.6205208487806331
Energy: 0.5889800581600442
Energy: 0.5422502014687346
Energy: 0.5889800581600442
Energy: 0.5789604840276016
Energy: 0.6020153434410646
Energy: 0.6265220346428332
Energy: 0.6020153434410646
Energy: 0.6604487879499821
Energy: 0.5853065567988673
Energy: 0.56479373308727
Energy: 0.5853065567988673
Energy: 0.5184004267373188
Energy: 0.5840933025423244
Energy: 0.6149615493281273
Energy: 0.5840933025423244
Energy: 0.569594298594995
Energy: 0.5808837489906591
Energy: 0.5705337437584103
Energy: 0.5808837489913363
Energy: 0.6248659852139271
Energy: 0.5821942312219828
Energy: 0.5840548514101785
Energy: 0.5821942312206286
Energy: 0.5186563966870364
Energy: 0.5916916822311487
Energy: 0.5990903926821125
Energy: 0.5916916822311487
Energy: 0.5859570390663674
Energy: 0.5859930452676204
Energy: 0.5713173644308907
Energy: 0.5859930452682975
Energy: 0.5838266596566944
Energy: 0.588927349915204
Energy: 0.5925556724564457
Energy: 0.5889273499124956
Energy: 0.5544875235486642
Energy: 0.5997374980147263
Energy: 0.666285103040379
Energy: 0.5997374980147263
Energy: 0.6467327395889558
Energy: 0.5699795267137712
Energy: 0.5331106678884785
Energy: 0.5699795267130942
Energy: 0.5501204723701625
Energy: 0.6028745228083622
Energy: 0.551356162793785
Energy: 0.6028745228083622
Energy: 0.5551962038154468
Energy: 0.5803522090529056
Energy: 0.5720289703940393
Energy: 0.5803522090522285
Energy: 0.5540715368956451
Energy: 0.5686646893750177
Energy: 0.5975651733825106
Energy: 0.5686646893736633
Energy: 0.5673192412493784
Energy: 0.6223166529235876
Energy: 0.6694057545189966
Energy: 0.6223166529222333
Energy: 0.6068484132663993
Energy: 0.5814289878681089
Energy: 0.5159477017571467
Energy: 0.5814289878674318
Energy: 0.5730217237438293
Energy: 0.6048167768372512
Energy: 0.6252149889396432
Energy: 0.6048167768372512
Energy: 0.573869770565973
Energy: 0.5766317272679475
Energy: 0.6265934619568331
Energy: 0.5766317272686248
Energy: 0.6555139129833084
Energy: 0.5807057191528654
Energy: 0.5167023181141704
Energy: 0.5807057191535426
Energy: 0.5547359712093142
Energy: 0.6018449500646861
Energy: 0.7021250274601951
Energy: 0.6018449500646861
Energy: 0.5797459421896718
Energy: 0.5903336230026873
Energy: 0.5987270076957225
Energy: 0.5903336230033644
Energy: 0.6497693752758804
Energy: 0.6132456487501664
Energy: 0.556934891289094
Energy: 0.6132456487501664
Energy: 0.541810443317996
Energy: 0.6024401757553753
Energy: 0.6288389268112594
Energy: 0.6024401757553753

minimum gb energy = 0.5159477017571467 eV
minimum distance =  2.5242311911549 Angstroms
sigma value = 53


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

Energy: 0.4842929318171771
Energy: 0.48455581272527104
Energy: 0.6689522786044441
Energy: 0.48455581272215326
Energy: 0.6177717922489454
Energy: 0.5664565914776512
Energy: 0.5473034794863798
Energy: 0.5664565914745334
Energy: 0.4976776795411502
Energy: 0.48460722291751596
Energy: 0.5435956276077291
Energy: 0.4846072229143981
Energy: 0.4973004739019102
Energy: 0.48459597759308787
Energy: 0.5442496116201518
Energy: 0.48459597759152895
Energy: 0.6177841951721883
Energy: 0.5663935597638717
Energy: 0.5474422994217825
Energy: 0.5663935597638717
Energy: 0.4842929318171771
Energy: 0.48455581272527104
Energy: 0.668746741684602
Energy: 0.48455581272215326
Energy: 0.6177717922473865
Energy: 0.5664565914760923
Energy: 0.5619558230874206
Energy: 0.5664565914760923
Energy: 0.49767767953959136
Energy: 0.4846072229159571
Energy: 0.5879916148153823
Energy: 0.4846072229159571
Energy: 0.4973004739034691
Energy: 0.48459597759152895
Energy: 0.561732877410937
Energy: 0.48459597759152895
Energy: 0.6177841951721883
Energy: 0.5663935597638717
Energy: 0.6089779688706628
Energy: 0.5663935597623128
Energy: 0.4842929318171771
Energy: 0.48455581272527104
Energy: 0.6906886643707305
Energy: 0.48455581272215326
Energy: 0.6177717922489454
Energy: 0.5664565914776512
Energy: 0.5619558230858618
Energy: 0.5664565914760923
Energy: 0.49767767953959136
Energy: 0.4846072229159571
Energy: 0.5879916148138234
Energy: 0.4846072229143981

minimum gb energy = 0.4842929318171771 eV
minimum distance =  2.60222285881982 Angstroms
sigma value = 9


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

Energy: 0.5591260776816631
Energy: 0.6175215929939736
Energy: 0.7295831657885767
Energy: 0.6175215929922427
Energy: 0.6662877729609408
Energy: 0.5923802008002219
Energy: 0.5610469911543201
Energy: 0.5923802008025296
Energy: 0.5469597548639131
Energy: 0.5632567809092569
Energy: 0.5309013529436789
Energy: 0.5632567809104108
Energy: 0.6235093876031441
Energy: 0.6320573214300906
Energy: 0.574639161105329
Energy: 0.6320573214289368
Energy: 0.6474246591053081
Energy: 0.5682582117686268
Energy: 0.5621605042763149
Energy: 0.5682582117703576
Energy: 0.5467103347339373
Energy: 0.548343321928931
Energy: 0.6257455755491474
Energy: 0.5483433219312389
Energy: 0.712329459249923
Energy: 0.5513443808480928
Energy: 0.5482936930790111
Energy: 0.5513443808469387
Energy: 0.5509660437072832
Energy: 0.6505486497435636
Energy: 0.6179400588020311
Energy: 0.6505486497447175
Energy: 0.548262355277511
Energy: 0.5970366998245471
Energy: 0.5516032856323044
Energy: 0.5970366998222393
Energy: 0.5642149985995987
Energy: 0.5838138391037971
Energy: 0.5708495645269496
Energy: 0.5838138391032202
Energy: 0.5534610589922481
Energy: 0.6001365618961026
Energy: 0.7020113675469581
Energy: 0.6001365618943718
Energy: 0.6399106036170695
Energy: 0.5939361069811434
Energy: 0.5490645344786752
Energy: 0.5939361069800158
Energy: 0.5427067569357945
Energy: 0.6100557184486388
Energy: 0.6721048706727328
Energy: 0.6100557184497927
Energy: 0.620181574827514
Energy: 0.6557534095832052
Energy: 0.5389201245759836
Energy: 0.6557534095837821
Energy: 0.5487989315275408
Energy: 0.5997749314989776
Energy: 0.6246837101210843
Energy: 0.5997749315007085
Energy: 0.5443409326405736
Energy: 0.6423376778425022
Energy: 0.6054955770564822
Energy: 0.6423376778413482
Energy: 0.5990415265874941
Energy: 0.6287880390062298
Energy: 0.5488982435247175
Energy: 0.6287880390068069
Energy: 0.5535519194299809
Energy: 0.5703666399197053
Energy: 0.6517604084426049
Energy: 0.5703666399208592
Energy: 0.6727213125599029
Energy: 0.594973862970428
Energy: 0.5478539876470089
Energy: 0.5949738629715818
Energy: 0.5410002267397152
Energy: 0.5816250395117466
Energy: 0.6283490687427247
Energy: 0.5816250395123237
Energy: 0.6126496022443118
Energy: 0.6316810230991333
Energy: 0.6081797817548193
Energy: 0.6316810230956715
Energy: 0.609199956279746
Energy: 0.5366829015070568
Energy: 0.5422962150253593
Energy: 0.5366829015047488
Energy: 0.5523756210281506
Energy: 0.5803868614322008
Energy: 0.5771409093331382
Energy: 0.5803868614350856
Energy: 0.7013168278082577
Energy: 0.5983313130510428
Energy: 0.5518911613158396
Energy: 0.5983313130510428
Energy: 0.547307655587607
Energy: 0.5946027218176924
Energy: 0.7131375089790238
Energy: 0.5946027218182693
Energy: 0.5691775129229287
Energy: 0.5622531994178124
Energy: 0.5414771417388091
Energy: 0.5622531994201202
Energy: 0.6087162313562852
Energy: 0.6203853385610664
Energy: 0.6297143118379693
Energy: 0.6203853385651052
Energy: 0.5660314622657688
Energy: 0.6150021434371613
Energy: 0.621286897992059
Energy: 0.6150021434331225
Energy: 0.5730891354001608
Energy: 0.5438397919052566
Energy: 0.5407468119561617
Energy: 0.5438397919064105
Energy: 0.5467421871547804
Energy: 0.5997847051439612
Energy: 0.6824561453702662
Energy: 0.5997847051451152
Energy: 0.644055529697568
Energy: 0.5894255625707348
Energy: 0.5510265217318474
Energy: 0.5894255625707348
Energy: 0.5612751803989419
Energy: 0.5744251376326004
Energy: 0.5709987549750722
Energy: 0.5744251376331774
Energy: 0.5474244659653908
Energy: 0.5966655151215269
Energy: 0.5427449079346076
Energy: 0.5966655151215269
Energy: 0.6013879443417712
Energy: 0.5889474649886314
Energy: 0.6065142429567342
Energy: 0.5889474649892084
Energy: 0.5400887915878917
Energy: 0.6707455790631425
Energy: 0.7058477954285143
Energy: 0.6707455790631425

minimum gb energy = 0.5309013529436789 eV
minimum distance =  2.50499596889578 Angstroms
sigma value = 73


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

Energy: 0.5620007531855356
Energy: 0.5634498883276695
Energy: 0.7149732765423241
Energy: 0.563449888326754
Energy: 0.623302683417516
Energy: 0.5742652089002039
Energy: 0.5643880359357168
Energy: 0.5742652088983732
Energy: 0.55780657049796
Energy: 0.5510772866766441
Energy: 0.5288351872632086
Energy: 0.5510772866784749
Energy: 0.5566938217441151
Energy: 0.6081358013690693
Energy: 0.5928365202059923
Energy: 0.6081358013690693
Energy: 0.5813103926367819
Energy: 0.5817812274094399
Energy: 0.5606160417614326
Energy: 0.5817812274103553
Energy: 0.5740214918450273
Energy: 0.5372291135280775
Energy: 0.6682243002111696
Energy: 0.5372291135280775
Energy: 0.7107146765199226
Energy: 0.6681307650617355
Energy: 0.5585936257109941
Energy: 0.66813076506082
Energy: 0.5484673137077366
Energy: 0.5178473931604931
Energy: 0.656616049492069
Energy: 0.5178473931595776
Energy: 0.692270162460178
Energy: 0.5178165615625148
Energy: 0.5180194330959235
Energy: 0.5178165615643456
Energy: 0.5598621072001362
Energy: 0.6081109931210182
Energy: 0.5598517790981747
Energy: 0.6081109931201029
Energy: 0.5488875957933493
Energy: 0.5514449418240007
Energy: 0.6726281382663432
Energy: 0.5514449418230853
Energy: 0.6193062952825951
Energy: 0.5428189577407576
Energy: 0.5455490789616566
Energy: 0.5428189577398421
Energy: 0.5514916238412604
Energy: 0.5552489066703077
Energy: 0.6300998924511856
Energy: 0.5552489066693923
Energy: 0.6782340856200216
Energy: 0.5954051860696159
Energy: 0.5731044214239063
Energy: 0.5954051860687005
Energy: 0.5217943425655851
Energy: 0.6473261974074773
Energy: 0.6776434031676597
Energy: 0.6473261974074773
Energy: 0.6535076004232703
Energy: 0.5746174063779151
Energy: 0.5489257807636837
Energy: 0.5746174063779151
Energy: 0.5776989639535973
Energy: 0.5626106475226251
Energy: 0.5578606543235726
Energy: 0.5626106475226251
Energy: 0.563331660713017
Energy: 0.5622654791893584
Energy: 0.58364424350978
Energy: 0.5622654791911894
Energy: 0.5424175588778957
Energy: 0.5514610784021471
Energy: 0.5471800463378598
Energy: 0.5514610784021471
Energy: 0.5574688592043708
Energy: 0.6019097848105659
Energy: 0.734144966058831
Energy: 0.6019097848105659
Energy: 0.668097566487685
Energy: 0.5858068332023054
Energy: 0.5723139853782753
Energy: 0.5858068332004744
Energy: 0.5928683929908508
Energy: 0.5899500053664523
Energy: 0.6169754122096633
Energy: 0.5899500053673677

minimum gb energy = 0.5178165615625148 eV
minimum distance =  2.57621827198205 Angstroms
sigma value = 7


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

Energy: 0.5288058540378422
Energy: 0.5292202908331443
Energy: 0.7216632731171269
Energy: 0.5292202908363809
Energy: 0.7094209042393442
Energy: 0.5671044034757933
Energy: 0.5595833952292537
Energy: 0.5671044034744986
Energy: 0.5416793956209489
Energy: 0.5293950367804658
Energy: 0.5612535908377169
Energy: 0.5293950367817605
Energy: 0.5950753244668094
Energy: 0.5672323188975805
Energy: 0.5684701059871788
Energy: 0.5672323188936967
Energy: 0.550066377946072
Energy: 0.5788516458645924
Energy: 0.5312743261002834
Energy: 0.5788516458658869
Energy: 0.5431845647614628
Energy: 0.5723090203835077
Energy: 0.6862110479190411
Energy: 0.572309020390628
Energy: 0.6337004347464608
Energy: 0.6386940387922331
Energy: 0.5773215148898544
Energy: 0.6386940387909384
Energy: 0.5430011025050212
Energy: 0.5722815588493713
Energy: 0.7205953422087883
Energy: 0.5722815588500185
Energy: 0.622422000642125
Energy: 0.5580362385486534
Energy: 0.5688080246184224
Energy: 0.5580362385512424
Energy: 0.5490203351963987
Energy: 0.5713358644953523
Energy: 0.6196891861133743
Energy: 0.5713358644979415
Energy: 0.5655320144036932
Energy: 0.572151874823804
Energy: 0.6014974769376369
Energy: 0.5721518748225093
Energy: 0.5298260896430876
Energy: 0.5791516039874348
Energy: 0.5688474250999122
Energy: 0.5791516039841984
Energy: 0.5294476977273762
Energy: 0.5303641598928819
Energy: 0.6100094691854258
Energy: 0.5303641598935293
Energy: 0.5620807510258562
Energy: 0.5674889312123522
Energy: 0.6003322872000837
Energy: 0.5674889312097632
Energy: 0.547493496264478
Energy: 0.6357627811223456
Energy: 0.6831464318269455
Energy: 0.6357627811178146
Energy: 0.7254887635565912
Energy: 0.5235648153010564
Energy: 0.5521855470218263
Energy: 0.5235648153004091
Energy: 0.562532251085284
Energy: 0.5835108193190837
Energy: 0.6405082001168672
Energy: 0.5835108193197308
Energy: 0.5364924951931637
Energy: 0.5801452399875988
Energy: 0.5692340691611899
Energy: 0.5801452399869517
Energy: 0.5625364300226819
Energy: 0.5726516961298196
Energy: 0.6016422084021555
Energy: 0.5726516961324087
Energy: 0.5490462903648664
Energy: 0.5697024844462042
Energy: 0.5719376900048042
Energy: 0.5697024844442624
Energy: 0.6053790407060338
Energy: 0.617457085359594
Energy: 0.5697104559716097
Energy: 0.6174570853576522
Energy: 0.5497520349691505
Energy: 0.6159710830378577
Energy: 0.6216734015376397
Energy: 0.615971083038505
Energy: 0.6858939954251376
Energy: 0.5839139776286347
Energy: 0.5892909203794505
Energy: 0.5839139776260456
Energy: 0.5313418867961673
Energy: 0.5294502130940592
Energy: 0.6917908247714959
Energy: 0.5294502130921173
Energy: 0.6041893883448158
Energy: 0.5784608282192406
Energy: 0.5429550867108061
Energy: 0.5784608282172987
Energy: 0.5937365868646742
Energy: 0.6163427979691819
Energy: 0.5670517463341455
Energy: 0.6163427979678873
Energy: 0.5497481179301525
Energy: 0.5698752957773876
Energy: 0.5554090085706628
Energy: 0.5698752957760931
Energy: 0.6024373172244684
Energy: 0.5831589821239979
Energy: 0.5710116753238647
Energy: 0.583158982126587
Energy: 0.5406405414408865
Energy: 0.5721192090680849
Energy: 0.625399989905724
Energy: 0.5721192090667905
Energy: 0.6537003127224866
Energy: 0.6425048621096543
Energy: 0.5590140300875287
Energy: 0.6425048621154797
Energy: 0.540613230787326
Energy: 0.5721580444971059
Energy: 0.6643620665213478
Energy: 0.5721580444958114

minimum gb energy = 0.5235648153004091 eV
minimum distance =  2.56661799996225 Angstroms
sigma value = 29


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

Energy: 0.49368887923956517
Energy: 0.5005944901845848
Energy: 0.6090794015514186
Energy: 0.5005944901839334
Energy: 0.6172401097365845
Energy: 0.4950898061361957
Energy: 0.5654833331351501
Energy: 0.4950898017247609
Energy: 0.5630445627852825
Energy: 0.5109380366408047
Energy: 0.5322584652419965
Energy: 0.5109380366414814
Energy: 0.493984683697369
Energy: 0.4722903493552868
Energy: 0.5654533045987696
Energy: 0.47229034935771685
Energy: 0.49399018855243504
Energy: 0.5039446753277576
Energy: 0.642049760839809
Energy: 0.5039446753275321
Energy: 0.5463929542823289
Energy: 0.51050307666451
Energy: 0.5465478909508981
Energy: 0.5105030766636081
Energy: 0.47225027268845626
Energy: 0.5038869352120139
Energy: 0.4939317905307114
Energy: 0.5038869352118135
Energy: 0.5654324108812009
Energy: 0.4721810641847025
Energy: 0.4938476680045998
Energy: 0.47218106418051875
Energy: 0.5332924245694259
Energy: 0.5105900836635623
Energy: 0.5924854128915163
Energy: 0.5105900836631364

minimum gb energy = 0.47218106418051875 eV
minimum distance =  2.61249480200305 Angstroms
sigma value = 5


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

Energy: 0.5070967072446059
Energy: 0.5113317412972038
Energy: 0.6499007043205094
Energy: 0.5113317412984266
Energy: 0.5940337873576946
Energy: 0.537236515981677
Energy: 0.521098592478685
Energy: 0.5372365159798427
Energy: 0.4981052721539591
Energy: 0.5571253441373822
Energy: 0.6128043032295849
Energy: 0.5571253441361592
Energy: 0.5161565751522958
Energy: 0.5345443691611491
Energy: 0.5002401979881562
Energy: 0.5345443691605377
Energy: 0.5004342606349529
Energy: 0.5377561237399219
Energy: 0.5936766891898069
Energy: 0.5377561237399219
Energy: 0.565042942680285
Energy: 0.5589224575067571
Energy: 0.4970988626461697
Energy: 0.5589224575061458
Energy: 0.49768457753174317
Energy: 0.5351278161968943
Energy: 0.5075496162669052
Energy: 0.5351278161968943
Energy: 0.495050149941232
Energy: 0.5590238694493287
Energy: 0.5126224264266361
Energy: 0.5590238694493287
Energy: 0.49886976096305524
Energy: 0.5956616342920582
Energy: 0.5174093897838462
Energy: 0.5956616342926696
Energy: 0.49743351171002104
Energy: 0.5353171128097731
Energy: 0.521966242536085
Energy: 0.5353171128103846
Energy: 0.513425910430366
Energy: 0.5607643663202434
Energy: 0.5115674545552494
Energy: 0.5607643663202434
Energy: 0.5169695890555047
Energy: 0.5048882668144714
Energy: 0.5116866032042687
Energy: 0.5048882668144714
Energy: 0.566142092930693
Energy: 0.5114615985642725
Energy: 0.5129864051018886
Energy: 0.5114615985642725
Energy: 0.5072576036150658
Energy: 0.5118331961032221
Energy: 0.5216856477743297
Energy: 0.5118331961038335
Energy: 0.64760815519911
Energy: 0.5941012437674922
Energy: 0.5114150601270607
Energy: 0.5941012437681036
Energy: 0.4973705029252866
Energy: 0.508940003582913
Energy: 0.6353387708429126
Energy: 0.508940003582913
Energy: 0.5895086539605362
Energy: 0.5051537621131691
Energy: 0.5154134264302297
Energy: 0.5051537621131691
Energy: 0.5004917863500844
Energy: 0.5586342362200998
Energy: 0.5977614251191905
Energy: 0.5586342362194884
Energy: 0.5135192926408856
Energy: 0.536514354362864
Energy: 0.4925388095884815
Energy: 0.536514354362864
Energy: 0.49799483231120106
Energy: 0.6054020185258705
Energy: 0.5020393165327077
Energy: 0.6054020185258705
Energy: 0.5156216837116826
Energy: 0.533179298216965
Energy: 0.49742043848723
Energy: 0.5331792982181879
Energy: 0.5221465671041857
Energy: 0.535318595901133
Energy: 0.4957669896292785
Energy: 0.5353185959017444
Energy: 0.5128300630278761
Energy: 0.5120106024248594
Energy: 0.5160571570730529
Energy: 0.5120106024266937
Energy: 0.5109550603685038
Energy: 0.5152898965617355
Energy: 0.5119653564075997
Energy: 0.5152898965611241
Energy: 0.5159567112110591
Energy: 0.508370977968277
Energy: 0.5134806892256847
Energy: 0.508370977968277
Energy: 0.5080931804196066
Energy: 0.5116674896446632
Energy: 0.5005796718674955
Energy: 0.5116674896452746
Energy: 0.49822992905757174
Energy: 0.49339045371302154
Energy: 0.5551414330476068
Energy: 0.4933904537142444
Energy: 0.5748507703259825
Energy: 0.5333659335741344
Energy: 0.4974003649522034
Energy: 0.533365933573523
Energy: 0.5155293465452775
Energy: 0.5001749324610794
Energy: 0.672514478799344
Energy: 0.5001749324610794
Energy: 0.6176856934572459
Energy: 0.5587209385682199
Energy: 0.5005492202379795
Energy: 0.5587209385682199
Energy: 0.49651404187728476
Energy: 0.5019251779715651
Energy: 0.6166586930790251
Energy: 0.5019251779721765
Energy: 0.591537402261904
Energy: 0.5497047997145877
Energy: 0.4987456455768985
Energy: 0.5497047997139762
Energy: 0.4986946493521009
Energy: 0.5416599365177037
Energy: 0.5154775905445854
Energy: 0.5416599365201495

minimum gb energy = 0.4925388095884815 eV
minimum distance =  2.56717043748467 Angstroms
sigma value = 1


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

Energy: 0.5506586696980846
Energy: 0.4952760545446817
Energy: 0.7280576576599626
Energy: 0.49527605453791834
Energy: 0.5460704516217557
Energy: 0.5231380107009495
Energy: 0.4858323092566152
Energy: 0.5231380107017949
Energy: 0.47860756053540576
Energy: 0.4915541807812247
Energy: 0.5708475825159678
Energy: 0.49155418078207014
Energy: 0.5355766470403934
Energy: 0.5227431253650603
Energy: 0.4849042984559476
Energy: 0.5227431253659057
Energy: 0.47779879700929806
Energy: 0.48922842375371106
Energy: 0.5937578557036082
Energy: 0.4892284237528657
Energy: 0.4777199143240181
Energy: 0.5769414755185239
Energy: 0.48491132182038643
Energy: 0.5769414755185239
Energy: 0.47817762662449037
Energy: 0.5420245843812094
Energy: 0.4875707119185182
Energy: 0.5420245843803639
Energy: 0.4766076217488795
Energy: 0.5283417196562549
Energy: 0.5004333636631737
Energy: 0.5283417196562549
Energy: 0.4910072381644738
Energy: 0.4944345452938518
Energy: 0.4997017274819305
Energy: 0.4944345452938518
Energy: 0.49098948015354626
Energy: 0.5745745302948263
Energy: 0.5104050039821927
Energy: 0.5745745302956717
Energy: 0.4781748118107155
Energy: 0.5647988166044136
Energy: 0.4999160267172696
Energy: 0.564798816605259
Energy: 0.4789085379462176
Energy: 0.5364292032340259
Energy: 0.48754690743748186
Energy: 0.5364292032348713
Energy: 0.4724781530746492
Energy: 0.49119400390503987
Energy: 0.48550182389307645
Energy: 0.4911940039058853
Energy: 0.4723089265739242
Energy: 0.5339536965217175
Energy: 0.5509390003645798
Energy: 0.5339536965200268
Energy: 0.5638823839223362
Energy: 0.5223936900419606
Energy: 0.4854499323276479
Energy: 0.5223936900436513
Energy: 0.47838993817535136
Energy: 0.5284889014585755
Energy: 0.5085850860214202
Energy: 0.528488901459421
Energy: 0.7028045821466745
Energy: 0.5063633617660216
Energy: 0.48365357410249915
Energy: 0.5063633617660216
Energy: 0.5506586696980846
Energy: 0.4952760545159564
Energy: 0.6745855930912605
Energy: 0.4952760545227199
Energy: 0.5460704516226011
Energy: 0.5231380107009495
Energy: 0.4858323092574606
Energy: 0.5231380107026403
Energy: 0.47860756053540576
Energy: 0.4915541807828963
Energy: 0.5836059970476887
Energy: 0.49155418078374175
Energy: 0.5355766470395481
Energy: 0.5227431253650603
Energy: 0.48490429845679306
Energy: 0.5227431253659057
Energy: 0.47779879700929806
Energy: 0.489228423755402
Energy: 0.593757855711217
Energy: 0.48922842375624737
Energy: 0.47771991432486355
Energy: 0.5769414755185239
Energy: 0.48491132182038643
Energy: 0.5769414755185239
Energy: 0.478177626623645
Energy: 0.5420245843812094
Energy: 0.49900241432029824
Energy: 0.5420245843812094

minimum gb energy = 0.4723089265739242 eV
minimum distance =  2.57610362749005 Angstroms
sigma value = 17


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

Energy: 0.49421734024200675
Energy: 0.49483319869329956
Energy: 0.6626961244140804
Energy: 0.4948331986938221
Energy: 0.5607808445613676
Energy: 0.4898168767525386
Energy: 0.4828383650154364
Energy: 0.48981687675515134
Energy: 0.48066695368114
Energy: 0.534240515382977
Energy: 0.5882391143845506
Energy: 0.534240515382977
Energy: 0.5467171354650502
Energy: 0.5760821324266648
Energy: 0.47992806228287554
Energy: 0.5760821324266648
Energy: 0.4823018323016625
Energy: 0.5252823086812257
Energy: 0.618998332598888
Energy: 0.5252823086817482
Energy: 0.4981785223674054
Energy: 0.5861750636423609
Energy: 0.4857755200648024
Energy: 0.5861750636449736
Energy: 0.4973073475061657
Energy: 0.5171976391370743
Energy: 0.48939192878634896
Energy: 0.5171976391370743
Energy: 0.49380253164308335
Energy: 0.5901800850392152
Energy: 0.48027164361176555
Energy: 0.59018008503817
Energy: 0.49636404287476615
Energy: 0.5870433296005623
Energy: 0.5217812692298309
Energy: 0.5870433295995171
Energy: 0.4890150146742219
Energy: 0.5913854654893091
Energy: 0.4872881721801159
Energy: 0.5913854654898316
Energy: 0.4847287336180838
Energy: 0.5809562847864007
Energy: 0.4823106726375848
Energy: 0.5809562847853555
Energy: 0.4775649279543957
Energy: 0.5132390005893549
Energy: 0.47407153776505473
Energy: 0.5132390005893549
Energy: 0.4969833646995413
Energy: 0.5869344667412837
Energy: 0.4839609677919046
Energy: 0.5869344667407611
Energy: 0.48857555917624296
Energy: 0.5248709041347074
Energy: 0.49488141077637704
Energy: 0.5248709041362749
Energy: 0.4860196451954757
Energy: 0.5783448719509344
Energy: 0.5001464469115654
Energy: 0.5783448719509344
Energy: 0.48562229589213346
Energy: 0.4894211595271222
Energy: 0.6061681315994979
Energy: 0.4894211595271222
Energy: 0.5110102803314126
Energy: 0.5780788747852791
Energy: 0.4839641402941749
Energy: 0.578078874784234
Energy: 0.4769079385208258
Energy: 0.5400745405928341
Energy: 0.6101569179932305
Energy: 0.5400745405928341
Energy: 0.5555517936740286
Energy: 0.5151871668931037
Energy: 0.4826683940921946
Energy: 0.515187166904552
Energy: 0.4830129237550322
Energy: 0.4893448694176491
Energy: 0.6317333383313983
Energy: 0.4893448694176491
Energy: 0.651510990783213
Energy: 0.4855950319602073
Energy: 0.49406728081064055
Energy: 0.4855950319607299
Energy: 0.49495810847683613
Energy: 0.5406138523681576
Energy: 0.6483199101040701
Energy: 0.5406138523692027
Energy: 0.5454975012542592
Energy: 0.5821332809156169
Energy: 0.48428055398383824
Energy: 0.5821332809166619
Energy: 0.48285990768280956
Energy: 0.5178793677273857
Energy: 0.5596423050298899
Energy: 0.5178793677279083
Energy: 0.52869575497945
Energy: 0.5400314987036595
Energy: 0.47800737451870134
Energy: 0.5400314987010942
Energy: 0.4849609229120036
Energy: 0.525171109405423
Energy: 0.5109458195651873
Energy: 0.5251711094038554
Energy: 0.551737293944334
Energy: 0.5889432759821696
Energy: 0.4866538830881601
Energy: 0.5889432759816471
Energy: 0.5029301217733795
Energy: 0.5786230844430441
Energy: 0.48445245665917974
Energy: 0.5786230844425215
Energy: 0.494713103419614
Energy: 0.5246746717358044
Energy: 0.49126860992650423
Energy: 0.524674671736327
Energy: 0.4858268038115347
Energy: 0.587018793824915
Energy: 0.5238074253286995
Energy: 0.5870187938243925
Energy: 0.48357091647913736
Energy: 0.5233256018970027
Energy: 0.4773091626596195
Energy: 0.5233256018954351
Energy: 0.48483849706090365
Energy: 0.5805613179748176
Energy: 0.4829307850187838
Energy: 0.5805613179737724
Energy: 0.4861964669293241
Energy: 0.5916955447923208
Energy: 0.5639047473757794
Energy: 0.5916955447907531
Energy: 0.5277755262350691
Energy: 0.5865854193808598
Energy: 0.4897531850647855
Energy: 0.5865854193792922
Energy: 0.47958717632129705
Energy: 0.5407420600061144
Energy: 0.5098234125714983
Energy: 0.5407420600045467
Energy: 0.4897720862655124
Energy: 0.5177807857547491
Energy: 0.49560517491008843
Energy: 0.5177807857531814
Energy: 0.4842111239021659
Energy: 0.5883349235429943
Energy: 0.518960702232835
Energy: 0.5883349235403816
Energy: 0.6234852748789442
Energy: 0.5260441202593871
Energy: 0.4842905135049679
Energy: 0.5260441202604322

minimum gb energy = 0.47407153776505473 eV
minimum distance =  2.5718476799883 Angstroms
sigma value = 89


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

Energy: 0.4314741198206788
Energy: 0.43190204008387134
Energy: 0.5835042192018902
Energy: 0.43190204008387134
Energy: 0.43190111854786073
Energy: 0.4479550777592771
Energy: 0.4429916235610862
Energy: 0.4479550777592771
Energy: 0.44096531474942596
Energy: 0.6523255161223808
Energy: 0.7655863197509877
Energy: 0.652325516123748
Energy: 0.45276077811949633
Energy: 0.4478916641680176
Energy: 0.442895541259064
Energy: 0.4478916641680176
Energy: 0.44114522710793014
Energy: 0.47636430735268637
Energy: 0.742852482529169
Energy: 0.47636430735268637
Energy: 0.44111520633462514
Energy: 0.43197439120337583
Energy: 0.4341680394073914
Energy: 0.43197439120337583
Energy: 0.4410526712359763
Energy: 0.5154730690183786
Energy: 0.431825307006444
Energy: 0.5154730690183786
Energy: 0.4476565169752022
Energy: 0.5137955281727713
Energy: 0.44291728309924916
Energy: 0.5137955281796074
Energy: 0.44110944657241663
Energy: 0.47641665014681106
Energy: 0.4539311562649541
Energy: 0.47641665014681106
Energy: 0.44797331466645257
Energy: 0.474419008982695
Energy: 0.4413382659366322
Energy: 0.47441900898406225
Energy: 0.4315813011639888
Energy: 0.4479166355011133
Energy: 0.44128226731450937
Energy: 0.4479166354997461
Energy: 0.43169673445225876
Energy: 0.5135161559545719
Energy: 0.4430075431635662
Energy: 0.5135161559545719
Energy: 0.4412126595928493
Energy: 0.43178168252365173
Energy: 0.45260858255562036
Energy: 0.43178168252365173
Energy: 0.44149473484280616
Energy: 0.4743996080489071
Energy: 0.4413249772885134
Energy: 0.4743996080489071
Energy: 0.45861029968172395
Energy: 0.4324513791250796
Energy: 0.44117269332829534
Energy: 0.43245137912371234

minimum gb energy = 0.4314741198206788 eV
minimum distance =  2.58608707672472 Angstroms
sigma value = 13


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

Energy: 0.4501369932139537
Energy: 0.43450955692365656
Energy: 0.7144982443132416
Energy: 0.43450955692365656
Energy: 0.6188328263802916
Energy: 0.4455800812965598
Energy: 0.43339560556867185
Energy: 0.4455800813005712
Energy: 0.43435438749805105
Energy: 0.5012853543312218
Energy: 0.5350967288885675
Energy: 0.5012853543295026
Energy: 0.4330301834081754
Energy: 0.4466970858100201
Energy: 0.4300688259592541
Energy: 0.4466970858100201
Energy: 0.44033056631892215
Energy: 0.4671301847046433
Energy: 0.4757310447411775
Energy: 0.46713018470349715
Energy: 0.4324989231505721
Energy: 0.44569613251563023
Energy: 0.43962033550459206
Energy: 0.44569613251276485
Energy: 0.4401433783675509
Energy: 0.5045104661152422
Energy: 0.6067027713122538
Energy: 0.5045104661180815
Energy: 0.43344493194167094
Energy: 0.5114616920555064
Energy: 0.43971963818183735
Energy: 0.5114616920566525
Energy: 0.4401181048705011
Energy: 0.46598870295655265
Energy: 0.5079564208607874
Energy: 0.46598870295483347
Energy: 0.5136264428667713
Energy: 0.511017354784791
Energy: 0.4301578099616234
Energy: 0.5110173547876562
Energy: 0.4403117633052998
Energy: 0.47637802227688436
Energy: 0.43257086216931606
Energy: 0.4763780222791765
Energy: 0.5739007742738278
Energy: 0.5347747590119337
Energy: 0.4345350666848368
Energy: 0.5347747590159451
Energy: 0.4565993710874106
Energy: 0.4433533106644791
Energy: 0.4391445705078338
Energy: 0.4433533106398375
Energy: 0.5762102040836421
Energy: 0.4752994092972891
Energy: 0.4364919859851012
Energy: 0.47529940929671605
Energy: 0.44036807446534737
Energy: 0.5442375400629318
Energy: 0.4395507895419801
Energy: 0.5442375400635049
Energy: 0.43234504666868306
Energy: 0.4754834071130306
Energy: 0.4291336700386813
Energy: 0.47548340711589593
Energy: 0.4403068543808615
Energy: 0.46275657835189954
Energy: 0.42882251739063926
Energy: 0.46275657835189954
Energy: 0.44939274932534423
Energy: 0.4642646112737853
Energy: 0.43833755750850073
Energy: 0.4642646112772237
Energy: 0.44030086433396326
Energy: 0.5040487368241786
Energy: 0.4379985326068128
Energy: 0.5040487368218864
Energy: 0.4404956543169617
Energy: 0.5042379957006043
Energy: 0.4381760783233331
Energy: 0.5042379956931546
Energy: 0.44933934213511856
Energy: 0.46435242076070965
Energy: 0.43804981656689673
Energy: 0.4643524207618558
Energy: 0.44027013791756614
Energy: 0.4624661649217484
Energy: 0.4288573869745562
Energy: 0.4624661649234676
Energy: 0.43228099769879796
Energy: 0.47556808369667947
Energy: 0.4287220760486592
Energy: 0.475568083692668
Energy: 0.4405700117664276
Energy: 0.5441816011182629
Energy: 0.43732791708903646
Energy: 0.5441816011165437
Energy: 0.5759407282084529
Energy: 0.4754998971847618
Energy: 0.43633320916598695
Energy: 0.4754998971847618
Energy: 0.4565864187194662
Energy: 0.44289904637240607
Energy: 0.4333349017052629
Energy: 0.4428990463689938
Energy: 0.573114611085272
Energy: 0.5349683978149764
Energy: 0.43427561670110687
Energy: 0.5349683978121111
Energy: 0.440585952478322
Energy: 0.4764985751069395
Energy: 0.4306692754488521
Energy: 0.4764985751080856
Energy: 0.513575083199089
Energy: 0.5112799163880933
Energy: 0.4301279637708122
Energy: 0.5112799163812427
Energy: 0.44055824390708953
Energy: 0.4657138891966835
Energy: 0.5078995458689977
Energy: 0.46571388919037987
Energy: 0.43349760702274476
Energy: 0.5116892397584651
Energy: 0.4395745859178306
Energy: 0.5116892397561729
Energy: 0.4404156925393854
Energy: 0.5038153788255999
Energy: 0.5839190723918148
Energy: 0.5038153788330496
Energy: 0.432844181171101
Energy: 0.4455809633001138
Energy: 0.4395498439686371
Energy: 0.44558096330068686
Energy: 0.44030074986584283
Energy: 0.46690787324213534
Energy: 0.5624140646562765
Energy: 0.46690787324500055
Energy: 0.4339480945902517
Energy: 0.4465123546089238
Energy: 0.4301118476437697
Energy: 0.4465123546123622

minimum gb energy = 0.4287220760486592 eV
minimum distance =  2.59353701625405 Angstroms
sigma value = 37


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

Energy: 0.41456010620493905
Energy: 0.4148151069296014
Energy: 0.5753969963612466
Energy: 0.4148151069296014
Energy: 0.6529256606426203
Energy: 0.5424725594423175
Energy: 0.3988219474954836
Energy: 0.5424725594423175
Energy: 0.39280051710344877
Energy: 0.6545482030061104
Energy: 0.7336794810586105
Energy: 0.6545482030061104
Energy: 0.3929756505049338
Energy: 0.5426725856912338
Energy: 0.3987934773254428
Energy: 0.5426725856912338
Energy: 0.39775473865099775
Energy: 0.41450917916528024
Energy: 0.4689111085811438
Energy: 0.41450917916528024
Energy: 0.39542184495713917
Energy: 0.5424428099558334
Energy: 0.39463428807059964
Energy: 0.5424428099558334
Energy: 0.39873369131650194
Energy: 0.6728366877205826
Energy: 0.520822533549201
Energy: 0.6728366877205826
Energy: 0.39780702439628113
Energy: 0.4147935889968969
Energy: 0.4164161642811354
Energy: 0.4147935889968969
Energy: 0.39774089514865874
Energy: 0.5424354568239254
Energy: 0.5853895905477136
Energy: 0.5424354568239254
Energy: 0.5582797582055296
Energy: 0.6489639096179698
Energy: 0.3946499952340274
Energy: 0.6489639096189559
Energy: 0.3989963529506223
Energy: 0.6680223672623716
Energy: 0.3930464649261423
Energy: 0.6680223672633576
Energy: 0.5189385490276355
Energy: 0.4144523199892077
Energy: 0.3987479818412747
Energy: 0.4144523199882218
Energy: 0.39284378751168175
Energy: 0.5423772062121449
Energy: 0.4040089959296352
Energy: 0.5423772062121449
Energy: 0.5206101777183177
Energy: 0.6684953706676414
Energy: 0.39791659764725257
Energy: 0.6684953706676414
Energy: 0.41466333166723757
Energy: 0.4375219123336291
Energy: 0.39780554185491207
Energy: 0.4375219123336291
Energy: 0.41458551730605697
Energy: 0.5423034399177542
Energy: 0.3987799894738104
Energy: 0.5423034399177542
Energy: 0.3928040530630529
Energy: 0.45896228604852796
Energy: 0.4111728152678844
Energy: 0.45896228604852796
Energy: 0.39301022310709577
Energy: 0.6684614860137261
Energy: 0.3978975570375976
Energy: 0.6684614860137261
Energy: 0.3991161876963044
Energy: 0.41453080719403523
Energy: 0.39783584485102447
Energy: 0.41453080719403523
Energy: 0.3980173515575427
Energy: 0.542345482124948
Energy: 0.392839585994149
Energy: 0.542345482124948

minimum gb energy = 0.39280051710344877 eV
minimum distance =  2.57896936600181 Angstroms
sigma value = 25


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

Energy: 0.44474027767309615
Energy: 0.5986995112695743
Energy: 0.4215601584397829
Energy: 0.5986995112703442
Energy: 0.6341666484779502
Energy: 0.5881869828255359
Energy: 0.376881511252612
Energy: 0.5881869828239962
Energy: 0.4186753172376017
Energy: 0.4190265714750882
Energy: 0.49580687174660487
Energy: 0.4190265714758581
Energy: 0.4952388544203954
Energy: 0.503247082615306
Energy: 0.3785208963096339
Energy: 0.5032470826160759
Energy: 0.38293627033081573
Energy: 0.4950998552190582
Energy: 0.42247232322576794
Energy: 0.49509985522059796
Energy: 0.4071562407974325
Energy: 0.5285753628313472
Energy: 0.3843928059551571
Energy: 0.5285753628313472
Energy: 0.37676640470141554
Energy: 0.3727942688865957
Energy: 0.5737420430685382
Energy: 0.37279426888505596
Energy: 0.37115464229853795
Energy: 0.5446967627429847
Energy: 0.41880422413880425
Energy: 0.5446967627437547
Energy: 0.3765164768308819
Energy: 0.5992526030999271
Energy: 0.5734858050157491
Energy: 0.5992526030976175
Energy: 0.36606628735311897
Energy: 0.5397575202828332
Energy: 0.3983647278695883
Energy: 0.539757520283603
Energy: 0.3774007035203918
Energy: 0.4823592860728868
Energy: 0.5382584495915338
Energy: 0.4823592860751964
Energy: 0.4960422207424192
Energy: 0.5555865949434402
Energy: 0.4187730517530067
Energy: 0.5555865949426704
Energy: 0.37949298840038526
Energy: 0.5026616909884914
Energy: 0.494649041349215
Energy: 0.5026616909892613
Energy: 0.47755847303342
Energy: 0.5542250678641313
Energy: 0.3841582682394309
Energy: 0.5542250678641313
Energy: 0.38383035537323823
Energy: 0.48266478197633356
Energy: 0.4070754663775269
Energy: 0.4826647819771035
Energy: 0.5173064748587005
Energy: 0.6214893185789643
Energy: 0.37587670603550755
Energy: 0.6214893185789643
Energy: 0.4210369708789454
Energy: 0.5054828872307945
Energy: 0.412106999569188
Energy: 0.5054828872315644
Energy: 0.5092917176359755
Energy: 0.5477052891027566
Energy: 0.37697759830552796
Energy: 0.5477052891035266
Energy: 0.4469725917400608
Energy: 0.5564286777915617
Energy: 0.36643659094853004
Energy: 0.5564286777907919
Energy: 0.5827337680195042
Energy: 0.5662413751670015
Energy: 0.3763738912353306
Energy: 0.5662413751654618
Energy: 0.4214308424948241
Energy: 0.47572870051563937
Energy: 0.37040741228930235
Energy: 0.4757287005171791
Energy: 0.41838213571630556
Energy: 0.5027121921148139
Energy: 0.38234149170534104
Energy: 0.5027121921148139
Energy: 0.3836632041794292
Energy: 0.5005086055686221
Energy: 0.4776132848074767
Energy: 0.5005086055686221
Energy: 0.4070392241686211
Energy: 0.6059993190925612
Energy: 0.38256979522707685
Energy: 0.6059993190948709
Energy: 0.37596003787908094
Energy: 0.6285548831938995
Energy: 0.5173820349291726
Energy: 0.6285548831923597
Energy: 0.3687196121648749
Energy: 0.5057334426063331
Energy: 0.4184968536535074
Energy: 0.5057334426078729

minimum gb energy = 0.36606628735311897 eV
minimum distance =  2.56388482954506 Angstroms
sigma value = 41


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

Energy: 0.5298617003626982
Energy: 0.552574787166824
Energy: 0.49506277574822566
Energy: 0.5525747871680863
Energy: 0.6435042061870473
Energy: 0.47842105843635413
Energy: 0.34488858181465193
Energy: 0.4784210584376165
Energy: 0.39289876242342364
Energy: 0.5378449828806359
Energy: 0.4445981003521431
Energy: 0.5378449828856852
Energy: 0.5144754682944966
Energy: 0.44656065349858753
Energy: 0.3452878836184705
Energy: 0.44656065349858753
Energy: 0.3782008778246833
Energy: 0.5228483590018299
Energy: 0.38470805688013104
Energy: 0.5228483590018299
Energy: 0.4453954636291095
Energy: 0.4721466043781169
Energy: 0.34907825204018966
Energy: 0.47214660437748573
Energy: 0.34794088737769646
Energy: 0.44237648864632206
Energy: 0.41509319601911315
Energy: 0.44237648864505974
Energy: 0.37222906546956813
Energy: 0.4813669940722114
Energy: 0.37818830542842813
Energy: 0.4813669940753673
Energy: 0.3464639437333389
Energy: 0.5549784819167624
Energy: 0.5273227770523301
Energy: 0.5549784819155
Energy: 0.34158569550413703
Energy: 0.5470567337022062
Energy: 0.3928537069827525
Energy: 0.547056733701575
Energy: 0.3442381504130541
Energy: 0.5390418889457157
Energy: 0.5795602658468533
Energy: 0.539041888946978
Energy: 0.33896008466037564
Energy: 0.5144478073509456
Energy: 0.48482983413614594
Energy: 0.5144478073471584
Energy: 0.34639476423820237
Energy: 0.5531111202121576
Energy: 0.5445564454882219
Energy: 0.55311112021342
Energy: 0.44455112977599115
Energy: 0.5597053390178188
Energy: 0.3928077197741853
Energy: 0.5597053390190811
Energy: 0.34585176146141317
Energy: 0.4499878425235724
Energy: 0.5139029683610495
Energy: 0.44998784252231006
Energy: 0.4358662819419674
Energy: 0.4885771243133577
Energy: 0.3783313062472748
Energy: 0.48857712430893946
Energy: 0.35147867016658385
Energy: 0.5507300443348364
Energy: 0.44302670646741626
Energy: 0.5507300443342052
Energy: 0.46683360550821357
Energy: 0.5661992493588299
Energy: 0.34907371410878735
Energy: 0.5661992493594612
Energy: 0.3797037985972714
Energy: 0.4504527982689876
Energy: 0.3719444336880391
Energy: 0.4504527982721434
Energy: 0.4642512058291464
Energy: 0.5171374902586976
Energy: 0.34815886881634833
Energy: 0.5171374902580664
Energy: 0.3943560100163744
Energy: 0.5567638798430312
Energy: 0.3765098689314794
Energy: 0.5567638798436624
Energy: 0.5797208686818835
Energy: 0.5700407520431884
Energy: 0.3446598727464896
Energy: 0.5700407520431884
Energy: 0.5245132668217363
Energy: 0.5138194179433161
Energy: 0.33877216001640414
Energy: 0.5138194179407913
Energy: 0.5247870144188147
Energy: 0.5504153551934663
Energy: 0.34823725408267714
Energy: 0.5504153551928351
Energy: 0.3943990774828079
Energy: 0.5713303829099368
Energy: 0.34139948393375824
Energy: 0.5713303829093056
Energy: 0.5139874273827255
Energy: 0.5706810417391338
Energy: 0.34768859140607383
Energy: 0.5706810417366092
Energy: 0.37972069513016965
Energy: 0.42216110150794794
Energy: 0.4357653294287319
Energy: 0.42216110150984154
Energy: 0.37818582484202445
Energy: 0.5486340072273265
Energy: 0.3521244939858625
Energy: 0.548634007229851
Energy: 0.35113867730818565
Energy: 0.5713574957763408
Energy: 0.46685546922193877
Energy: 0.5713574957782344
Energy: 0.37201973999812143
Energy: 0.559729603708424
Energy: 0.3823172885714113
Energy: 0.5597296037058993
Energy: 0.3463921817634021
Energy: 0.4690304852047756
Energy: 0.46405780562925314
Energy: 0.4690304852047756
Energy: 0.3403025250697785
Energy: 0.5542148024212491
Energy: 0.3964868139866025
Energy: 0.5542148024168596

minimum gb energy = 0.33877216001640414 eV
minimum distance =  2.55240161112647 Angstroms
sigma value = 15


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

Energy: 0.4834913274395508
Energy: 0.519122231424837
Energy: 0.46348723529806773
Energy: 0.5191222314226982
Energy: 0.6273346769053695
Energy: 0.5057410243247412
Energy: 0.3285948517300155
Energy: 0.5057410243199288
Energy: 0.371065303462843
Energy: 0.5038033292130434
Energy: 0.4054216328478
Energy: 0.5038033292098352
Energy: 0.6015386376182725
Energy: 0.41559642506600114
Energy: 0.3285226383564487
Energy: 0.4155964250665358
Energy: 0.3571194675981756
Energy: 0.522034673971099
Energy: 0.3552536180016924
Energy: 0.5220346739700297
Energy: 0.4640808698169509
Energy: 0.5046521776798407
Energy: 0.3291577071523561
Energy: 0.5046521776825142
Energy: 0.33174175757852903
Energy: 0.38854787637648586
Energy: 0.3811370693586869
Energy: 0.38854787637386096
Energy: 0.40549251223423216
Energy: 0.38779769339856185
Energy: 0.3324819785922771
Energy: 0.38779769340123527
Energy: 0.32966852440374084
Energy: 0.5253618524613167
Energy: 0.4825188751759989
Energy: 0.5253618524602474
Energy: 0.34480241830432634
Energy: 0.5107972496544841
Energy: 0.35722636718282974
Energy: 0.5107972496544841
Energy: 0.32825420345493045
Energy: 0.5069451194234501
Energy: 0.5350882967634609
Energy: 0.5069451194250543
Energy: 0.3187090385800447
Energy: 0.42514555387480746
Energy: 0.37121792581867946
Energy: 0.42514555387534214
Energy: 0.32964302839849724
Energy: 0.5283113681976741
Energy: 0.5916395209379625
Energy: 0.5283113681976741
Energy: 0.31659939513299434
Energy: 0.5127678768707756
Energy: 0.4469621680192951
Energy: 0.512767876869706
Energy: 0.3281028551746651
Energy: 0.5047347356367164
Energy: 0.5492188493037485
Energy: 0.5047347356345776
Energy: 0.40575485271317335
Energy: 0.4150807928816853
Energy: 0.3711704059600599
Energy: 0.4150807928832895
Energy: 0.3297217480960836
Energy: 0.5156180857688906
Energy: 0.5236599172470304
Energy: 0.5156180857656826
Energy: 0.4011840105565938
Energy: 0.5205459581743054
Energy: 0.3570415047198932
Energy: 0.5205459581737706
Energy: 0.329287756789686
Energy: 0.5030543308864124
Energy: 0.46383189148201426
Energy: 0.5030543308837389
Energy: 0.4271425813340729
Energy: 0.4414271561972421
Energy: 0.33244470550755817
Energy: 0.4414271562025891
Energy: 0.3339326532566547
Energy: 0.4669525473192519
Energy: 0.4051503357598803
Energy: 0.4669525473160437
Energy: 0.424741470744143
Energy: 0.5273787191022135
Energy: 0.3315952180252369
Energy: 0.5273787190990054
Energy: 0.35809413970262416
Energy: 0.5090771298318452
Energy: 0.3449792774712624
Energy: 0.5090771298313103
Energy: 0.5319782070374641
Energy: 0.454256034769788
Energy: 0.3284673908070278
Energy: 0.45425603477139215
Energy: 0.37223748198705486
Energy: 0.5220323595114632
Energy: 0.3468147513413004
Energy: 0.5220323595066508
Energy: 0.5310278981898248
Energy: 0.519846207076062
Energy: 0.3313930000434557
Energy: 0.5198462070739231
Energy: 0.48013524958686227
Energy: 0.5225255907125912
Energy: 0.3170810222795035
Energy: 0.5225255907051055
Energy: 0.5808887675888886
Energy: 0.4679334564773398
Energy: 0.32846595259750305
Energy: 0.4679334564789439
Energy: 0.3721684546409627
Energy: 0.5365620795704185
Energy: 0.3186590097734144
Energy: 0.5365620795736267
Energy: 0.47066381583702244
Energy: 0.5172778078590821
Energy: 0.33154873208063385
Energy: 0.517277807862825
Energy: 0.3580114190563939
Energy: 0.5217699858758634
Energy: 0.4012404783531945
Energy: 0.5217699858758634
Energy: 0.4639735337768495
Energy: 0.5020974540576063
Energy: 0.3303777244843393
Energy: 0.5020974540613492
Energy: 0.3340211472352955
Energy: 0.5365544510288729
Energy: 0.427072537898691
Energy: 0.536554451030477
Energy: 0.34828506471283355
Energy: 0.5142697297270962
Energy: 0.33623685281977694
Energy: 0.5142697297265614
Energy: 0.3259803136490853
Energy: 0.5218477943114841
Energy: 0.4247065591380175
Energy: 0.5218477943082759
Energy: 0.34489021883961074
Energy: 0.5074226410963854
Energy: 0.359832817311062
Energy: 0.5074226410937118
Energy: 0.3295455695470749
Energy: 0.5364943666492683
Energy: 0.548290303957812
Energy: 0.5364943666492683

minimum gb energy = 0.31659939513299434 eV
minimum distance =  2.58276486657134 Angstroms
sigma value = 85


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

Energy: 0.4541839785415214
Energy: 0.4969957868104906
Energy: 0.4268896144291376
Energy: 0.49699578680956313
Energy: 0.6118656244605649
Energy: 0.4760299032666432
Energy: 0.30169971936967444
Energy: 0.47602990326617933
Energy: 0.4355442670368863
Energy: 0.4142260608223244
Energy: 0.392819642913697
Energy: 0.4142260608204695
Energy: 0.5739658515709144
Energy: 0.42840156097391696
Energy: 0.3016563480568549
Energy: 0.42840156097438076
Energy: 0.3432418459722637
Energy: 0.3532883432299015
Energy: 0.35051623295479684
Energy: 0.353288343230829
Energy: 0.544363300658948
Energy: 0.45840804745095004
Energy: 0.3016054671962421
Energy: 0.458408047452805
Energy: 0.3263074023571553
Energy: 0.4132593481608177
Energy: 0.3709710346885195
Energy: 0.4132593481626727
Energy: 0.4138179527973796
Energy: 0.42673019423830494
Energy: 0.30593510027862814
Energy: 0.4267301942420149
Energy: 0.3051105208983129
Energy: 0.3529923976052177
Energy: 0.4308995678741011
Energy: 0.352992397604754
Energy: 0.3615079214057924
Energy: 0.3657844978501196
Energy: 0.3263781761321076
Energy: 0.3657844978515108
Energy: 0.302769648877661
Energy: 0.430510433087963
Energy: 0.4779763525545114
Energy: 0.43051043308703546
Energy: 0.3109632971347037
Energy: 0.48439743035728966
Energy: 0.3433724732987792
Energy: 0.48439743036099964
Energy: 0.3013908474924993
Energy: 0.30822488343161814
Energy: 0.5219461657969185
Energy: 0.3082248834330094
Energy: 0.2876825865082325
Energy: 0.39309721849311524
Energy: 0.43294548907414876
Energy: 0.393097218493579
Energy: 0.3027273730003904
Energy: 0.4072803073533023
Energy: 0.554423031011398
Energy: 0.4072803073523748
Energy: 0.2867653846884536
Energy: 0.4903812360115691
Energy: 0.4226865469636796
Energy: 0.49038123601296035
Energy: 0.3013577985559836
Energy: 0.30910925099523573
Energy: 0.5346737267128738
Energy: 0.309109250994772
Energy: 0.3633397236624063
Energy: 0.45982130731853
Energy: 0.43295538613972595
Energy: 0.45982130731853
Energy: 0.3027230364432395
Energy: 0.40709519340927297
Energy: 0.5122404073270589
Energy: 0.4070951934088093
Energy: 0.3609165837838276
Energy: 0.4899297840859939
Energy: 0.34342506071070683
Energy: 0.4899297840869214
Energy: 0.30198430602640647
Energy: 0.31342232871843795
Energy: 0.4669731249559005
Energy: 0.3134223287179742
Energy: 0.38354076017278854
Energy: 0.40718068530886026
Energy: 0.3263694346036477
Energy: 0.40718068530886026
Energy: 0.30705138925986436
Energy: 0.40565435748496464
Energy: 0.41421377115993835
Energy: 0.4056543574826459
Energy: 0.3837497483452104
Energy: 0.4955765831301699
Energy: 0.30590389776721916
Energy: 0.49557658313109737
Energy: 0.3272724854160165
Energy: 0.33964197772871346
Energy: 0.3614562751521653
Energy: 0.33964197773242344
Energy: 0.4799504651540768
Energy: 0.45142342443132616
Energy: 0.30225405031097047
Energy: 0.45142342443132616
Energy: 0.34430547408087236
Energy: 0.47588174675769496
Energy: 0.3104952136534432
Energy: 0.4758817467586224
Energy: 0.4834735215261177
Energy: 0.4926779604897569
Energy: 0.3019287614886713
Energy: 0.4926779604892932
Energy: 0.43294845960537764
Energy: 0.3928187066520866
Energy: 0.3127605850509041
Energy: 0.3928187066520866
Energy: 0.554396805333928
Energy: 0.44895379345942155
Energy: 0.3022938752940297
Energy: 0.44895379346034897
Energy: 0.45155111999250397
Energy: 0.4933652523560715
Energy: 0.2868168422788543
Energy: 0.49336525235653517
Energy: 0.5247690010705505
Energy: 0.49259736580584723
Energy: 0.30178039033164095
Energy: 0.49259736580399227
Energy: 0.43284629473458386
Energy: 0.43820509917089306
Energy: 0.2882676051740462
Energy: 0.4382050991695018
Energy: 0.5139781551226681
Energy: 0.427487002607343
Energy: 0.30201570346062634
Energy: 0.427487002607343
Energy: 0.3441412034560905
Energy: 0.49415033999671215
Energy: 0.3606461949268368
Energy: 0.49415033999532093
Energy: 0.42137589570529993
Energy: 0.48372414692785143
Energy: 0.3032218447526059
Energy: 0.4837241469273877
Energy: 0.32730305146459615
Energy: 0.3618886602188582
Energy: 0.38302550138893526
Energy: 0.361888660219322
Energy: 0.4139992245326013
Energy: 0.40524743555718346
Energy: 0.30554212950001247
Energy: 0.40524743555579223
Energy: 0.3072566136675884
Energy: 0.4939304882969409
Energy: 0.3837000909992183
Energy: 0.4939304882964772
Energy: 0.315392892993374
Energy: 0.4682196898701371
Energy: 0.32883845345112733
Energy: 0.4682196898692096
Energy: 0.3014445081389146
Energy: 0.40715703058879404
Energy: 0.48005999603094957
Energy: 0.4071570305878665
Energy: 0.3104993971084457
Energy: 0.4756856949615603
Energy: 0.34592604421924306
Energy: 0.47568569496109653
Energy: 0.3026834642234399
Energy: 0.4936427463111875
Energy: 0.48352203544345507
Energy: 0.4936427463097963

minimum gb energy = 0.2867653846884536 eV
minimum distance =  2.58070318958078 Angstroms
sigma value = 113


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

Energy: 0.011810498514587512
Energy: 0.013508970360343962
Energy: 0.7268340256210772
Energy: 0.013508970360680656
Energy: 0.6174265263108716
Energy: 0.18368135361402987
Energy: 0.18350198747427177
Energy: 0.18368135361333665
Energy: 0.011810498514250816
Energy: 0.013508970360343962
Energy: 0.7268340256102634
Energy: 0.013508970361037157
Energy: 0.6174265263112282
Energy: 0.18368135361402987
Energy: 0.18350198747322208
Energy: 0.18368135361367338
Energy: 0.011810498514587512
Energy: 0.013508970360343962
Energy: 0.7268340256141057
Energy: 0.013508970361037157
Energy: 0.6174265263112282
Energy: 0.18368135361436658
Energy: 0.1835019874721724
Energy: 0.18368135361367338

minimum gb energy = 0.011810498514250816 eV
minimum distance =  2.83249381732342 Angstroms
sigma value = 1