Model name: model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614999085664749
cohesive_energy=3.5402517934376156
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4500211234222877e-19, 2.22186651249852e-19, 2.80006001617644e-19, 3.2500954109007e-19, 3.6110978500735796e-19, 3.908622051007379e-19, 4.15784062642608e-19, 4.36790200490982e-19, 4.54808278916946e-19, 4.70741925542076e-19, 4.851567087181739e-19, 4.982769331739999e-19, 5.1016187944501195e-19, 5.20832375827452e-19, 5.303108527941959e-19, 5.38621342994754e-19, 5.45792685608538e-19, 5.51848913285058e-19, 5.5682046738036e-19, 5.60742595780392e-19, 5.636697724907099e-19, 5.6566448240004e-19, 5.66803629986814e-19, 5.671657219060979e-19, 5.667876082204739e-19, 5.655731583319019e-19, 5.63382982873224e-19, 5.600440467679679e-19, 5.55335249640642e-19, 5.48979414933564e-19, 5.40620859433986e-19, 5.29796554094682e-19, 5.15921704444242e-19, 4.98265717937562e-19, 4.75960214839014e-19, 4.47978199926204e-19, 4.1306356671807596e-19, 3.6952762104239397e-19, 3.1497190447805995e-19, 2.46035050446942e-19, 1.581662364378264e-19, 4.5352173107984395e-20, -1.0030250577727259e-19, -2.8978568779157996e-19, -5.3950093796682e-19, -8.726863864201919e-19, -1.3218517992321898e-18, -1.94129334035244e-18, -2.8278257372436595e-18, -4.151800420515899e-18, -6.214474662660179e-18, -9.631757205318779e-18, -1.5870328604554318e-17, -2.91322175183586e-17]
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: -2.67105988788208e-05 eV

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

Energy: 0.01672172449061461
Energy: 0.01740347185500325
Energy: 0.32978389584827444
Energy: 0.9592356245207606
Energy: 0.7942060343779882
Energy: 0.28630841027341486
Energy: 0.01731833249783815
Energy: 0.01712687213349869
Energy: 0.6370560616812108
Energy: 0.2340000385353802
Energy: 0.3298974221765694
Energy: 0.08381034655102351
Energy: 0.017934595798177785
Energy: 0.08344171895212413
Energy: 0.01723461799902092
Energy: 0.6386156701081126
Energy: 0.20399100724926147
Energy: 0.3293543017164719
Energy: 0.6438744134501833
Energy: 0.08211396125701205
Energy: 0.08356316437350741
Energy: 0.01916256468587028
Energy: 0.3299371847087978
Energy: 0.33057078915311755
Energy: 0.9580670300745109
Energy: 0.7949971413955637
Energy: 0.08250819418055112
Energy: 0.01751716433933628
Energy: 0.08263839392815563
Energy: 0.8012629758863684
Energy: 0.2349781581758555
Energy: 0.329901725842806
Energy: 0.580618480417739
Energy: 0.017499863516010145
Energy: 0.08355948778742832
Energy: 0.017122735847808247
Energy: 0.6385329497852519
Energy: 0.3333832871352198
Energy: 0.3293954584926103
Energy: 0.6469849483253137
Energy: 0.08203266326484411
Energy: 0.08341075885663289

minimum gb energy = 0.01672172449061461 eV
minimum distance =  2.53097911221799 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.0533845943782145
Energy: 0.926361430295141
Energy: 1.073353980836817
Energy: 0.9867596104957618
Energy: 0.9883598684476856
Energy: 1.135253062518241
Energy: 0.9354775654917941
Energy: 0.9323976943724269
Energy: 0.993889023828587
Energy: 0.9306027415161165
Energy: 0.9752524848654395
Energy: 0.9693426395522994
Energy: 0.9433742797994051
Energy: 0.9914195464642245
Energy: 0.9250274977319879
Energy: 0.990281626593783
Energy: 0.9994261598270149
Energy: 0.968504512243279
Energy: 0.9816695560859734
Energy: 1.0451077324656088
Energy: 0.9530768153937133
Energy: 0.9401484202940955
Energy: 0.9825882248726605
Energy: 0.9477054221306659
Energy: 1.023207580490468
Energy: 1.0013420942026916
Energy: 0.9316756823035865
Energy: 0.9900064715325256
Energy: 1.0352872278399456
Energy: 0.9573503060259824
Energy: 0.9848381799490489
Energy: 0.9599346667431758
Energy: 1.0015175501186178
Energy: 0.9876382330846578
Energy: 0.9752368548473334
Energy: 0.9694857056984212
Energy: 0.9934789619543639
Energy: 0.934711942045898
Energy: 0.9350674936687743
Energy: 0.988804947626784
Energy: 0.9671717349463733
Energy: 0.9303755828269398
Energy: 0.9285229993072556
Energy: 1.0163774250299218
Energy: 1.0388873416974738
Energy: 0.9712319824933168
Energy: 0.9729456444420003
Energy: 1.0440067013680994
Energy: 1.0095531508830504
Energy: 0.969211023993365
Energy: 0.9462773609609619
Energy: 1.000005445454949
Energy: 1.0126121269632036
Energy: 0.9826983879638944
Energy: 0.9540578633993045
Energy: 1.0131009853252964
Energy: 0.9470532341933844
Energy: 0.9808537501195707
Energy: 0.9899396311387899
Energy: 0.9675758454703193
Energy: 1.019394273035497
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Energy: 0.977621855472937
Energy: 0.9429577535206737
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Energy: 0.9808356529888304
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Energy: 0.9836272364876036
Energy: 1.0078663946527027
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Energy: 1.0462905373299989
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Energy: 0.9697258338286774
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Energy: 1.0213292492625103
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Energy: 0.9382023797393686
Energy: 1.0114708259742193
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Energy: 0.9354012712536505
Energy: 0.9833964397859124
Energy: 0.9457080328936757
Energy: 0.9775162858989848
Energy: 0.9669784866175428
Energy: 1.0185497098964171
Energy: 0.9986998830541028
Energy: 0.9540243489505297
Energy: 0.9803873969505973
Energy: 1.026373820018396
Energy: 1.0033818865484865
Energy: 0.9729012222767949
Energy: 1.040455159923165
Energy: 1.0326578707745326
Energy: 1.1057164061662463
Energy: 1.0386214288589588
Energy: 0.9300560641167493
Energy: 0.9381844261038012
Energy: 0.9477383443409266
Energy: 0.9834362645264153
Energy: 0.978620865618326
Energy: 0.9666022060195693
Energy: 0.9734082423403453
Energy: 0.9397570672494296
Energy: 0.9952223818666457
Energy: 1.0064330403827382
Energy: 1.0273671903210575
Energy: 1.0104993358532108
Energy: 0.971279127446742
Energy: 0.9618771114422686
Energy: 0.9877138681424784
Energy: 0.9893353790364248
Energy: 0.954887513392122
Energy: 1.0241634599933322
Energy: 1.0016775062791563
Energy: 0.9765310427726163
Energy: 1.013200094936387
Energy: 0.9428487401064511
Energy: 0.9590272662929592
Energy: 0.9908939319177961
Energy: 1.0040220039279988
Energy: 0.9985336565314421
Energy: 1.09691140119668
Energy: 1.0106302243646008
Energy: 0.9623120015423495
Energy: 1.0160297549825703
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Energy: 0.9974414332563943
Energy: 0.9834138936119379
Energy: 0.9444721522062868
Energy: 0.9735550434933966
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Energy: 0.9736398134181494
Energy: 0.988648883034072
Energy: 1.0175499062639226
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Energy: 0.9999838183868126
Energy: 0.9893456680089457
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Energy: 1.035185103983561
Energy: 0.9446275326268082
Energy: 0.9376153349267263
Energy: 1.0367594542372822
Energy: 0.9842314721175139
Energy: 1.0100058461531038
Energy: 1.1005758075289962
Energy: 0.9641994767651775
Energy: 0.9925968629814854
Energy: 1.0108629521017207
Energy: 1.016066890038095
Energy: 1.0173026438273964
Energy: 0.9605028907521193
Energy: 0.9526270950524341
Energy: 1.0568678372854774
Energy: 0.9279825377315106
Energy: 0.9344343860157583
Energy: 1.0153506615135373
Energy: 0.9265115411325597
Energy: 0.9740451147380675
Energy: 1.021828675129844
Energy: 0.9822505579632489
Energy: 1.0704698101670085
Energy: 0.990384444630829
Energy: 0.9883583290297251
Energy: 1.0290466828874192
Energy: 0.9971981691261369
Energy: 0.9300407159502243
Energy: 0.9856581705180583
Energy: 0.9414675619514233
Energy: 0.9303452968133114
Energy: 0.940604302281875
Energy: 0.9507737888993233
Energy: 0.9920864143218905
Energy: 0.9556852654922676
Energy: 0.9984387422803231
Energy: 1.0421209638905453
Energy: 0.9770813134302896
Energy: 0.9766708998208212
Energy: 1.0653402875229538
Energy: 0.956424949839723
Energy: 0.9386306408606608
Energy: 1.0139977557380209
Energy: 0.9382045439602439
Energy: 0.9674929202286021
Energy: 0.9641108026416622
Energy: 0.9418184340677271
Energy: 1.0106699577027052
Energy: 0.9678074213245089
Energy: 0.9566596671446163
Energy: 1.0069470146297896
Energy: 0.9601723334490823
Energy: 0.9472166777452541
Energy: 0.9877425201782224
Energy: 0.9671258065642739
Energy: 0.966365300444308
Energy: 0.9927145257073995
Energy: 1.007279251879468
Energy: 0.9358639416773123
Energy: 0.9690676145389246
Energy: 0.9690494345512259
Energy: 0.9723054653245117
Energy: 0.9280462233052786
Energy: 1.017080920194209
Energy: 1.0204222951357143
Energy: 0.9685976120649566
Energy: 0.9751180348101438
Energy: 0.9260776843593818
Energy: 1.0309411775470132
Energy: 1.0214427861183715
Energy: 1.005319813800712
Energy: 0.9942396981946813
Energy: 1.006159255693594
Energy: 0.9756383022543176
Energy: 1.009573519290162
Energy: 0.9957907621773817
Energy: 0.9474135587239889
Energy: 0.9825089153252207
Energy: 0.9464124706153519
Energy: 0.9643427859392095
Energy: 0.9633995617168214
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Energy: 0.994612488720686
Energy: 0.9463196560175056
Energy: 0.9445697164573672
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Energy: 1.062416822481543
Energy: 1.0403495636795344
Energy: 1.0481846592790711
Energy: 0.9905728379814065
Energy: 0.9518365819270017
Energy: 1.0334864073511063
Energy: 0.9245222462766095
Energy: 0.9773228634620666
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Energy: 0.9424291738994462
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Energy: 1.0057697811361614
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Energy: 1.00934525208192
Energy: 1.0441372341230373
Energy: 0.9297304385364737
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Energy: 0.9754816692287178
Energy: 0.9932191452568765
Energy: 0.9415749914755496
Energy: 0.9744633119142513
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Energy: 0.9759016442625277
Energy: 0.999169359657265
Energy: 1.0284900253210876
Energy: 0.970741448196669
Energy: 1.0062720488567194
Energy: 1.0449597427561503
Energy: 1.0238390697024649
Energy: 0.9638677787165283
Energy: 1.0200019443951927
Energy: 0.9453434704960194
Energy: 0.9853107562709233
Energy: 0.9432372316226985
Energy: 0.9891115762621462
Energy: 0.9776689980721773
Energy: 0.969092983425116
Energy: 0.9411799513624386
Energy: 0.9649206985104996
Energy: 1.0104623575015104
Energy: 1.0516402348940561
Energy: 0.9961579835859262
Energy: 0.9863491511468878
Energy: 1.032002563129294
Energy: 0.9461681879505558
Energy: 0.9833843821195741
Energy: 0.9329370782178722
Energy: 0.9881618985302586
Energy: 0.9787613860629312
Energy: 1.0022285704109772
Energy: 1.0211006693344502
Energy: 1.0089814485785138
Energy: 0.9308988303882048
Energy: 0.9638106594525988
Energy: 0.9411169150621295
Energy: 0.9824912998033706
Energy: 1.02638082554105
Energy: 1.098199459473437
Energy: 0.9794671097459147
Energy: 0.9258096543060554
Energy: 0.9757645242171357
Energy: 0.9324682490774969
Energy: 0.9304909735817
Energy: 0.9646912967227071
Energy: 0.9424644127525384
Energy: 0.987322507127252
Energy: 1.060682684224089
Energy: 0.9844689054300892
Energy: 0.9915719051112983
Energy: 1.0178930593458548
Energy: 1.0090147742314466
Energy: 0.966851576450594
Energy: 1.0033595544965541
Energy: 0.9545322400261218
Energy: 0.9892757549308354
Energy: 0.9266855431604467
Energy: 0.9484841269725406
Energy: 0.9774393207363987
Energy: 0.9634181259712982
Energy: 0.9880984396410807
Energy: 1.0093675660875845
Energy: 1.0080696905862696
Energy: 0.9904589080259156
Energy: 1.0148336226069505
Energy: 0.9848030341387378
Energy: 0.9824557565588952
Energy: 1.0025934194602362
Energy: 0.955021326144426
Energy: 0.9992410885283544
Energy: 0.929145550549526
Energy: 0.9441243207887849
Energy: 0.9407428323355125
Energy: 0.9301302183662014
Energy: 0.9378433781622705
Energy: 0.9410322755422997
Energy: 1.0256792011271239
Energy: 1.034173830308192
Energy: 0.9844535334058276
Energy: 0.9876957019443722
Energy: 0.9997936536305809
Energy: 0.9737355153923996

minimum gb energy = 0.9245222462766095 eV
minimum distance =  2.28701666843682 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.0027250584862304
Energy: 0.9608672818330869
Energy: 1.0271060116995672
Energy: 0.9804045734682765
Energy: 1.1678266532747112
Energy: 0.9879971865771705
Energy: 0.9957848393370734
Energy: 0.9534468025616595
Energy: 0.9574304327447938
Energy: 0.9467465788222
Energy: 0.9383174045236721
Energy: 0.9422514497580193
Energy: 1.0131084459679562
Energy: 0.9681133862617372
Energy: 0.9373047628166543
Energy: 0.998496677469299
Energy: 0.9586488582627224
Energy: 0.9480599517012764
Energy: 0.9987417423044532
Energy: 1.0060252289585203
Energy: 0.987440232131984
Energy: 1.0214409053156426
Energy: 0.9944683355704977
Energy: 0.9470104331986284
Energy: 0.9387802670190648
Energy: 0.9542900509598568
Energy: 0.948127317930025
Energy: 0.9556374631449686
Energy: 1.0710705322451648
Energy: 0.9794235771078651
Energy: 0.9425120408260849
Energy: 0.9624866531752074
Energy: 0.9328712918064342
Energy: 0.9254231670877332
Energy: 0.9862766210266993
Energy: 0.9484307391076109
Energy: 0.9913757798992229
Energy: 0.9541442731393572
Energy: 0.9628576530464774
Energy: 0.9307780036155688
Energy: 0.9585131281248831
Energy: 0.9739894688992483
Energy: 0.9970443989648186
Energy: 1.0201309016988789
Energy: 0.945588986285457
Energy: 0.948011127230862
Energy: 0.9807039710357573
Energy: 0.9503184746511482
Energy: 0.9980008077066179
Energy: 0.9719210092916722
Energy: 0.9826854150772547
Energy: 0.9825868682061899
Energy: 0.9498777028428734
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Energy: 1.0118999154081636
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Energy: 1.06398595026833
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Energy: 0.9925441052172828
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Energy: 0.9952885996545449
Energy: 1.0764797458167112
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Energy: 0.9896577802541731
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Energy: 1.0004694110718815
Energy: 1.0814014211696343
Energy: 1.022686598107281
Energy: 0.9684970907288725
Energy: 0.9556333968375837
Energy: 0.938958169067104
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Energy: 0.9936151427033566
Energy: 1.0674405653315395
Energy: 0.9951497047296113
Energy: 0.9577495707760052
Energy: 0.9547773774157733
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Energy: 0.9538543565939644
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Energy: 0.9534538268979188
Energy: 0.9474555990724278
Energy: 0.9270682146876679
Energy: 0.9576279348421317
Energy: 1.0070695409455679
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Energy: 1.0162338664949266
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Energy: 0.9985436936517947
Energy: 0.9914217226508502
Energy: 0.9779725222524939
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Energy: 0.9802763384084899
Energy: 1.0203877342995575
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Energy: 0.9445957162820353
Energy: 0.9401854898617513
Energy: 0.988139408470205
Energy: 0.9314658886468116
Energy: 0.9647906048407636
Energy: 0.9360053384376052
Energy: 0.9386804316713591
Energy: 0.9368216279402517
Energy: 0.9910943551873456
Energy: 1.0120755483381847
Energy: 0.9898668877282136
Energy: 0.958257330043605
Energy: 0.9433101156797141
Energy: 0.9395631602298301
Energy: 0.938688267547334
Energy: 0.9435833146024427
Energy: 0.9924205648290632
Energy: 0.9507714791446912
Energy: 0.9768727033567524
Energy: 0.9472601632729006
Energy: 0.9425341541301671
Energy: 0.9853036649389505
Energy: 1.0002919344225607
Energy: 0.9900215264038994
Energy: 0.9393533313129929
Energy: 0.9646212840624674
Energy: 1.0022005203487039
Energy: 0.9454419667600905
Energy: 0.9483303511167056
Energy: 1.002119594845708
Energy: 0.9826266337245275
Energy: 0.9785829130722109
Energy: 0.9972641107429433
Energy: 0.9866963588932091
Energy: 1.017392106279083
Energy: 0.9868073161150653
Energy: 1.0158714513532854
Energy: 0.9728068217631035
Energy: 0.9490654003743885
Energy: 0.929109034084513
Energy: 0.9462480455771518
Energy: 0.9615343928041837
Energy: 1.0664700836049086
Energy: 1.003997460191374
Energy: 0.9636863660611542
Energy: 0.9550488244285145
Energy: 0.9269099464304514
Energy: 0.925475561349396
Energy: 1.0254940817325913
Energy: 1.0484882108053264
Energy: 0.979382047848395
Energy: 0.9610492325106337
Energy: 0.9466123592161866
Energy: 0.9257705750929495
Energy: 0.9482551208312864
Energy: 0.9745717206169305
Energy: 1.0109997214082846
Energy: 1.0030252557024368
Energy: 0.9623915650689032
Energy: 0.9432833028008347
Energy: 0.9638819701937043
Energy: 0.9906576302501654
Energy: 0.9620260649221981
Energy: 0.9422049963587488
Energy: 0.9804856151437151
Energy: 0.9791886746335254
Energy: 0.9432347446523582
Energy: 0.9553304763836374
Energy: 1.0281184959428986
Energy: 0.9746436196508663
Energy: 0.9790831853033034
Energy: 0.9995320389249223
Energy: 0.989188253525176
Energy: 0.9401019301245684
Energy: 0.9454696442667329
Energy: 0.9340675854674577
Energy: 0.9374005109804333
Energy: 0.9385586369719863
Energy: 0.9422283353772787
Energy: 1.0048549980320194
Energy: 0.9428184539897757
Energy: 0.946757493426483
Energy: 0.9448645882637235
Energy: 0.9407282959508494
Energy: 0.9368498148739693
Energy: 0.998527619645583
Energy: 1.0011056118603476
Energy: 0.9894229528410717
Energy: 0.9778243449887527
Energy: 0.9544864121209309
Energy: 0.9383828455600342
Energy: 0.9593083626351808
Energy: 0.9386090924678018
Energy: 0.990216172808356
Energy: 0.9305238128537177
Energy: 0.9383578950400775
Energy: 0.9999956090317754
Energy: 0.9399083248093688
Energy: 0.9346273280775937
Energy: 0.9982765922928185
Energy: 0.9421477970792288
Energy: 0.9778923943694986
Energy: 0.9800159343727254
Energy: 0.9747703436654751
Energy: 1.0061996841212995
Energy: 0.9650444365092402
Energy: 0.9698622127518639
Energy: 0.9841948932782116
Energy: 0.9511106512394819
Energy: 0.9487562984605848
Energy: 0.9852823203657578
Energy: 0.9720097510079777
Energy: 1.0920424266357436
Energy: 1.0056405166691231
Energy: 1.000871662705979
Energy: 0.9808594852412423
Energy: 0.9271952435534458
Energy: 0.9290702831335982
Energy: 1.0175837291401184
Energy: 0.9571804927542277
Energy: 0.974495218449166
Energy: 0.9509073495769569
Energy: 0.9522576195995137
Energy: 0.9291712031230277
Energy: 0.9500518133027335
Energy: 1.0261437408963434
Energy: 0.9547969477048659
Energy: 1.002374406688861
Energy: 0.9403472786828503
Energy: 0.9635619793944719
Energy: 0.9331073189258163
Energy: 0.9496945232780333
Energy: 0.9897439226356979
Energy: 0.96580910087345
Energy: 0.9787172194163876
Energy: 0.9690722438019143
Energy: 0.9396937939710371
Energy: 0.99611541752869
Energy: 1.0068315682653064
Energy: 0.9407910511425364
Energy: 0.9504018151284901
Energy: 0.9955114548525332
Energy: 0.9941045618787983
Energy: 0.9625786372985247
Energy: 0.9945571686990442
Energy: 0.9513473821583772
Energy: 0.9474085392036986
Energy: 0.9458826536586235
Energy: 0.9539356951496036
Energy: 0.9617781781423782
Energy: 0.9402284347834456
Energy: 0.9605225676489433
Energy: 0.9619729226868138
Energy: 0.9798726370151738

minimum gb energy = 0.9254231670877332 eV
minimum distance =  2.2944669390134 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.9730177865368805
Energy: 0.9356844143282362
Energy: 1.032155366527841
Energy: 0.9447933020771055
Energy: 0.9945099043579501
Energy: 1.0080721037632439
Energy: 0.964483326109011
Energy: 0.9779582272099469
Energy: 0.9603772200319806
Energy: 0.9689314218649255
Energy: 0.9688111012258479
Energy: 0.9797835465870105
Energy: 0.9745775069521428
Energy: 0.9772215081839851
Energy: 1.0185239292121477
Energy: 0.9721247620347829
Energy: 0.9632908881268641
Energy: 0.9688676359186165
Energy: 0.9847819476519416
Energy: 0.9688707601147846
Energy: 0.9774195733547499
Energy: 0.9780654014633992
Energy: 0.9777711067504661
Energy: 0.9655419937073015
Energy: 1.0325622832031383
Energy: 1.041167886860833
Energy: 0.9586018742243511
Energy: 0.9819089532027293
Energy: 0.9876102621408909
Energy: 0.9667059987577928
Energy: 1.031752237350311
Energy: 0.9959760873348326
Energy: 1.0183398160512818
Energy: 0.9731317709904019
Energy: 0.9848870203527038
Energy: 0.9668413140415424
Energy: 0.9792240116216968
Energy: 0.9637028782718599
Energy: 0.9523136921080616
Energy: 0.9737028979980208
Energy: 0.9583984106723948
Energy: 1.0025861609725475
Energy: 1.0189694530799356
Energy: 0.9741160244922359
Energy: 0.992993588888475
Energy: 0.9374412607701936
Energy: 0.9602232590560785
Energy: 0.9650247510631867
Energy: 0.9314264528767024
Energy: 0.9816912744338978
Energy: 0.9924031800170152
Energy: 1.002997321773596
Energy: 1.036359658088405
Energy: 1.0105391211557635
Energy: 0.9640105946462899
Energy: 0.9621047818893633
Energy: 1.0041864547051773
Energy: 1.0205565640606917
Energy: 0.9795510031826203
Energy: 0.9896012603499783
Energy: 0.9881204528983364
Energy: 0.9742066961718746
Energy: 0.9873787789636894
Energy: 0.9599871628901525
Energy: 1.0214759132912687
Energy: 0.9660854427941998
Energy: 1.006374973372872
Energy: 0.9733275724078928
Energy: 0.9612323106228892
Energy: 0.9873007433403056
Energy: 0.9851185964530227
Energy: 1.0059250787581149
Energy: 1.0136216052477829
Energy: 1.0729174201076936
Energy: 1.0150281960324832
Energy: 0.9913511131976139
Energy: 0.9805132748895868
Energy: 0.9590148107393582
Energy: 0.9880626364036756
Energy: 0.9723558422893963
Energy: 0.9524857170526423
Energy: 0.9691832538177932
Energy: 0.9611375331513468
Energy: 0.9934204014596606
Energy: 0.9897532516874405
Energy: 1.0460804621311834
Energy: 0.9946878879937541
Energy: 0.941793395882602
Energy: 0.9752728616938338
Energy: 0.9437419765086581
Energy: 0.9655827153349383
Energy: 0.9924083651396362
Energy: 1.0222595272882338
Energy: 0.9945900828819407
Energy: 1.0263441445757078
Energy: 1.073327872007838
Energy: 1.0262637735828413
Energy: 1.061293760724056
Energy: 0.988126855385238
Energy: 0.9904971460999289
Energy: 0.9998449352233592
Energy: 0.94714740624627
Energy: 0.9518206492049649
Energy: 0.9576250988120482
Energy: 0.9603595900331193
Energy: 0.951395250400692
Energy: 0.9366586303065392
Energy: 0.9515922191672146
Energy: 0.9590557471427651
Energy: 0.9745261079014177
Energy: 0.9380992299519378
Energy: 1.0167968706991426
Energy: 0.990367303959214
Energy: 1.0057552172698483
Energy: 0.9840448271222221
Energy: 0.9805054750208938
Energy: 1.0122653195390967
Energy: 0.9730244901462067
Energy: 1.0101256090584272
Energy: 0.9362056434970883
Energy: 0.9738668059116581
Energy: 0.9512509932510079
Energy: 0.964016735059486
Energy: 0.9757149853807316
Energy: 0.9509700744514921
Energy: 0.9841410000579535
Energy: 1.0354155439521984
Energy: 1.004601062509277
Energy: 0.9882466596776094
Energy: 0.962630523866646
Energy: 0.9811427069214611
Energy: 0.9936535680090635
Energy: 1.0012563528070832
Energy: 1.0491533257431351
Energy: 1.0263690863469812
Energy: 0.9641982644972724
Energy: 1.0301209342869295
Energy: 1.0972508839255823
Energy: 1.0406404069893667
Energy: 1.0455459339185014
Energy: 0.9958310622563312
Energy: 1.0055994702611495
Energy: 0.9901342770544973
Energy: 0.960074864723971
Energy: 0.9927068789337389
Energy: 0.9656902028341245
Energy: 1.011909253708413
Energy: 0.9636443371667481
Energy: 1.017867566442521
Energy: 0.9702519533793201
Energy: 0.9530590750201849
Energy: 0.9693677763714326
Energy: 0.9564035730688805
Energy: 0.9661510515630635
Energy: 0.9892359535314534
Energy: 1.009055737326638
Energy: 1.04137498996858
Energy: 1.0073792773441774
Energy: 1.0233184991631115
Energy: 1.0092567231026102
Energy: 0.9881506084069398
Energy: 1.0038770748765464
Energy: 1.0041128293803354
Energy: 0.9668529856421381
Energy: 0.9495505442508737
Energy: 0.9574545692188106
Energy: 0.9533795220417479
Energy: 0.9836582264397741
Energy: 1.0204839944841504
Energy: 1.0259671985556218
Energy: 1.0213311412928705
Energy: 0.9469356847853309
Energy: 0.9741758114962282
Energy: 0.9801177932723962
Energy: 0.9670835638295727
Energy: 1.0412696418752807
Energy: 1.012121710200363
Energy: 1.005225731845997
Energy: 1.0362778961993488
Energy: 1.0573931300642483
Energy: 1.0088613011665657
Energy: 1.0831608083940696
Energy: 1.015052709911813
Energy: 0.981070241615909
Energy: 0.989150696760561
Energy: 0.9475093765127293
Energy: 0.9834282714460448
Energy: 0.9962137069611872
Energy: 1.0104836707589433
Energy: 0.9595276200253052
Energy: 0.9826886528555782
Energy: 0.9718464906610121
Energy: 0.9544384711532742
Energy: 0.9945578520928962
Energy: 0.962019515046085
Energy: 0.9575228211962181
Energy: 0.9903887568232346
Energy: 1.0011563805033237
Energy: 0.9903522298024663
Energy: 1.135685250510271
Energy: 0.9781124204403576
Energy: 0.9821889566054762
Energy: 1.023990648322157
Energy: 0.9494862652481547
Energy: 1.0279706274076725
Energy: 1.0068077598768899
Energy: 0.9725794864943342
Energy: 1.0192581617881962
Energy: 0.9764859367740937
Energy: 0.9792804525473539
Energy: 1.035457164893625
Energy: 0.9782560459087218
Energy: 0.9712948272999994
Energy: 0.9498065162878621
Energy: 0.9800726869719405
Energy: 0.969435477979986
Energy: 1.0017910581893739
Energy: 0.9789165843383726
Energy: 1.0016626411011191
Energy: 1.004405982369267
Energy: 1.0424455068529768
Energy: 1.047611568695226
Energy: 1.0445028964055973
Energy: 1.0246012765777215
Energy: 1.008097994348675
Energy: 0.9573215036783298
Energy: 0.9824217063725919
Energy: 0.9626525772785243
Energy: 0.9624992473435021
Energy: 0.9751867984193209
Energy: 1.0087683986811726
Energy: 0.9714055289835712
Energy: 0.9827090317453308
Energy: 0.9728473417413889
Energy: 0.9587756054849318
Energy: 0.9798972944860882
Energy: 0.9686208454887886
Energy: 1.0156256285734262
Energy: 0.9734616699684353
Energy: 0.988418375271287
Energy: 1.0081903974168862
Energy: 0.9900154457402788
Energy: 0.9842034399242132
Energy: 0.9909796386455488
Energy: 1.011182225232225
Energy: 0.9827970273888522
Energy: 0.9959304016728986
Energy: 1.0054161392290288
Energy: 1.0285832349026982
Energy: 0.9849989935878131
Energy: 1.010083235508116
Energy: 0.9928210220260258

minimum gb energy = 0.9314264528767024 eV
minimum distance =  2.29413113475876 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.9016250226566574
Energy: 0.9325063104143229
Energy: 1.227505454210465
Energy: 1.1015927837207433
Energy: 0.9830154173431502
Energy: 1.0183002361314195
Energy: 0.8868530168026778
Energy: 0.8980931260104038
Energy: 0.9796163346139535
Energy: 1.0170340575463641
Energy: 1.0013047998208098
Energy: 0.9495452112991559
Energy: 0.9590197318564614
Energy: 0.9635931132354513
Energy: 0.9558547373300583
Energy: 0.9386748996482541
Energy: 0.9435113161269002
Energy: 0.990515498376016
Energy: 0.9499016585578159
Energy: 0.957169000826555
Energy: 0.9551705263758771
Energy: 0.9508390596342484
Energy: 0.9342010783880993
Energy: 1.0150296741696878
Energy: 0.9492753834000321
Energy: 0.988293677581172
Energy: 1.0347082185126848
Energy: 1.0241200382424847
Energy: 0.9577053731188734
Energy: 0.9481001649340043
Energy: 1.0238911180662746
Energy: 0.948114476614053
Energy: 0.9941737463946884
Energy: 1.0165406429975308
Energy: 0.9566004164438644
Energy: 0.8859534991650673
Energy: 0.9497309331326804
Energy: 0.9442109095129354
Energy: 0.9386420029516159
Energy: 0.9824862203135334
Energy: 0.9554889593862953
Energy: 0.965542923026382
Energy: 0.9516276048764906
Energy: 0.968175849671785
Energy: 0.9431622688391991
Energy: 0.9767027273179655
Energy: 0.8882642336390301
Energy: 0.8906142943706132
Energy: 0.956671329369456
Energy: 0.8887241364012325
Energy: 0.981061512074138
Energy: 1.0386944783312586
Energy: 0.9381535544328782
Energy: 1.0324243353893598
Energy: 0.9463609861536725
Energy: 0.9596776269368613
Energy: 0.8889099548889895
Energy: 0.9838351602819301
Energy: 1.0228929978543
Energy: 0.9389535180682101
Energy: 0.9477996456666767
Energy: 0.9479838443332856
Energy: 1.0416418101703335
Energy: 0.9512269685829194
Energy: 0.9697585465415274
Energy: 1.0338386108810511
Energy: 0.987901865568622
Energy: 0.9502618240072915
Energy: 0.95537535122989
Energy: 0.955224794095164
Energy: 0.9527239169553146
Energy: 0.9357309997833062
Energy: 0.9444844414627763
Energy: 0.9356946285105965
Energy: 0.9482667394680203
Energy: 0.9673647780727963
Energy: 1.0142832190625408
Energy: 0.9679529109302065
Energy: 0.9511848622812041
Energy: 1.0106706385684514
Energy: 0.9376601177625147
Energy: 0.9979349802947052
Energy: 1.034298477511226
Energy: 0.9603226326481098
Energy: 0.8884102613902892
Energy: 0.9484705157924975
Energy: 1.0329298601064882
Energy: 0.9493373787897714
Energy: 1.0261373557856086
Energy: 1.0337463110068972
Energy: 0.956072988280068
Energy: 0.9504476863856943
Energy: 0.9370360996865239
Energy: 0.9445615113019631
Energy: 1.0215508785820124
Energy: 0.8875833780316177
Energy: 0.8881760178795459
Energy: 0.9567595861058136
Energy: 0.8863514925968401
Energy: 0.968058683603649
Energy: 0.9450814941379345
Energy: 0.9987292316780527
Energy: 0.8868640681298046
Energy: 0.8877356845667093
Energy: 0.9652762574307436
Energy: 0.8876479561955644
Energy: 0.9716910430961306
Energy: 0.9855109119943666
Energy: 0.9466390490235715
Energy: 0.9837305317589291
Energy: 1.0174965409384369
Energy: 0.8870396776800238
Energy: 0.9570099122542859
Energy: 0.9794819357752939
Energy: 1.0169222248188647
Energy: 0.9981619545223084
Energy: 0.949415662799841
Energy: 0.9584711435920084
Energy: 0.9656595440580443
Energy: 0.9567766219643691
Energy: 0.9376418292051225
Energy: 0.9445395615479041
Energy: 0.9901261517457162
Energy: 0.9499698208697055
Energy: 0.9571910551378202
Energy: 0.9552555258282368
Energy: 0.9509717862093161
Energy: 0.9372986066924722
Energy: 1.0144992898793017
Energy: 0.9495369471377907
Energy: 0.9887243866110468
Energy: 1.0348799530592918
Energy: 1.0787759977675684
Energy: 0.9570283643842636
Energy: 0.9482367927024413
Energy: 1.0240872183142045
Energy: 0.947888558217795
Energy: 0.9930026593164728
Energy: 1.0162437545042713
Energy: 0.956696744674376
Energy: 0.8859211947487958
Energy: 0.9499170124011905
Energy: 0.9441964317815295
Energy: 0.9377155963959178
Energy: 0.9826470027743269
Energy: 0.8868679225588876
Energy: 0.9655356138073521
Energy: 0.9513738709728728
Energy: 0.9679451687076667
Energy: 0.9431693067800662
Energy: 1.0000974893662962
Energy: 0.8884548080839021
Energy: 0.8907916400863736
Energy: 0.956383697960669
Energy: 0.8883551554405288
Energy: 0.9856099124660123
Energy: 1.0391162774936562
Energy: 0.9371695847815019
Energy: 1.0316168867262878
Energy: 0.9485099795984644
Energy: 0.9551179747087554
Energy: 0.8891444158677341
Energy: 0.9837816427616121
Energy: 1.0228086404389527
Energy: 0.9383940072178477
Energy: 0.9479762384900133
Energy: 0.9466918864888121
Energy: 0.9651529662715469
Energy: 0.9515140104733156
Energy: 0.9696079132537162
Energy: 1.0338859003691834
Energy: 0.9878912827957832
Energy: 0.9501733378417113
Energy: 0.9553320435793106
Energy: 0.9552767474296684
Energy: 0.9522512794225226
Energy: 0.9356715775423455
Energy: 0.9446500842632968
Energy: 0.9361288054262646
Energy: 0.9479471429391327
Energy: 0.943924193879126
Energy: 1.0135332929727603
Energy: 0.9687454316512325
Energy: 0.9513486096199701
Energy: 1.016311347323225
Energy: 0.937842241440954
Energy: 0.9981016543911776
Energy: 0.9502245734680905
Energy: 0.96076059706883
Energy: 0.8890443717454224
Energy: 0.9486789545142026
Energy: 1.032569857727409
Energy: 0.9494577885150073
Energy: 1.026317900393734
Energy: 1.0328930782194754
Energy: 0.9560741346826828
Energy: 0.9505054362051157
Energy: 0.9375070345974741
Energy: 0.9443229138489074
Energy: 1.0220665432000546
Energy: 0.8875427384720465
Energy: 0.8880470444969977
Energy: 0.9586135604546434
Energy: 0.8858103556419625
Energy: 0.9672217134193298
Energy: 0.9451218962353211
Energy: 0.9372400168964646
Energy: 0.8869536761956843
Energy: 0.8876065250374084
Energy: 0.9633696078906212

minimum gb energy = 0.8858103556419625 eV
minimum distance =  2.3079183182927 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.1359950714544926
Energy: 1.076712299089785
Energy: 0.9633615276951714
Energy: 1.2477794242947824
Energy: 0.9208474639663352
Energy: 0.9200808611397397
Energy: 1.1143504678267224
Energy: 0.9492752412668971
Energy: 0.8907382424490984
Energy: 1.1231636111425498
Energy: 0.9651903497366332
Energy: 0.8948413243408513
Energy: 1.037106771006776
Energy: 0.9397402424688801
Energy: 0.9191196830283014
Energy: 0.937604661190926
Energy: 0.9649270917749689
Energy: 0.933641455129961
Energy: 0.9993381150513552
Energy: 1.0233431935681885
Energy: 1.0561242283524948
Energy: 1.1513713159903878
Energy: 0.8949785679926678
Energy: 0.9703579268433359
Energy: 0.9558142518053355
Energy: 0.9013146802756811
Energy: 0.9289996262770478
Energy: 0.9311983321480174
Energy: 0.9130209600184366
Energy: 0.8794291100307777
Energy: 0.9470547910515084
Energy: 0.9117683908427412
Energy: 0.8943482026119315
Energy: 0.9388699002079586
Energy: 0.9425378385122911
Energy: 0.8903893710682694
Energy: 0.888658655744301
Energy: 0.9533103881258782
Energy: 0.9135608193303685
Energy: 0.9354539902041182
Energy: 0.9398797973395372
Energy: 0.937824052142076
Energy: 1.0287754492551535
Energy: 0.9116877924152236
Energy: 0.9293989237596819
Energy: 0.9292257337947738
Energy: 0.8892812851116073
Energy: 0.8901130461171114
Energy: 0.9547660007118439
Energy: 0.9195305533693043
Energy: 0.8946143488885211
Energy: 0.9770973782942338
Energy: 0.978925769833559
Energy: 0.939620220658333
Energy: 0.912494632423958
Energy: 0.9429836935734317
Energy: 0.9280202472289742
Energy: 0.9342939027307391
Energy: 0.946400591597296
Energy: 0.9563423532049216
Energy: 0.8941013451425931
Energy: 1.058822241633643
Energy: 0.9381240527197953
Energy: 1.022362106355624
Energy: 0.99645512568468
Energy: 0.9470385368154953
Energy: 1.0765561317340544
Energy: 0.9199914517654043
Energy: 0.9820350604613829
Energy: 1.0375525449366032
Energy: 0.9202358722617949
Energy: 0.9221246732155756
Energy: 0.9616058598017089
Energy: 0.9798112704882598
Energy: 0.8956252195676347
Energy: 0.8897845587484579
Energy: 0.9416287860652183
Energy: 0.9197809012175426
Energy: 0.8896917071020976
Energy: 1.0780079711435633
Energy: 0.9324350070492979
Energy: 1.1123727570770097
Energy: 1.1129663589880385
Energy: 1.0557416782941325
Energy: 1.1152194366745227
Energy: 1.024112253479588
Energy: 0.933597893788142
Energy: 1.0772172625350696
Energy: 0.9437924244469482
Energy: 0.9275667537699215
Energy: 0.9253173962926784
Energy: 1.1116660208160687
Energy: 0.9599341702830353
Energy: 0.9507244128744912
Energy: 0.9389962600382198
Energy: 0.95327897643568
Energy: 0.9616903044149935
Energy: 0.9436543868636855
Energy: 0.9195124340393406
Energy: 0.8900590526531929
Energy: 1.0603040533411667
Energy: 0.9326392484187728
Energy: 1.1684215356338994
Energy: 1.1526064010499835
Energy: 1.084449906712482
Energy: 1.151363686522538
Energy: 0.8899845694923956
Energy: 0.9700876254974081
Energy: 0.9563384261576732
Energy: 0.8534603631629043
Energy: 0.9803822182578232
Energy: 0.9656516509303871
Energy: 0.9124766061075678
Energy: 1.0167720869469523
Energy: 0.9512383745693516
Energy: 0.9141962775836295
Energy: 0.9013334637999945
Energy: 0.9329290997998816
Energy: 0.944560925343736
Energy: 0.8903210155266937
Energy: 0.9280007476477481
Energy: 0.9844729277120128
Energy: 0.9272691151277019
Energy: 0.9468155743133767
Energy: 0.9380768325602123
Energy: 0.9202665849629154
Energy: 0.889432213258217
Energy: 0.9141776451889193
Energy: 0.9454264448789245
Energy: 0.9831494023732219
Energy: 0.8898627202495532
Energy: 0.8901464689107687
Energy: 0.9402688788628245
Energy: 0.9196214395038096
Energy: 0.8960764855873239
Energy: 0.9390815534758281
Energy: 0.982781725676582
Energy: 0.8868679804303129
Energy: 0.9130760666547625
Energy: 0.9439364715738223
Energy: 0.9198985397750673
Energy: 0.9354722894173917
Energy: 0.9673632693180223
Energy: 0.9685684929125199
Energy: 0.9081363506022292
Energy: 0.931503456470494
Energy: 0.9545403218424174
Energy: 1.0224158101909977
Energy: 0.9080988330892414
Energy: 0.9462287094309482
Energy: 0.963565361351249
Energy: 0.9117646872035234
Energy: 0.9333019008361098
Energy: 0.9335029128602363
Energy: 1.152317262800873
Energy: 0.9568674916666595
Energy: 0.9337284428848185
Energy: 1.076969400372059
Energy: 0.9602383512433196
Energy: 0.9539230113688187
Energy: 0.9550179057637876
Energy: 0.9204863889395856
Energy: 0.9834699472590124
Energy: 1.021441839089826
Energy: 0.9328185158127482
Energy: 1.113589651755394
Energy: 1.113589924344562
Energy: 1.072618562051657
Energy: 1.111600591353028
Energy: 0.9602339885356429
Energy: 0.9034626570504227
Energy: 1.0882785207275787
Energy: 0.946324149699994
Energy: 0.9604325773324229
Energy: 0.955280202208839

minimum gb energy = 0.8534603631629043 eV
minimum distance =  2.32323016980583 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.11703187376157
Energy: 0.9622300116097356
Energy: 1.2177062531955782
Energy: 1.161708325826087
Energy: 1.133228427140644
Energy: 1.1110365363169072
Energy: 0.9273621240565338
Energy: 1.0444064690192498
Energy: 1.149488437278953
Energy: 1.1463583769863832
Energy: 0.9647205607360714
Energy: 1.0582591233250955
Energy: 1.0673152602107143
Energy: 0.9800525043879276
Energy: 1.129809087847322
Energy: 1.0613862844015474
Energy: 1.0661951483060912
Energy: 1.0501412061314015
Energy: 1.1535397980717703
Energy: 1.055739295501322
Energy: 0.9837936788025752
Energy: 1.078971375535497
Energy: 1.0799245035108607
Energy: 1.0701891149746403
Energy: 1.0933654013173764
Energy: 1.1371315245008027
Energy: 1.067218983307634
Energy: 1.107266937228942
Energy: 0.8893056629351896
Energy: 0.9688721893549919
Energy: 0.9765132743616327
Energy: 1.0536090868817598
Energy: 0.9951770147122844
Energy: 1.0111031900343592
Energy: 1.1143837185322698
Energy: 0.988365486271955
Energy: 1.039664182652403
Energy: 1.0135506312166798
Energy: 0.9867262742978764
Energy: 1.014791277654639
Energy: 1.047590015748802
Energy: 1.051037614556365
Energy: 1.0191757421517995
Energy: 0.9238164126844697
Energy: 1.0721813439764973
Energy: 0.973001032774429
Energy: 1.0965241133466348
Energy: 1.0157164151297198
Energy: 0.9930727484947576
Energy: 1.0005968946990316
Energy: 0.9460338175328047
Energy: 0.9553261897298398
Energy: 0.9763724263598323
Energy: 1.0499554451677526
Energy: 0.9837031336145765
Energy: 0.9739477746618529
Energy: 0.8986595483554944
Energy: 0.967336818038102
Energy: 1.0010116856016988
Energy: 0.9214443228157088
Energy: 1.0364366438830752
Energy: 1.0468612548813911
Energy: 1.0532621892903002
Energy: 1.0942058864893787
Energy: 0.9564308004522613
Energy: 0.9074930619164484
Energy: 0.9346274268152669
Energy: 0.9433765037846363
Energy: 1.0032481581165418
Energy: 0.948071637066445
Energy: 0.9920053025586639
Energy: 0.9404644871733181
Energy: 0.9363008721866938
Energy: 0.9819075359065698
Energy: 0.983313286445155
Energy: 0.964892810197771
Energy: 0.949985248297348
Energy: 0.9213871966551078
Energy: 0.927034603961191
Energy: 1.0462571376377279
Energy: 0.9548090751831303
Energy: 1.0132459955694615
Energy: 1.0914828215822094
Energy: 0.9864675919628404
Energy: 1.001758085563481
Energy: 0.9566738145090438
Energy: 0.9804388244521824
Energy: 0.9236062815112218
Energy: 0.9800698308154335
Energy: 0.9796689200186884
Energy: 0.9294174872063997
Energy: 1.0488280514977357
Energy: 0.9401962256658065
Energy: 1.0316715176645241
Energy: 0.9357041104659616
Energy: 0.9355571172217093
Energy: 1.0412598509504325
Energy: 0.9368615728214784
Energy: 0.9402990396572092
Energy: 1.1170836705893765
Energy: 1.002928115861797
Energy: 0.9726573876002209
Energy: 0.9675779759952345
Energy: 1.0110484577370613
Energy: 1.1131837437430048
Energy: 0.890999596313797
Energy: 1.0251510873686598
Energy: 1.0238762851270136
Energy: 1.005485813401195
Energy: 1.0127394680704935
Energy: 1.0618103801387746
Energy: 1.0353686512989337
Energy: 1.020404088194183
Energy: 1.0619983847632615
Energy: 1.0172359985277637
Energy: 1.116628609525399
Energy: 1.0924099330792416
Energy: 1.1164209713528885
Energy: 0.9942209051585211
Energy: 1.002396847050767
Energy: 1.0404912054193292
Energy: 1.0709526197966874
Energy: 1.1417033053270227
Energy: 1.1062450995281423
Energy: 0.9506607333413404
Energy: 1.108936816878617
Energy: 1.0329829572777598
Energy: 1.1518118394221377
Energy: 0.9910108426467253
Energy: 1.041617186574369
Energy: 0.9832842107857866
Energy: 1.0572875527709513
Energy: 1.0483901167128338
Energy: 1.1294666893993652
Energy: 1.1319741472251414
Energy: 1.1413320625702579
Energy: 1.1626918146971108
Energy: 1.1362563003343662
Energy: 1.066353893765392
Energy: 1.222932312399245
Energy: 1.16968987635067
Energy: 1.0481568381990871
Energy: 1.022314281375253
Energy: 1.0454983159752247
Energy: 1.1375229223566559
Energy: 1.106496961132721
Energy: 1.1745077997487876
Energy: 1.077589947452167
Energy: 1.1353939813452947
Energy: 1.096758586167648
Energy: 1.0431259379328104
Energy: 1.1375504541162043
Energy: 1.1067557429520434
Energy: 0.9775747145100416
Energy: 1.1097558004301025
Energy: 0.9801361103720274
Energy: 1.0137690056894144
Energy: 1.1619780198349234
Energy: 1.1327197231930037
Energy: 1.1102713149508092
Energy: 1.0010951837568918
Energy: 1.0462936764967532
Energy: 1.150113559671624
Energy: 0.9561196373878422
Energy: 1.0295972230657433
Energy: 0.9844237834316465
Energy: 0.8937885806167086
Energy: 1.0601127447784078
Energy: 1.0034639617305567
Energy: 1.0606424159529912
Energy: 1.0636020281767358
Energy: 1.153756993357222
Energy: 1.1395254713100376
Energy: 1.0550337947794897
Energy: 1.0463431820047904
Energy: 1.0801664998721052
Energy: 1.0632342392963592
Energy: 1.0702388844819946
Energy: 1.1521594216024087
Energy: 1.1417803105778328
Energy: 1.0673666359931235
Energy: 1.0963144715401658
Energy: 0.9224508694993122
Energy: 0.9241889928296835
Energy: 1.0932438768467645
Energy: 1.0544175502507007
Energy: 1.0125916434305726
Energy: 1.065143809728741
Energy: 1.0692069793402579
Energy: 0.9871070804245614
Energy: 0.9792796029186986
Energy: 1.0134774225110552
Energy: 0.9279926583479288
Energy: 1.0156621187605834
Energy: 1.0488182387998641
Energy: 1.0742566762828671
Energy: 1.0211636172845313
Energy: 0.9212274134674687
Energy: 1.022724601382155
Energy: 1.000494527160142
Energy: 1.0365712619144822
Energy: 1.0187033480252443
Energy: 0.9931418308471509
Energy: 1.0530452938884227
Energy: 0.9449001517118163
Energy: 0.9799213324922345
Energy: 0.9945025682330159
Energy: 1.0390223690686435
Energy: 0.9627574017789596
Energy: 0.9558994387840897
Energy: 0.9003028973320014
Energy: 0.9867367455262286
Energy: 1.0014339402390764
Energy: 0.9732163128677059
Energy: 1.0378565599320138
Energy: 1.046072878401364
Energy: 1.0485495880050637
Energy: 0.9435544176035982
Energy: 1.0092908238892133
Energy: 1.0222798799069246
Energy: 0.9324067569922843
Energy: 0.9413766801166231
Energy: 1.0431556543214635
Energy: 0.9477400142210755
Energy: 0.9885240440928198
Energy: 0.9404846413511587
Energy: 0.9454860198339297
Energy: 0.9889116032869645
Energy: 0.9844354304420565
Energy: 1.0164737087701456
Energy: 1.0008135811783585
Energy: 0.8946828663592936
Energy: 0.9267297236401711
Energy: 1.045975385278011
Energy: 1.0561175001094958
Energy: 1.0784473581657896
Energy: 1.0922821469594535
Energy: 0.9519738609136541
Energy: 0.9358183629233168
Energy: 0.9405321946877117
Energy: 0.9787997992898294
Energy: 0.9057563032642962
Energy: 1.0179583691008864
Energy: 0.994826958160756
Energy: 0.9284078210893114
Energy: 1.0472195235921749
Energy: 0.9287887672426528
Energy: 1.013895853420896
Energy: 0.9728019813970881
Energy: 0.9884658477538161
Energy: 1.0238144424427833
Energy: 0.9384150628610779
Energy: 0.9413780221512369
Energy: 1.0218551075890283
Energy: 1.0304539771218058
Energy: 0.9232926928872316
Energy: 0.9835098479595734
Energy: 1.0111984479890137
Energy: 0.9748918868534364
Energy: 0.8926908098349732
Energy: 0.9994128165034047
Energy: 1.0043751494291593
Energy: 1.0238886709243018
Energy: 0.9765483858484448
Energy: 1.0615128268270542
Energy: 1.0383048015431926
Energy: 1.0475487480771102
Energy: 0.9749057176365737
Energy: 1.0162596956603742
Energy: 1.115585871593469
Energy: 1.067230194924936
Energy: 1.0539056765918544
Energy: 0.9917289603314109
Energy: 1.0041972244234405
Energy: 1.0986199517744288
Energy: 1.072283921738094
Energy: 1.0857922463119858
Energy: 1.1162289951614945
Energy: 0.9490305170316304
Energy: 1.003790161398298
Energy: 1.0795099397283925
Energy: 1.1504426331889912
Energy: 1.066157436065813
Energy: 1.0752294856199323
Energy: 0.9870416797680548
Energy: 1.040398890119679
Energy: 1.0483416449335226
Energy: 1.1294723916050204
Energy: 1.229856657709838
Energy: 1.139370106377289
Energy: 1.1612266020608688
Energy: 1.1346681911195096
Energy: 1.0670671041750854
Energy: 1.075687479341689
Energy: 1.0770926503253853
Energy: 0.985790029662864
Energy: 0.9875704006777752
Energy: 1.1033070097883304
Energy: 1.1369388026325795
Energy: 1.106759534747842
Energy: 1.0606095505197204
Energy: 1.1729325654312293
Energy: 1.1338476318829354
Energy: 1.095381603351835
Energy: 1.0846972790205702
Energy: 1.1372432093516074
Energy: 1.1067803403082443
Energy: 1.0709963516134113
Energy: 1.1082953443304013
Energy: 0.9992086042927004
Energy: 1.2103681027516549
Energy: 1.1623027049952352
Energy: 1.1331225023127494
Energy: 1.0662399994918714
Energy: 1.0264628264104407

minimum gb energy = 0.8893056629351896 eV
minimum distance =  2.26902507482756 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.993645549435092
Energy: 0.9658709711497577
Energy: 0.9682701757764698
Energy: 0.9016590893704315
Energy: 0.9024235908383434
Energy: 0.9644202621397389
Energy: 0.966519210146682
Energy: 0.99293807364259
Energy: 1.0976557483262737
Energy: 0.9022462887255087
Energy: 0.9028135901077864
Energy: 0.9024514627773584
Energy: 0.9030452591682205
Energy: 1.097461425362692
Energy: 0.9543012789157305
Energy: 1.0975463754721133
Energy: 0.949575033609294
Energy: 0.9020163014579741
Energy: 0.9022505630502056
Energy: 0.9017098553141721
Energy: 0.9024205873508965
Energy: 0.9552182642352679
Energy: 1.0976068768674931
Energy: 0.9017357566323181
Energy: 0.901871176459022
Energy: 0.9017954740760541
Energy: 0.9018522162015832
Energy: 0.9706715629214415
Energy: 0.9918252018890743
Energy: 1.0980327583496028
Energy: 0.9600702855539487
Energy: 1.0979475539142047
Energy: 0.9029556877413807
Energy: 0.9594932443688124
Energy: 1.0981085126221604
Energy: 0.9583857498719568
Energy: 1.097893025571048
Energy: 0.9020783877460659
Energy: 0.9021415838919928
Energy: 0.9022991755688715
Energy: 0.9021072941965852
Energy: 0.967214948112699
Energy: 0.9549210811631731
Energy: 1.0971540169978065
Energy: 0.9521577189489142
Energy: 0.9026005690431761
Energy: 0.9026602040888835
Energy: 0.9017236948711548
Energy: 1.097104535997635
Energy: 0.9543126830430086
Energy: 1.0971655899010293
Energy: 0.950958957128891
Energy: 0.902474110984461
Energy: 0.9025154224227822
Energy: 0.9491860149050001
Energy: 1.0972398440853517
Energy: 0.9573069248055368
Energy: 1.09745953702927
Energy: 0.9016635892400194
Energy: 0.9022033097103671
Energy: 0.901849923374046
Energy: 0.9016639018383074
Energy: 0.9680551516081147
Energy: 0.9915128920538413
Energy: 1.0978536531058969
Energy: 0.96002204346234
Energy: 1.0968854389995801
Energy: 1.0968640741914848
Energy: 0.9592744168931661
Energy: 1.0980504865919583
Energy: 0.9567305253281995
Energy: 1.097568452870435
Energy: 0.9018380831207887
Energy: 0.9017896952208683
Energy: 0.9019116468329514
Energy: 0.9015584603574768
Energy: 0.9689697427359906
Energy: 0.9542672815095035
Energy: 1.0975471788528763
Energy: 0.9505301534187928
Energy: 0.9026521635300587
Energy: 0.9022698275415791
Energy: 0.9021302237443676
Energy: 1.096978059106468
Energy: 0.9555588416365353
Energy: 1.0976154322557956
Energy: 0.9526132902819541
Energy: 0.902613611099999
Energy: 0.9022123995494539
Energy: 0.9512093467147039
Energy: 1.0973623989225654
Energy: 0.9574140110934914
Energy: 1.0964894635562994
Energy: 0.902335516217738
Energy: 0.9020226657259757
Energy: 0.9022872060915237
Energy: 0.9024246689314593
Energy: 0.9667623899729927
Energy: 0.9921212429787801
Energy: 1.09810524999088
Energy: 0.959699454239796
Energy: 0.9024941726198068
Energy: 0.9024502729199592
Energy: 0.9027254393714433
Energy: 1.0977257821279185
Energy: 0.9549135451022629
Energy: 1.0971947320351254
Energy: 0.9018736541764409
Energy: 0.9020836956532304
Energy: 0.9021328338053234
Energy: 0.9018318231463719
Energy: 0.9041036021017579
Energy: 0.9545970077134655
Energy: 1.097092461829384
Energy: 0.9019629308751281
Energy: 0.9020511323928792
Energy: 0.9018995796766465
Energy: 0.9019459418093381
Energy: 0.90198020926023
Energy: 0.9924192266271485
Energy: 1.0977754407343685
Energy: 0.9502061521901547
Energy: 0.9022763161839803
Energy: 0.9027234026968779
Energy: 0.9026548196860091
Energy: 1.09777358910718
Energy: 0.9583318491071845
Energy: 1.0969087080303233
Energy: 0.9024872520357878
Energy: 0.9019562583210949
Energy: 0.902327116407959
Energy: 0.9029732337076677
Energy: 0.9666149902485446
Energy: 0.9560905598681395
Energy: 1.0975904300388661
Energy: 0.9529897512533548
Energy: 0.9027840669868762
Energy: 0.9020565080990969
Energy: 0.902954685502496
Energy: 1.0972986257354365

minimum gb energy = 0.9015584603574768 eV
minimum distance =  2.388204414131 Angstroms
sigma value = 23