Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.03330184519291
cohesive_energy=3.369970499585708
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.11003458344532e-19, 2.71131545241918e-19, 3.12823385611866e-19, 3.50661991177044e-19, 3.8384947797372e-19, 4.10335059910374e-19, 4.31023966785216e-19, 4.47298877033388e-19, 4.60279712122056e-19, 4.71017499923124e-19, 4.80403050645096e-19, 4.89091654531278e-19, 4.974165643215419e-19, 5.052912624776519e-19, 5.125026595072859e-19, 5.18877720333972e-19, 5.24333131772742e-19, 5.28852872057256e-19, 5.32478597779998e-19, 5.352824068894979e-19, 5.37349214747358e-19, 5.387687432450819e-19, 5.396082838012979e-19, 5.39887062535614e-19, 5.39574638091984e-19, 5.38533223279884e-19, 5.36581772139672e-19, 5.3348476470615e-19, 5.289602178917339e-19, 5.22753385611618e-19, 5.14672006669722e-19, 5.045526590493779e-19, 4.92198275024604e-19, 4.773044410349399e-19, 4.593392344378979e-19, 4.37439082027752e-19, 4.1034146861691e-19, 3.76274386848168e-19, 3.32863410949938e-19, 2.7692501595046198e-19, 2.0357736964594197e-19, 1.06173041181912e-19, -2.1840551439361197e-20, -1.8532377125478e-19, -3.8892357137359796e-19, -6.429390636344939e-19, -9.67451929968024e-19, -1.3992305219478539e-18, -1.99746565314048e-18, -2.8607024017733397e-18, -4.1348173481955e-18, -6.115075624286819e-18, -9.49387388419674e-18]
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: 0.011812105042095487
Energy: 0.012646581172625241
Energy: 0.06401386258209625
Energy: 0.06419793246911287
Energy: 0.012563102955378175
Energy: 0.012704234305106457
Energy: 0.0643719235134946
Energy: 0.06401639200529563
Energy: 0.06409664865887811
Energy: 0.01241393847203515
Energy: 0.012387108637501101
Energy: 0.06395434489022779
Energy: 0.06492414677457697
Energy: 0.0639206155083095
Energy: 0.06398942100525423
Energy: 0.06426138991725211
Energy: 0.06386058385997147
Energy: 0.06493570671756617
Energy: 0.06388906455216056
Energy: 0.06391657043041389
Energy: 0.06413032815231688
Energy: 0.012372392004067635
Energy: 0.012128818838864434
Energy: 0.06432970147999509
Energy: 0.06379607930196607
Energy: 0.06407827900627301
Energy: 0.012303669964459963
Energy: 0.012092367253809674
Energy: 0.06426498881950087
Energy: 0.063854378710659
Energy: 0.06398619670117726
Energy: 0.012284019289975752
Energy: 0.012134496694032559
Energy: 0.06395541160912392
Energy: 0.06414983815579095
Energy: 0.06415491593565058
Energy: 0.012295776188008178
Energy: 0.012202651501766582
Energy: 0.06397867180288648
Energy: 0.06402867291152167
Energy: 0.0640092186662304
Energy: 0.06421775721408424
Energy: 0.06404011609410487
Energy: 0.01227403859927076
Energy: 0.012291354365785406
Energy: 0.06397158892371599
Energy: 0.06397749934912768
Energy: 0.06424847056733138
Energy: 0.012199093819794024
Energy: 0.06396375583843737
Energy: 0.0639484562768751
Energy: 0.06377012893253005
Energy: 0.06440332432723171
Energy: 0.012183673885649912
Energy: 0.012386539990727282
Energy: 0.06396695267085466
Energy: 0.06380169602488016
Energy: 0.06437803918604784
Energy: 0.012175983827665807
Energy: 0.012384266109393033
Energy: 0.01237118890293563
Energy: 0.06398765949019718
Energy: 0.06408236251990587
Energy: 0.06458031166589508
Energy: 0.06402070169480613
Energy: 0.012314633740296966
Energy: 0.06408784357442095
Energy: 0.06403460698058766
Energy: 0.06452284167481195
Energy: 0.06412902296563089

minimum gb energy = 0.011812105042095487 eV
minimum distance =  2.81754667853423 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.5842375061296476
Energy: 0.5727156417323884
Energy: 0.5784181310665375
Energy: 0.6239492022828629
Energy: 0.6551543032432626
Energy: 0.5829803964373839
Energy: 0.5732294394369563
Energy: 0.5792749960598633
Energy: 0.5984586637782822
Energy: 0.5162767573128217
Energy: 0.6615184154530876
Energy: 0.5677794419880656
Energy: 0.5771986633158844
Energy: 0.49559284829661676
Energy: 0.4846289875089494
Energy: 0.6445015961983981
Energy: 0.579475006029332
Energy: 0.5803826817543186
Energy: 0.5492232365404481
Energy: 0.5448631914148128
Energy: 0.6205871229370284
Energy: 0.5968214970342027
Energy: 0.5549831960926155
Energy: 0.5495262178033986
Energy: 0.4844152586751648
Energy: 0.6330233839809684
Energy: 0.49740930561062596
Energy: 0.5456965318861666
Energy: 0.5421610553684579
Energy: 0.5413757630366122
Energy: 0.5776323072570705
Energy: 0.6403485019523261
Energy: 0.48410358901991735
Energy: 0.5558568510951919
Energy: 0.4798022653792825
Energy: 0.5735117351785239
Energy: 0.7020157220526712
Energy: 0.5401942453274443
Energy: 0.5415074500542081
Energy: 0.6582991932163286
Energy: 0.595763699788109
Energy: 0.6047647386075943
Energy: 0.6463413781921027
Energy: 0.49333659267393165
Energy: 0.6373151823342699
Energy: 0.5837192935579658
Energy: 0.6059450604356271
Energy: 0.7064815352766253
Energy: 0.5787349117819447
Energy: 0.6078768155342971
Energy: 0.6929789376974553
Energy: 0.6234474034931272
Energy: 0.49511279366044386
Energy: 0.6415823244631561
Energy: 0.6065079990361062
Energy: 0.6910686096476168
Energy: 0.5888961083669157
Energy: 0.46469375347691455
Energy: 0.6481172363852991
Energy: 0.5960478367386305
Energy: 0.6650735865540968
Energy: 0.6463612566633102
Energy: 0.49359600150469657
Energy: 0.6009166490257818
Energy: 0.5957058867029752
Energy: 0.6535312861888523
Energy: 0.5636038546600622
Energy: 0.46466557101673656
Energy: 0.608741801922427
Energy: 0.5929237494960049
Energy: 0.5970862276221095
Energy: 0.6374130111263188
Energy: 0.6152462215504706
Energy: 0.5980527151011844
Energy: 0.5928936496900775
Energy: 0.5948936521605016
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Energy: 0.6285964597647244
Energy: 0.6003300113476977
Energy: 0.5970793271324936
Energy: 0.5201581186977001
Energy: 0.4929187736285383
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Energy: 0.6049085426170384
Energy: 0.5961695043488647
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Energy: 0.4952372808184812
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Energy: 0.6374673792492298
Energy: 0.6928674813051785
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Energy: 0.5241975020555314
Energy: 0.49590191769682224
Energy: 0.598474113279898
Energy: 0.6333721643751821
Energy: 0.6847298406962811
Energy: 0.4275923623040811
Energy: 0.5912496277745714
Energy: 0.6004154381247946
Energy: 0.6082240831407187
Energy: 0.6851313371215471
Energy: 0.6531050347988375
Energy: 0.6024256946889744
Energy: 0.5898644462919569
Energy: 0.5845985286492393
Energy: 0.6009166287282321
Energy: 0.6548613417513445
Energy: 0.601480363602635
Energy: 0.5886007389789795
Energy: 0.5861540692176819
Energy: 0.6008115725463883
Energy: 0.47364652810406793
Energy: 0.653040330928876
Energy: 0.5871421898996866
Energy: 0.5986285448721672
Energy: 0.4984076437378793
Energy: 0.4749012478440885
Energy: 0.6696954822854468
Energy: 0.5961021631565279
Energy: 0.5935602885284925
Energy: 0.4954309755341533
Energy: 0.5235905676830678
Energy: 0.6377916673364152
Energy: 0.49601323926800234
Energy: 0.5316059560069585
Energy: 0.521195628325459
Energy: 0.4956221899516953
Energy: 0.6412106729321992
Energy: 0.4975230398792647
Energy: 0.529362412666152
Energy: 0.4896342516115767
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Energy: 0.4977746140713507
Energy: 0.7027232944998238
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Energy: 0.5189398151500991
Energy: 0.49759758670960375
Energy: 0.6400441932464748
Energy: 0.5233886863671199
Energy: 0.47525289577581564
Energy: 0.6101211482574631
Energy: 0.6249387534328941
Energy: 0.6062514294866737
Energy: 0.6852363533441203
Energy: 0.47040438759635034
Energy: 0.6314171589440907
Energy: 0.6226939471527878
Energy: 0.6313943700228783
Energy: 0.49003675822213794
Energy: 0.5293674116059546
Energy: 0.6013383790624279
Energy: 0.6906896276519882
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Energy: 0.4653224290301454
Energy: 0.6390187214317249
Energy: 0.6069490819202107
Energy: 0.6023049782384826
Energy: 0.6266894312496493
Energy: 0.5750782855632992
Energy: 0.6361646062258713
Energy: 0.5921581661619433
Energy: 0.600070210579542
Energy: 0.6172324054630837
Energy: 0.46380698885790556
Energy: 0.6370060130358494
Energy: 0.609118961845279
Energy: 0.6479345765004707
Energy: 0.5670972434548682
Energy: 0.49692288083397756
Energy: 0.6387505046014584
Energy: 0.5922628486690555
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Energy: 0.6369083286523924
Energy: 0.498669036457772
Energy: 0.5954856392635816
Energy: 0.5921729136106938
Energy: 0.5971195455826983
Energy: 0.6247331136743127
Energy: 0.5321916584240225
Energy: 0.5950651314505847
Energy: 0.5977667623206921
Energy: 0.6025784349886408
Energy: 0.4436125859937706
Energy: 0.7099417798983041
Energy: 0.6128728541302664
Energy: 0.6142085678172821
Energy: 0.6054346568190304
Energy: 0.4585749396276507
Energy: 0.6531171442697828
Energy: 0.6005893464527956
Energy: 0.5219529636029371
Energy: 0.5508086792004699
Energy: 0.46802271886823843
Energy: 0.5442074657745848
Energy: 0.5515714707350531
Energy: 0.5500274477912777
Energy: 0.5443699120531514
Energy: 0.5012220697202386
Energy: 0.5507405989244974
Energy: 0.5501613130696514
Energy: 0.5613740807384479
Energy: 0.4708455666578463
Energy: 0.5531674933679185
Energy: 0.49493482508815523
Energy: 0.5491185352609326
Energy: 0.5319828989209808
Energy: 0.4989797032379335
Energy: 0.5498282784682852
Energy: 0.515030940797334
Energy: 0.5506881106039773
Energy: 0.6422449048578464
Energy: 0.563991290507486
Energy: 0.5579091874612669
Energy: 0.6208711903437594
Energy: 0.572417153004234
Energy: 0.6546597837407334
Energy: 0.5008196820885261
Energy: 0.5886744755526663
Energy: 0.6483694306878088
Energy: 0.5968607980291312
Energy: 0.6540960782249787
Energy: 0.5706484432878935
Energy: 0.636302479576791
Energy: 0.5942891205179366
Energy: 0.6009060672339903
Energy: 0.48653699461558647
Energy: 0.6526603313853278
Energy: 0.5854278189492897
Energy: 0.6907834049842422
Energy: 0.6131761707879915
Energy: 0.5574133988593781
Energy: 0.5477584105750528
Energy: 0.581638504898168
Energy: 0.591459805440544
Energy: 0.6146361892941766
Energy: 0.48652244018718477
Energy: 0.5933458566107441
Energy: 0.5688105131952258
Energy: 0.5920684306896286
Energy: 0.6657327410915046
Energy: 0.6940901277055006
Energy: 0.5892037843373379
Energy: 0.5716306229736525
Energy: 0.5739449000691552
Energy: 0.5911068353944258
Energy: 0.6601222905452399
Energy: 0.6081281041560147
Energy: 0.570326780934055
Energy: 0.5693142417925333
Energy: 0.5830962389086888

minimum gb energy = 0.4275923623040811 eV
minimum distance =  2.53870934408254 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.6084422493603807
Energy: 0.5128288902179184
Energy: 0.5932692572054107
Energy: 0.6179656582651958
Energy: 0.8339572683555356
Energy: 0.6191018733340903
Energy: 0.515998920543054
Energy: 0.5967632542980803
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Energy: 0.49164198514012236
Energy: 0.6258533794658371
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Energy: 0.5930727658625237
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Energy: 0.5685371336911138
Energy: 0.6403718562592868
Energy: 0.5208775339449404
Energy: 0.5347121016108868
Energy: 0.5430441226761854
Energy: 0.5887209226320638
Energy: 0.720506903124698
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Energy: 0.5497843200920611
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Energy: 0.7200800909176595
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Energy: 0.5658606492843521
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Energy: 0.5381340136526208
Energy: 0.5354374144512227
Energy: 0.6426437478552719
Energy: 0.5352613143778977
Energy: 0.5662356701481532
Energy: 0.5401468782144794
Energy: 0.5336466795112227
Energy: 0.6080704255353684
Energy: 0.5492354644056545
Energy: 0.5661910560505287
Energy: 0.6316485447087075
Energy: 0.533039588491629
Energy: 0.6187184847058573
Energy: 0.6134115305189582
Energy: 0.5462149793837056
Energy: 0.634082564449078
Energy: 0.5364542070022117
Energy: 0.6172885925948853
Energy: 0.669236047719641
Energy: 0.5241859821709414
Energy: 0.6225123115738247
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Energy: 0.6210098079375804
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Energy: 0.6017321501798848
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Energy: 0.5834237407169832
Energy: 0.5320913039065908
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Energy: 0.638462088169897
Energy: 0.5502775030545733
Energy: 0.6146983589285516
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Energy: 0.5417960487158058
Energy: 0.6091502103563018
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Energy: 0.6410362025583415
Energy: 0.6429243572816801
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Energy: 0.6680646201024766
Energy: 0.6353914968193876
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Energy: 0.5136338084524195
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Energy: 0.6274511437693254
Energy: 0.5212565800532761
Energy: 0.6032322841335718
Energy: 0.5940826227467672
Energy: 0.5470747346508725
Energy: 0.6099609730120865
Energy: 0.5241423753904975
Energy: 0.5409966886999918
Energy: 0.5500717942376087
Energy: 0.54414088434836
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Energy: 0.5416541570223531
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Energy: 0.5810133368383948
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Energy: 0.6080646757261183
Energy: 0.5314137931865512
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minimum gb energy = 0.49164198514012236 eV
minimum distance =  2.51814267833859 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.6102533643444691
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Energy: 0.5741997264321246
Energy: 0.5769113473413545
Energy: 0.5857879291246182
Energy: 0.5808702451013001
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Energy: 0.5620175205131144
Energy: 0.5998815722750273
Energy: 0.5709690374396228
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Energy: 0.5802753013967362
Energy: 0.579933845044711
Energy: 0.5947733544064688
Energy: 0.5750879434204615
Energy: 0.548549733296647
Energy: 0.6277710230640173
Energy: 0.617006835263596
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Energy: 0.5618377330490855
Energy: 0.5722922719936637
Energy: 0.5733413636081812
Energy: 0.5705725130348956
Energy: 0.5598624664711241
Energy: 0.5610071198938862
Energy: 0.5778930247460349
Energy: 0.6180447233416966
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Energy: 0.5798135419380966
Energy: 0.5822686819153766
Energy: 0.5619601428188383
Energy: 0.5985212251761938
Energy: 0.536581979688726
Energy: 0.5753362183849393
Energy: 0.5875339439332373
Energy: 0.571419546406761
Energy: 0.6030132044623826
Energy: 0.5949868652713649
Energy: 0.5890411520637966
Energy: 0.5784089142031809
Energy: 0.6004641869636493
Energy: 0.60181273227498
Energy: 0.5955304648940206
Energy: 0.5950099800814773
Energy: 0.6239523829558491
Energy: 0.5980138968354818
Energy: 0.5626671473234418
Energy: 0.5850471755013216
Energy: 0.5379914192909608
Energy: 0.5595991449155697
Energy: 0.5720839582479282
Energy: 0.5659422464477507
Energy: 0.5757020787057552
Energy: 0.5338614938008589
Energy: 0.5537645475990479
Energy: 0.5936775429339601
Energy: 0.6739274644416084
Energy: 0.5311806170087151
Energy: 0.5427923357404006
Energy: 0.5379072627841348
Energy: 0.5364908599296101
Energy: 0.5575435355384147
Energy: 0.5319386971339586
Energy: 0.5322590372795986
Energy: 0.5373093659121819
Energy: 0.6194308899485019

minimum gb energy = 0.49608076504283627 eV
minimum distance =  2.56452719397664 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.663801562910929
Energy: 0.5724164236974498
Energy: 0.518780954578371
Energy: 0.5543010923557061
Energy: 0.5789722027988532
Energy: 0.6340045530979322
Energy: 0.5782139245925878
Energy: 0.5182311352125283
Energy: 0.5565182833722714
Energy: 0.5741769919677563
Energy: 0.5409222043268695
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Energy: 0.5467056171887034
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Energy: 0.55662367582205
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Energy: 0.5993189151175546
Energy: 0.5420091688357634
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Energy: 0.5167053284937386
Energy: 0.5843313482766791
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Energy: 0.5850547917674149
Energy: 0.6068468360748466
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Energy: 0.5650381917750478
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Energy: 0.5641262409481399
Energy: 0.5760306074617635
Energy: 0.5788285039081484
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Energy: 0.584454741110094
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Energy: 0.6426141070383272
Energy: 0.5860234896650238
Energy: 0.5743920138088537
Energy: 0.5856177801029963
Energy: 0.6315684792688924
Energy: 0.6412496025890292
Energy: 0.5878033031914706
Energy: 0.566622068498744
Energy: 0.5459777388349399
Energy: 0.5388093593692105
Energy: 0.5044367755284968
Energy: 0.6061678905186936
Energy: 0.5838580465819779
Energy: 0.5480999183854521
Energy: 0.5430926241923767
Energy: 0.5042946515170773
Energy: 0.5850280263439944
Energy: 0.510438512901705
Energy: 0.5357952524460023
Energy: 0.5381552450526901
Energy: 0.5366892500823339
Energy: 0.5521372565713979
Energy: 0.5423115349714493
Energy: 0.540112457601141
Energy: 0.5481522487824999
Energy: 0.5453493604369717
Energy: 0.5364387202059803
Energy: 0.5457592530479612
Energy: 0.5424188734311292
Energy: 0.501780691617733
Energy: 0.5110453075700175
Energy: 0.5215437853919429
Energy: 0.5246214352182451
Energy: 0.5494165682873694
Energy: 0.49993216457093703
Energy: 0.5358766175486698
Energy: 0.5268957088364983
Energy: 0.5536381231330885
Energy: 0.5608727989311045
Energy: 0.5304381048215427
Energy: 0.5558211957459405
Energy: 0.535851726469378
Energy: 0.5541797262024916
Energy: 0.5549855969651153
Energy: 0.5173042595714337
Energy: 0.5581756080726118

minimum gb energy = 0.4832799690895098 eV
minimum distance =  2.58438017221733 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.8518869012584424
Energy: 0.4720160973983467
Energy: 0.47481721170883867
Energy: 0.4839654488408208
Energy: 0.4605935675755984
Energy: 0.4904729033083254
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Energy: 0.511100787165281
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Energy: 0.5128134877753594
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Energy: 0.5090449499036153
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Energy: 0.515021824359545
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Energy: 0.5099758690294873
Energy: 0.5043583360017666
Energy: 0.5210640139885808
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Energy: 0.511769404213715
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Energy: 0.49400708255522663
Energy: 0.5060673855453507
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Energy: 0.49435682926717756
Energy: 0.550755094359092
Energy: 0.5302191203897767
Energy: 0.5115379982481761
Energy: 0.5241879219088386
Energy: 0.5140861459099533
Energy: 0.5517845233111786
Energy: 0.5148151570139711
Energy: 0.533370029152716
Energy: 0.477951973062126
Energy: 0.47897000799328215
Energy: 0.4818132317365609
Energy: 0.5098019711203886
Energy: 0.5053398631492848
Energy: 0.48974766850816187
Energy: 0.4828380228405838
Energy: 0.48684614985441826
Energy: 0.5121788479284244
Energy: 0.5155081187868512
Energy: 0.4833500292684299
Energy: 0.4838884790410605
Energy: 0.48975269896119933
Energy: 0.5135317939110152
Energy: 0.518805824758252
Energy: 0.4909238368970537
Energy: 0.49230953893446505
Energy: 0.48406386961965553
Energy: 0.5120421757059804
Energy: 0.5337106164568364
Energy: 0.49670226283854274
Energy: 0.4820926500156301
Energy: 0.4757619175890048
Energy: 0.5008211504479761
Energy: 0.5113827389672163
Energy: 0.4894099124489691
Energy: 0.49580761243047267
Energy: 0.4919405559805231
Energy: 0.5285808826537346
Energy: 0.4854247828063728
Energy: 0.4794675546894067
Energy: 0.4804350841000758
Energy: 0.47897686894298713
Energy: 0.5771241288890465
Energy: 0.48232484360440886
Energy: 0.5048318044533425
Energy: 0.4751508106692092
Energy: 0.5075239958786527

minimum gb energy = 0.4605935675755984 eV
minimum distance =  2.60552931451071 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.39696604435590654
Energy: 0.4974654843800059
Energy: 0.4483480992307393
Energy: 0.3581400254974444
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Energy: 0.3627188223847337
Energy: 0.36228962157573685
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Energy: 0.3304279910054783
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Energy: 0.5736215301623638
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Energy: 0.32133355733862656
Energy: 0.3547691937220427
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Energy: 0.2704408283962455
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Energy: 0.3603539792555004
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Energy: 0.4046404511208059
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Energy: 0.39848571909091324
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Energy: 0.44123564878104216
Energy: 0.3397905862862362
Energy: 0.3444738647427651
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Energy: 0.5211879021732024
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Energy: 0.34985244596232007
Energy: 0.34693564878284605
Energy: 0.462479921926441
Energy: 0.5046643191339683
Energy: 0.4302588205772668
Energy: 0.37919515049165975
Energy: 0.33078946070573567
Energy: 0.43743118612896115
Energy: 0.5062138476895176
Energy: 0.4456794089838576
Energy: 0.3913204394159146
Energy: 0.4076222332198349
Energy: 0.4613351410229165
Energy: 0.4719355288385664
Energy: 0.4651496325812904
Energy: 0.35382347254954805
Energy: 0.421716454441872
Energy: 0.4698518903804248
Energy: 0.491368087484325
Energy: 0.45020972663837894
Energy: 0.36098470605131205
Energy: 0.44669741957073206
Energy: 0.49985802638083526
Energy: 0.4640842131287767
Energy: 0.35133969636583234
Energy: 0.36663875853413475
Energy: 0.4487256918274935
Energy: 0.7837834554027207
Energy: 0.4588304658846561
Energy: 0.35905713054719085
Energy: 0.3767554242771949
Energy: 0.4557155188729627
Energy: 0.48017374120866024
Energy: 0.46321864204165375
Energy: 0.452710226141531
Energy: 0.44869316957944844
Energy: 0.4645185808142404
Energy: 0.5075268269908161
Energy: 0.4506178912709961
Energy: 0.36076413414416475
Energy: 0.43204408584425463
Energy: 0.4632261066339984
Energy: 0.5090994162996232
Energy: 0.45425278928667784
Energy: 0.3974807644268602
Energy: 0.46746232746817323
Energy: 0.49692575652678445
Energy: 0.4493881534509573
Energy: 0.4111394046843181
Energy: 0.35928684239506187
Energy: 0.4520057638566317
Energy: 0.4631097723919856
Energy: 0.5450687227992611
Energy: 0.3968904142010715

minimum gb energy = 0.2610896784611988 eV
minimum distance =  2.6242663712113 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.721811125478895
Energy: 0.4554870212037219
Energy: 0.4514312814872457
Energy: 0.44673727435232063
Energy: 0.4459595869648478
Energy: 0.445674468013433
Energy: 0.4493816693688398
Energy: 0.44957682011838207
Energy: 0.45590584502840364
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Energy: 0.450061212331211
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Energy: 0.4295665539552531
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Energy: 0.44889313889305194
Energy: 0.4262447293291368
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Energy: 0.4533073101964975
Energy: 0.4497740482998305
Energy: 0.4459623999959734
Energy: 0.43087553845374327
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Energy: 0.43011144483051367
Energy: 0.44935239311289776
Energy: 0.44881684428001023
Energy: 0.4488809124222222
Energy: 0.4584921366145865
Energy: 0.4527851924325636
Energy: 0.45979987368881076
Energy: 0.4651280435718122
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Energy: 0.4561524356983636
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Energy: 0.45106402715126653
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Energy: 0.4616513498005032
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Energy: 0.4532743984869654
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Energy: 0.4601539802387243
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Energy: 0.4787981405341395
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Energy: 0.4523173957873411
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Energy: 0.4624063780271638
Energy: 0.4597841303211806
Energy: 0.4588229157544152
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Energy: 0.462985351122184
Energy: 0.4587965802066434
Energy: 0.45619036283110825
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Energy: 0.47015428338152454
Energy: 0.4663555594386784
Energy: 0.454636653269006
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Energy: 0.470279357982858
Energy: 0.4906168879848837
Energy: 0.45476632493076236
Energy: 0.46765870014683736
Energy: 0.45171157123018385
Energy: 0.46699031867825996
Energy: 0.46153278616359306
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Energy: 0.4555830009592178
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Energy: 0.45130630642962377
Energy: 0.44656359890970665
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Energy: 0.46381627644907547
Energy: 0.4507653993553563
Energy: 0.4579841078321944

minimum gb energy = 0.4254847837169563 eV
minimum distance =  2.59300653816091 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 0.5257708608919112
Energy: 0.5351193578203237
Energy: 0.5177708618621518
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Energy: 0.533320739250856
Energy: 0.5562716490202761
Energy: 0.5041497856767905
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Energy: 0.5660161056164377
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Energy: 0.5053330888348097
Energy: 0.5579728035361233
Energy: 0.5709181679364449
Energy: 0.5301352497503183
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Energy: 0.5264408627636366
Energy: 0.543433522371002
Energy: 0.5510473905803709
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Energy: 0.5577370633810438
Energy: 0.5266187031577417
Energy: 0.5415349207549573
Energy: 0.5505895152988852
Energy: 0.5497501128816707
Energy: 0.5578920767286722
Energy: 0.5356684212265402
Energy: 0.5640642009211488
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Energy: 0.5466688238887785
Energy: 0.5582122880103177
Energy: 0.5903646454308255
Energy: 0.5488574403014812
Energy: 0.5485716175261102
Energy: 0.5465487336692456

minimum gb energy = 0.4981360747893194 eV
minimum distance =  2.58979177753957 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.8427085622932079
Energy: 0.6094794410453541
Energy: 0.6124973699888293
Energy: 0.5904415503600172
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Energy: 0.6034593654037694
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Energy: 0.5856807289738423
Energy: 0.6198628582030002
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Energy: 0.5792756223056498
Energy: 0.6178521509809168
Energy: 0.6001943067417805
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Energy: 0.5917541482978778
Energy: 0.605543304259319
Energy: 0.6790119468893386
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minimum gb energy = 0.5679107532890892 eV
minimum distance =  2.56325155379796 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.6272207913383354
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Energy: 0.6416943344431462
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Energy: 0.5903738521477231
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Energy: 0.6117338057399214
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Energy: 0.590832510630669
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Energy: 0.6716915079883805
Energy: 0.5802716967134419
Energy: 0.5894685134951902
Energy: 0.5906754906274708
Energy: 0.5920354894042279
Energy: 0.5681772553137516
Energy: 0.5902725535424086
Energy: 0.5813340077259632
Energy: 0.5880288882015215
Energy: 0.6223238214055185
Energy: 0.6256351104207636
Energy: 0.5886953867477773
Energy: 0.5813255568437168
Energy: 0.5894286247633902
Energy: 0.6284126201996668
Energy: 0.6214862010019091
Energy: 0.5940842360056925
Energy: 0.60645278063242
Energy: 0.6169687209604231
Energy: 0.6419834473750312
Energy: 0.6115212664060463
Energy: 0.5955331331115105
Energy: 0.6035830453424922
Energy: 0.6160979776243093
Energy: 0.6530892170051911
Energy: 0.6090311453000649
Energy: 0.6420841214120416
Energy: 0.5972444241907572
Energy: 0.6440548751968057
Energy: 0.6069799354297011
Energy: 0.6437587013000149
Energy: 0.6066080165703632
Energy: 0.5975310611771898
Energy: 0.6349983116156834
Energy: 0.6058127370902334
Energy: 0.6251298267094202
Energy: 0.62904315672572
Energy: 0.6057291820900451
Energy: 0.5851263851372258
Energy: 0.6692643965605176
Energy: 0.6522836949509229
Energy: 0.6362241272410752
Energy: 0.6081893603973744
Energy: 0.5826968573009069
Energy: 0.6647161654739563
Energy: 0.6722700431454615
Energy: 0.711157167658115
Energy: 0.5925049490842581
Energy: 0.6658971066287449
Energy: 0.5759999766285573
Energy: 0.5814864361221482
Energy: 0.7205150301850409
Energy: 0.5959308032466285
Energy: 0.6657147115896491
Energy: 0.5805279176387595
Energy: 0.567854108904183

minimum gb energy = 0.5572502937076641 eV
minimum distance =  2.56828086233183 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.5547104657182212
Energy: 0.5856779413049369
Energy: 0.6127695573044061
Energy: 0.6312241102714164
Energy: 0.585785798150384
Energy: 0.5552152365836944
Energy: 0.5654567632854702
Energy: 0.6121512387125776
Energy: 0.6314034456341794
Energy: 0.5550652618600422
Energy: 0.5550891626012241
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Energy: 0.5836243839359885
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Energy: 0.6133265700663737
Energy: 0.6125767011169747
Energy: 0.6125586110463033
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Energy: 0.5833408563615032
Energy: 0.5652885008516203
Energy: 0.6198117961446065
Energy: 0.6143746698290703
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Energy: 0.6108195476546413
Energy: 0.610766238256667
Energy: 0.6132015948480148
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Energy: 0.5551903666906147
Energy: 0.6130542116422246
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Energy: 0.6044873737951183
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Energy: 0.6225490744673199
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Energy: 0.5650474870227827
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Energy: 0.5548383661232895
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Energy: 0.5647279283848748
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Energy: 0.613549220103898
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Energy: 0.5857771792843965
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Energy: 0.5904120305169707
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Energy: 0.6126886590661326
Energy: 0.5552785875204462
Energy: 0.5549893591103284
Energy: 0.6139409710266748
Energy: 0.6105406801992949
Energy: 0.6495120974655894
Energy: 0.5871868132386422
Energy: 0.5557632012115272
Energy: 0.5654472569663713
Energy: 0.5650753139737901
Energy: 0.6129407809082199
Energy: 0.5863771246242373
Energy: 0.5549894465519547
Energy: 0.5649190983652089
Energy: 0.5830661206793522
Energy: 0.5827107859465158
Energy: 0.6128616806176498
Energy: 0.5655073903694943
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Energy: 0.612407725333642
Energy: 0.5655477232131279
Energy: 0.583473394260481
Energy: 0.6041308239165931
Energy: 0.6064999749234534
Energy: 0.5810178540680866
Energy: 0.6057790914050339
Energy: 0.5645913665273479
Energy: 0.5655228518955339
Energy: 0.6224870087565
Energy: 0.55918466271355
Energy: 0.6056577791360167
Energy: 0.5650315721604919
Energy: 0.5654652521545898
Energy: 0.6059188599003353
Energy: 0.5899836105808093
Energy: 0.6118379320973119
Energy: 0.5548871314085624
Energy: 0.587070345033715
Energy: 0.6061313092034957
Energy: 0.6598874681792073
Energy: 0.5649929959425839
Energy: 0.5581170490713225
Energy: 0.6047884040244633
Energy: 0.564827964801166
Energy: 0.6042158347809782
Energy: 0.6131804906191539
Energy: 0.5552409960954833
Energy: 0.5913661968514288
Energy: 0.5648262129716588
Energy: 0.6135381508524597
Energy: 0.6134566814795379
Energy: 0.5552334512328756
Energy: 0.5655834597409493
Energy: 0.5847478840711634
Energy: 0.5646949266031539
Energy: 0.6591699679275058
Energy: 0.6068560088575075
Energy: 0.6490234737645442
Energy: 0.5852244977398958
Energy: 0.5651868854141282
Energy: 0.6596568575873106
Energy: 0.6064750421784421
Energy: 0.614417663257004
Energy: 0.5552324498948419
Energy: 0.605558612343075
Energy: 0.5833904715111672
Energy: 0.6218880198980354
Energy: 0.5909000539848642
Energy: 0.5550206950759654
Energy: 0.6054132262752994
Energy: 0.5791876052803385
Energy: 0.6224622563843052
Energy: 0.5921947177235204

minimum gb energy = 0.5547104657182212 eV
minimum distance =  2.60995840076248 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.9182259876619946
Energy: 0.6004352527119854
Energy: 0.6202061325943877
Energy: 0.5789734753916628
Energy: 0.6538415029929856
Energy: 0.5692389958063162
Energy: 0.6707525208650177
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Energy: 0.6572133470735394
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Energy: 0.6730960137312888
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Energy: 0.5655964387629897
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Energy: 0.6310404658747621
Energy: 0.6590607778018996
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Energy: 0.6057130110508736
Energy: 0.6662048860436866
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Energy: 0.5676453349379461
Energy: 0.570231177303
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Energy: 0.5768832986665529
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Energy: 0.6351761624167563
Energy: 0.6123384576342896
Energy: 0.580470884304258
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Energy: 0.5708872079800553
Energy: 0.6564603684172579
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Energy: 0.5755301151651052
Energy: 0.6479164003107657
Energy: 0.6680032024084201
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Energy: 0.6056071310634056
Energy: 0.6480151506689973
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Energy: 0.580680417631261
Energy: 0.5533169597585642
Energy: 0.6135175255698478
Energy: 0.6369880290205894
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Energy: 0.5895140144970574
Energy: 0.6076530405082956
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Energy: 0.6575650170749655
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Energy: 0.6116626018510452
Energy: 0.5969262834140251
Energy: 0.6476249642325427
Energy: 0.6524318697756752
Energy: 0.6314929373437816
Energy: 0.6533748635088161
Energy: 0.6478289204410317
Energy: 0.6434082120928106
Energy: 0.6589029335471352
Energy: 0.5802206399878566
Energy: 0.6729774447258327
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Energy: 0.6471681522068956
Energy: 0.662895984094364
Energy: 0.5806555090020606
Energy: 0.5923801618454463
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Energy: 0.5884548441084468
Energy: 0.6929390789940967
Energy: 0.650951123862488
Energy: 0.5924464850043979
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Energy: 0.6944069450788889
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Energy: 0.6809424382090501
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Energy: 0.5734189126207102
Energy: 0.6914752631982719
Energy: 0.6841768389501661
Energy: 0.6827248984667909
Energy: 0.6393129766602497
Energy: 0.585699200833384
Energy: 0.5777955661475989
Energy: 0.6887318800219601
Energy: 0.5676619221163436
Energy: 0.571868418676218
Energy: 0.576904951897811
Energy: 0.5761764582274669
Energy: 0.6492320616743682
Energy: 0.5673955039457478
Energy: 0.5691837929209786
Energy: 0.5758605653801588
Energy: 0.5646822648921626
Energy: 0.623642680195425
Energy: 0.6385707801430353
Energy: 0.5676642084407046
Energy: 0.5633263168263388
Energy: 0.5647700976609505
Energy: 0.6241883584235911
Energy: 0.6343737119987788
Energy: 0.5667865144274357
Energy: 0.5632056000882042
Energy: 0.6501538082328743
Energy: 0.6028572896214796
Energy: 0.5689321628607756
Energy: 0.5826350057672885
Energy: 0.6376809086200244
Energy: 0.6345576460808466
Energy: 0.6021059874176183
Energy: 0.5646293621855997
Energy: 0.5914431355840605
Energy: 0.6408267958915819
Energy: 0.5633372739566078
Energy: 0.5682786618226102
Energy: 0.6686289470450543
Energy: 0.7147617155520157
Energy: 0.5860549720698969
Energy: 0.5705747224080193
Energy: 0.5760669912732181
Energy: 0.6728891972900828
Energy: 0.715888613990685
Energy: 0.5939946372621684
Energy: 0.5690311096086719
Energy: 0.5651912264171938
Energy: 0.563127748431268
Energy: 0.5798216349445017
Energy: 0.5737442468814647
Energy: 0.5736143095528452
Energy: 0.5821954784841508
Energy: 0.5687336605295819
Energy: 0.5749849738934126
Energy: 0.5696033854237577
Energy: 0.5724567446250665
Energy: 0.5564545295941581
Energy: 0.6466474484754793
Energy: 0.6532920261168662
Energy: 0.6715179475641072
Energy: 0.5790467884051773
Energy: 0.6034912394241555
Energy: 0.6464027141239089
Energy: 0.6333656067228316
Energy: 0.6799791081193906
Energy: 0.7169931084683346
Energy: 0.6681403693954435
Energy: 0.6693495179405089
Energy: 0.5677770006219878
Energy: 0.5843769283178694
Energy: 0.5719105243522159
Energy: 0.6631194680551487
Energy: 0.6111052952021987
Energy: 0.6052694787012975
Energy: 0.6011482861579288

minimum gb energy = 0.5482281611533809 eV
minimum distance =  2.56470854318253 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.7522569132191527
Energy: 0.5375818291517996
Energy: 0.6496907167877246
Energy: 0.6580876862416271
Energy: 0.5365227593554779
Energy: 0.7444286746114567
Energy: 0.6279254368087941
Energy: 0.6648982087824733
Energy: 0.6465523856860649
Energy: 0.6231632626855911
Energy: 0.5272187113368426
Energy: 0.6085287540897738
Energy: 0.6150562900333487
Energy: 0.6210893742442039
Energy: 0.6408970764124737
Energy: 0.5803619143225794
Energy: 0.6070563232424832
Energy: 0.616849864296067
Energy: 0.6012460782357308
Energy: 0.5470435003851503
Energy: 0.5829301914252543
Energy: 0.6015113408183684
Energy: 0.6098237365125303
Energy: 0.5490141194189919
Energy: 0.5767841014199746
Energy: 0.5937471218241684
Energy: 0.6553888879796689
Energy: 0.6079815496869966
Energy: 0.5491720835415044
Energy: 0.5779728814972157
Energy: 0.5752836703912377
Energy: 0.5435573440767686
Energy: 0.6000112238820268
Energy: 0.6557758634895727
Energy: 0.5908414025381518
Energy: 0.5489356970809365
Energy: 0.5364481568891326
Energy: 0.6064896453253591
Energy: 0.5855689177072662
Energy: 0.5908425795903962
Energy: 0.5457115133898243
Energy: 0.6199804685960278
Energy: 0.5562462826218659
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Energy: 0.6542748374465595
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Energy: 0.6094740842877063
Energy: 0.5494860293069005
Energy: 0.5601896769748573
Energy: 0.7038126806328051
Energy: 0.5690446934941555
Energy: 0.5469506055733981
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Energy: 0.7451486015215075
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Energy: 0.5464331994828161
Energy: 0.5832418991879489
Energy: 0.5960537342435335
Energy: 0.74467702254514
Energy: 0.5818146984724825
Energy: 0.5781460575411589
Energy: 0.5757807591474398
Energy: 0.5488237127481703
Energy: 0.555970205175511
Energy: 0.5814259133984169
Energy: 0.5784605876033924
Energy: 0.5722503460300572
Energy: 0.5511543994845084
Energy: 0.6159496493666394
Energy: 0.60557191835351
Energy: 0.5923631646919444
Energy: 0.5473515175622914
Energy: 0.682000008140852
Energy: 0.6127973452999578
Energy: 0.6064408928559767
Energy: 0.5817481567224742
Energy: 0.5470039522040048
Energy: 0.6831325351552257
Energy: 0.6577199883935143
Energy: 0.5430562555958011
Energy: 0.6011037756123223
Energy: 0.6798384269297583
Energy: 0.6082581320625189
Energy: 0.5891757063423851
Energy: 0.5435099339824
Energy: 0.6009692118904647
Energy: 0.6798458228039284
Energy: 0.6227512811000038
Energy: 0.5885787511140227
Energy: 0.6232586357632686
Energy: 0.6731614648462874
Energy: 0.5915791188873273
Energy: 0.7391804806652009
Energy: 0.6258755444900695
Energy: 0.5956121704665238
Energy: 0.6148513629012446
Energy: 0.5924494859006999
Energy: 0.7374279331469378
Energy: 0.621447292902278
Energy: 0.5263358683643176
Energy: 0.5257248626387343
Energy: 0.6645030216367843
Energy: 0.5812315717948696
Energy: 0.5252404417176304
Energy: 0.5262279707602372
Energy: 0.5260859055334298
Energy: 0.6660665164700055
Energy: 0.5824987413895902
Energy: 0.5494840483909517
Energy: 0.5369778579916469
Energy: 0.5320831812356266
Energy: 0.5296861836013979
Energy: 0.6111469793761349
Energy: 0.5290177768097521
Energy: 0.5377529903426147
Energy: 0.5334865094008575
Energy: 0.5291455881826514
Energy: 0.5284065492371524
Energy: 0.5297760934267177
Energy: 0.5261619415701339
Energy: 0.5286461813654644
Energy: 0.6786993947435043
Energy: 0.6780585827935222
Energy: 0.5988042509862187
Energy: 0.5308253900017339
Energy: 0.5284233200855415
Energy: 0.679690440257919
Energy: 0.6822548697563665
Energy: 0.6018719818132561
Energy: 0.6064625709805853
Energy: 0.6203004678218238
Energy: 0.5959753851872911
Energy: 0.6346918063983823
Energy: 0.5268243018216016
Energy: 0.6228961850621493
Energy: 0.6211423374200152
Energy: 0.6514342168307896
Energy: 0.5464774702523066
Energy: 0.5886874940722117

minimum gb energy = 0.5252404417176304 eV
minimum distance =  2.56716807890874 Angstroms
sigma value = 33