Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Al__MO_140175748626_004
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=4.032988503575325
cohesive_energy=2.9236454478732066
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=[1.5339527485710118e-19, 2.0736331303208398e-19, 2.476965076164e-19, 2.80163014927776e-19, 3.0726543486852e-19, 3.30372026284068e-19, 3.5033514714370797e-19, 3.6772837668241203e-19, 3.8296667864838596e-19, 3.9634966007218794e-19, 4.0814168009842795e-19, 4.18506160743774e-19, 4.27590502258554e-19, 4.3552127659685395e-19, 4.424010230632499e-19, 4.48316259195978e-19, 4.53353502533274e-19, 4.5757363578723e-19, 4.610263264335e-19, 4.63764446301006e-19, 4.658344585121339e-19, 4.67270008776198e-19, 4.68109549332414e-19, 4.68383521536828e-19, 4.6809993627261e-19, 4.671626629417199e-19, 4.654547426498759e-19, 4.628399903831879e-19, 4.591581884782559e-19, 4.542042583259279e-19, 4.47741077784372e-19, 4.394978790024419e-19, 4.2910295700104993e-19, 4.16130132795552e-19, 4.0004107503692395e-19, 3.8017248259869e-19, 3.55692825807804e-19, 3.25533452849388e-19, 2.88337320114444e-19, 2.42354850718644e-19, 1.85264490719322e-19, 1.139971105563876e-19, 2.4425503220656798e-20, -8.9175549271806e-20, -2.34794179182798e-19, -4.2400002442175997e-19, -6.738819009669359e-19, -1.010491200887166e-18, -1.4752650184675917e-18, -2.1373036297559998e-18, -3.1189892969404794e-18, -4.6540827952749e-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: 0.010249280698509037
Energy: 0.09366680953157011
Energy: 0.09348605687119571
Energy: 0.09280885003251403
Energy: 0.01442762411284578
Energy: 0.011292931712582532
Energy: 0.09343960209465853
Energy: 0.0940314814736259
Energy: 0.0923586148411846
Energy: 0.01362326388964794
Energy: 0.09162994490714702
Energy: 0.09663586892175523
Energy: 0.09353124807115457
Energy: 0.09404244000174711
Energy: 0.09349768613952952
Energy: 0.09181065550729363
Energy: 0.09620125337608564
Energy: 0.09341677264267441
Energy: 0.09442302888991798
Energy: 0.09311364709425986
Energy: 0.09379870495691539
Energy: 0.013177232579544444
Energy: 0.010568470976633318
Energy: 0.09178085177614606
Energy: 0.09277788859214287
Energy: 0.09284561670441724
Energy: 0.01549414287783967
Energy: 0.01054354712809206
Energy: 0.09167537847771771
Energy: 0.0935719794623718
Energy: 0.09299691506038858
Energy: 0.011376360932488316
Energy: 0.011395176060333693
Energy: 0.09524394541361624
Energy: 0.09167352422633436
Energy: 0.09356287590768513
Energy: 0.011772134509805942
Energy: 0.010808841520648857
Energy: 0.09256231000450879
Energy: 0.09156321720462969
Energy: 0.09243753450242755
Energy: 0.09239175247676014
Energy: 0.0944521392748567
Energy: 0.011827496217607265
Energy: 0.01120136485888142
Energy: 0.09202385258471016
Energy: 0.09268817800974714
Energy: 0.09365483473010436
Energy: 0.01237747404789729
Energy: 0.09515012188716247
Energy: 0.09374385577395979
Energy: 0.09187782972875115
Energy: 0.09234479965053063
Energy: 0.01107619497111764
Energy: 0.010678703003706788
Energy: 0.09442837761885535
Energy: 0.09148451962397731
Energy: 0.09282136121974698
Energy: 0.011544301805911303
Energy: 0.010755177277894486
Energy: 0.014715838622917626
Energy: 0.09440853492220325
Energy: 0.09287130561668122
Energy: 0.09415968894516646
Energy: 0.09499613347848081
Energy: 0.014286746567729613
Energy: 0.09512769372351722
Energy: 0.09236497584419244
Energy: 0.09484959115788119
Energy: 0.09427881388454555

minimum gb energy = 0.010249280698509037 eV
minimum distance =  2.8070050367358 Angstroms
sigma value = 3


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

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Energy: 0.7329691205525113
Energy: 0.8015092907903923
Energy: 0.7319771026035391
Energy: 0.7299106882555392
Energy: 0.7273208963356272
Energy: 0.7330504274194121
Energy: 0.8040546600351294
Energy: 0.7700655333379328
Energy: 0.8047712790466073
Energy: 0.6442888205408998
Energy: 0.8348003206507754
Energy: 0.805783686997878
Energy: 0.7315229775360615
Energy: 0.5962654715030348
Energy: 0.5963772289921369
Energy: 0.7657535094574672
Energy: 0.8439922930107356
Energy: 0.8028958135966604
Energy: 0.7024732730968284
Energy: 0.6540296701375585
Energy: 0.8390633943217185
Energy: 0.7129388195118614
Energy: 0.5943853069711539
Energy: 0.5959373730978094
Energy: 0.5940482345635989
Energy: 0.839169710955552
Energy: 0.7145628206413208
Energy: 0.5939968200523116
Energy: 0.5967499796879352
Energy: 0.598984927635691
Energy: 0.8433067125384844
Energy: 0.7977477039673015
Energy: 0.5935209604287326
Energy: 0.5963373766885122
Energy: 0.5946864577054177
Energy: 0.7749957568104845
Energy: 0.7135569572488109
Energy: 0.598269488001345
Energy: 0.5962307579754346
Energy: 0.7199654519154827
Energy: 0.8041687664459133
Energy: 0.9140135815142553
Energy: 0.7773200132894623
Energy: 0.611252251044274
Energy: 0.8049413744735389
Energy: 0.7286259825374901
Energy: 0.7652249325513878
Energy: 0.6850661214619125
Energy: 0.6958116856923341
Energy: 0.8305185214956182
Energy: 0.729036313281828
Energy: 0.8086253525676402
Energy: 0.6837513329483167
Energy: 0.7859592471431242
Energy: 0.8302266540915059
Energy: 0.8349154118703871
Energy: 0.790305858134894
Energy: 0.684511208876865
Energy: 0.7980932470456855
Energy: 0.8680837354258206
Energy: 0.8444104650071775
Energy: 0.78405876404267
Energy: 0.6804602242797558
Energy: 0.8061604568301793
Energy: 0.8578791127350679
Energy: 0.7324621400487686
Energy: 0.6816682335207707
Energy: 0.6800165879113127
Energy: 0.802290120203888
Energy: 0.8711508927342696
Energy: 0.8078814242521754
Energy: 0.8384204522084723
Energy: 0.8301053471872566
Energy: 0.8324745986128386
Energy: 0.8671330643397948
Energy: 0.8023575936615926
Energy: 0.8013830608592718
Energy: 0.7321014431911567
Energy: 0.8041649175195025
Energy: 0.8715053087085016
Energy: 0.7249736558171244
Energy: 0.59781301754906
Energy: 0.890353186488247
Energy: 0.8097404598747402
Energy: 0.8610783693845157
Energy: 0.719852932037598
Energy: 0.6715974649251728
Energy: 0.7200803906214771
Energy: 0.8065591925393395
Energy: 0.8370098728370767
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Energy: 0.6831659461489226
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Energy: 0.7092469364078828
Energy: 0.6598941179900961
Energy: 0.6784795988693059
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Energy: 0.6636662817210521
Energy: 0.7090681123435824
Energy: 0.7213677920822821
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Energy: 0.6794629980452137
Energy: 0.6576057478524937
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Energy: 0.8017436177438626
Energy: 0.8637070575216711
Energy: 0.8672910799336075
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Energy: 0.8712267656623558
Energy: 0.7501185708638137
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Energy: 0.8303913720479044
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Energy: 0.6814007058736482
Energy: 0.8037339553205846
Energy: 0.8037390210951898
Energy: 0.8402419917353272
Energy: 0.683836957621462
Energy: 0.7436439069559122
Energy: 0.8661188548897369
Energy: 0.8040873002476315
Energy: 0.8066319991582419
Energy: 0.7993376700343637
Energy: 0.8038385033457587
Energy: 0.8043292027454634
Energy: 0.8603248939895782
Energy: 0.8439196586275114
Energy: 0.8390450094280697
Energy: 0.8034448621834609
Energy: 0.8632569918399374
Energy: 0.8070789899365738
Energy: 0.8014916664676919
Energy: 0.6857823130012984
Energy: 0.803456776237964
Energy: 0.863556775585125
Energy: 0.8372806220142638
Energy: 0.6819786632848311
Energy: 0.7928961681702746
Energy: 0.8402079971365435
Energy: 0.832079258704835
Energy: 0.803705642927764
Energy: 0.6858751073889973
Energy: 0.6979773155341603
Energy: 0.8386295712898829
Energy: 0.713998004074582
Energy: 0.6955965575251298
Energy: 0.8654535753370409
Energy: 0.6499723528662408
Energy: 0.7448967878858735
Energy: 0.7159677126507705
Energy: 0.7417486463467672
Energy: 0.6827960308984854
Energy: 0.7044398428727802
Energy: 0.6382749588889464
Energy: 0.7139586957402797
Energy: 0.7398772555012
Energy: 0.7585771287722777
Energy: 0.7214188723579363
Energy: 0.7188903660788929
Energy: 0.6838930853798707
Energy: 0.6954441206198391
Energy: 0.7626742618162258
Energy: 0.7651425836535701
Energy: 0.8604707213515317
Energy: 0.8588948006542786
Energy: 0.684158743154894
Energy: 0.6765067992034426
Energy: 0.6962252601582063
Energy: 0.8681276799379203
Energy: 0.7755816564723553
Energy: 0.6842444969550906
Energy: 0.6810504510338797
Energy: 0.8298515218327965
Energy: 0.8366183457958295
Energy: 0.7560341794467542
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Energy: 0.7885717963318069
Energy: 0.8298219714582087
Energy: 0.8357595364016699
Energy: 0.7337435072051042
Energy: 0.8379210092286618
Energy: 0.7916060595345751
Energy: 0.8664885415517671
Energy: 0.8016417928198885
Energy: 0.6925984332176113
Energy: 0.6802264522448717
Energy: 0.8047513295120956
Energy: 0.8599208092542603
Energy: 0.8631474838734118
Energy: 0.6965398990556307
Energy: 0.6803645594787662
Energy: 0.8314726530901076
Energy: 0.8747490724756819
Energy: 0.8021215338356835
Energy: 0.7305912185835224
Energy: 0.7347165281482524
Energy: 0.8037683659630978
Energy: 0.8600850779487644
Energy: 0.8081946042551965
Energy: 0.7736731607530402
Energy: 0.8297967437931479
Energy: 0.8323474021529221
Energy: 0.8696361835032747
Energy: 0.8027344459920738
Energy: 0.6711935930338718
Energy: 0.7208883304928266
Energy: 0.8060082864663793
Energy: 0.8663598340443143
Energy: 0.7233570226796657
Energy: 0.7799764262153727
Energy: 0.8266692256103644
Energy: 0.8086075749948685
Energy: 0.8266420615548906
Energy: 0.6800384883475652
Energy: 0.6821972289743331
Energy: 0.7206515765262475
Energy: 0.7089874814775194
Energy: 0.6861835022306507
Energy: 0.6849745367022531
Energy: 0.6828158514023346
Energy: 0.7254025985496607
Energy: 0.7088286121728175
Energy: 0.5990455916409857
Energy: 0.6797762388518109
Energy: 0.7014496801008863
Energy: 0.6887840866636575
Energy: 0.7090972073942856
Energy: 0.7207616657662945
Energy: 0.7043756948366017
Energy: 0.6856986453134789
Energy: 0.7964325910228787
Energy: 0.7088940133601569
Energy: 0.694475514176587
Energy: 0.6842026799204892
Energy: 0.6828411574512735
Energy: 0.8303705567667391
Energy: 0.839732785712596
Energy: 0.5984903682235779
Energy: 0.5981202539140059
Energy: 0.7737449023317129
Energy: 0.8684662335961684
Energy: 0.8397492384268846
Energy: 0.7493374910814707
Energy: 0.8534360058898582
Energy: 0.6943709869428797
Energy: 0.7628090937733141
Energy: 0.8298474737895265
Energy: 0.693899908740206
Energy: 0.5957472122160457
Energy: 0.6948177264666068
Energy: 0.8391408386191291
Energy: 0.830119393711946
Energy: 0.6437372093461694
Energy: 0.707734769432829
Energy: 0.8012908006718052
Energy: 0.7323213282257426
Energy: 0.7321437572696461
Energy: 0.5980803087794428
Energy: 0.5962523215829718
Energy: 0.8049467147539513
Energy: 0.7658488489365963
Energy: 0.7824811288843384
Energy: 0.8040130383467695
Energy: 0.7327970939219001
Energy: 0.801669942987416
Energy: 0.7318655027641229
Energy: 0.7300021801185701
Energy: 0.7268524664861248
Energy: 0.7333021951632585
Energy: 0.8031308112968643
Energy: 0.7324619934600975
Energy: 0.7285927762203168

minimum gb energy = 0.5935209604287326 eV
minimum distance =  2.44499729475551 Angstroms
sigma value = 75


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

Energy: 2.1238200805595957
Energy: 0.9059095267607734
Energy: 0.9420078084741326
Energy: 0.9074303984207931
Energy: 0.8993676401571901
Energy: 0.8933451801071114
Energy: 0.9081798288876071
Energy: 0.8268112389812683
Energy: 0.9290404039205158
Energy: 0.8926877850078123
Energy: 0.880254944120809
Energy: 0.9942702507112658
Energy: 0.8390966485104114
Energy: 0.8196526785743337
Energy: 0.8223339864635353
Energy: 0.7751957878456824
Energy: 0.9146614661073666
Energy: 0.8244538905992382
Energy: 0.8527134580604855
Energy: 0.8410103646557217
Energy: 0.8888271155380301
Energy: 0.9738246453688428
Energy: 0.9242500094570829
Energy: 0.8693171396277309
Energy: 0.8585552410773106
Energy: 0.7737835098439477
Energy: 0.9746985885512442
Energy: 0.9237639143486592
Energy: 0.8441246226535836
Energy: 0.7636856549221589
Energy: 0.8496100824993436
Energy: 0.7953021002979099
Energy: 0.9806561600201162
Energy: 0.7736824224304693
Energy: 0.80477572164433
Energy: 0.8569386261158687
Energy: 0.8352074168146721
Energy: 0.7747391901136498
Energy: 0.911166864633943
Energy: 0.7636034513570332
Energy: 0.9218548859128769
Energy: 0.8164738871273051
Energy: 0.9376525171112999
Energy: 1.0065525228984553
Energy: 0.9569959587109856
Energy: 0.9049461731691464
Energy: 0.8160693360011875
Energy: 0.8991245476204829
Energy: 0.958108726002713
Energy: 0.9609087608865469
Energy: 0.9421162671772088
Energy: 0.924778442936175
Energy: 0.9326282628737282
Energy: 0.8470365474572249
Energy: 0.9641097547089733
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Energy: 0.9657641151885465
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Energy: 0.8302355774510494
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Energy: 1.0067662298328368
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Energy: 0.8440236776638639
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Energy: 0.8176542772584148
Energy: 0.8585657113422925
Energy: 0.8331638503732197
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Energy: 0.8289241378883575
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Energy: 0.9077438815113535
Energy: 0.8106928005661602
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Energy: 0.8691011444222074
Energy: 0.9012435467658081
Energy: 0.832117406990457
Energy: 0.9272542233610604
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Energy: 0.9279405560209439
Energy: 0.9319924293957855
Energy: 0.9416703773141438
Energy: 0.9377233064252124
Energy: 0.9363731754407254
Energy: 0.9248852597328575
Energy: 0.9294640543655758
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Energy: 0.9065714763085597
Energy: 1.004535756009313
Energy: 0.9321113208545924
Energy: 0.8339721877205432
Energy: 0.9265741017075529
Energy: 0.8233117934248584
Energy: 0.9182076731988627
Energy: 0.9167598042943598
Energy: 0.8270474819068104
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Energy: 0.855885172370197
Energy: 0.8596917546792945
Energy: 0.7543196811083072
Energy: 0.8593512978996017
Energy: 0.8411634700783626
Energy: 0.7705626212689445
Energy: 0.8448091612516591
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Energy: 0.8805594608600833
Energy: 0.905465502675343
Energy: 0.8172828293934973
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Energy: 0.8949992347153278
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Energy: 0.8225847787349633
Energy: 0.9402501660227455
Energy: 0.8628061675545218
Energy: 0.989684004633553
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minimum gb energy = 0.7523997959418833 eV
minimum distance =  2.48566281243116 Angstroms
sigma value = 105


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

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Energy: 0.8269478480005987
Energy: 0.898372764579821
Energy: 0.9093301035960767
Energy: 0.7700359270823106
Energy: 0.9953805079785647
Energy: 0.8328870142408532
Energy: 0.9437405353200798
Energy: 0.943157162761475
Energy: 0.8279682653682123
Energy: 0.9022718785000826
Energy: 0.8759494340854833
Energy: 0.9036357659355413
Energy: 0.9172102403908666
Energy: 0.8291942096781506
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Energy: 0.8700016806336786
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Energy: 0.9006075790698771
Energy: 0.9371863403563199
Energy: 0.98378290459714
Energy: 0.9244920612312019
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Energy: 0.7707268232268094
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Energy: 0.7705576216235922
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Energy: 0.8436409789847128
Energy: 0.8741309473876743
Energy: 0.9031142312852155
Energy: 0.8096217407918531
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Energy: 0.9265845084449212
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Energy: 0.802631948095898
Energy: 0.9129518948564852
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Energy: 0.8705972420415965
Energy: 0.8372032803470298
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Energy: 0.9135236380301877
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Energy: 0.8846626290483354
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Energy: 0.8730405222418951
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Energy: 0.7712775906217838
Energy: 0.7749856773744044
Energy: 0.866759803840282
Energy: 0.8803019435976799
Energy: 0.8392084706142868
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Energy: 0.7764832207355549
Energy: 0.8871242401391122
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Energy: 0.7772057908516445
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Energy: 0.7683737382236706
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Energy: 0.8693256856354872
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Energy: 0.8535359595335517
Energy: 0.9428305334681691
Energy: 0.8996638180465372
Energy: 0.8553338072646787
Energy: 0.8984147019591137
Energy: 0.8535742612806577
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Energy: 0.8985578398255808
Energy: 0.8799336905107742
Energy: 0.9256762553154372
Energy: 0.9311930842095439
Energy: 0.9404467785480253
Energy: 0.9438962271576367
Energy: 0.9655503034811167
Energy: 0.9129782215780262
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Energy: 0.9348971931802441
Energy: 0.9333421804839283
Energy: 0.8667749617877609
Energy: 0.8715299504218289
Energy: 0.853715721707268
Energy: 0.9815088282813932
Energy: 0.8239725637078177
Energy: 0.8696060749141642
Energy: 0.9047574460294927
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Energy: 0.9225675434133226
Energy: 0.7768039831503771
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Energy: 0.898067394797433
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Energy: 0.859654073081039
Energy: 0.8995203282373242
Energy: 0.8273318860934434
Energy: 0.9023783812491607
Energy: 0.8869986686806595
Energy: 0.8327584779011367
Energy: 0.9190903115282287
Energy: 0.9929689713333313
Energy: 0.8568546598473774
Energy: 0.8989878822542907
Energy: 0.855785370157105
Energy: 0.8543415178179924
Energy: 0.9818272801660852
Energy: 0.8849417284562375
Energy: 0.9032634225106438
Energy: 0.8742929170526215
Energy: 0.9010699120348808
Energy: 0.9813916859394685
Energy: 0.8403552272048506
Energy: 0.8777404117548424
Energy: 0.8685089708493641
Energy: 0.9311875878382461
Energy: 0.9844168566284854
Energy: 0.802403666447539
Energy: 0.936186024328937
Energy: 0.8677749198496678
Energy: 0.9576728351534594
Energy: 0.9055081580833427
Energy: 0.9890165724647164
Energy: 0.9888149366750435
Energy: 0.8697986449216545
Energy: 0.935126006786918
Energy: 0.803055954387863
Energy: 0.981095588712917
Energy: 0.9817575319962447
Energy: 0.8761661795984684
Energy: 0.9496723520697875
Energy: 0.8709513682594359
Energy: 0.9056135368737656
Energy: 0.8992070587238491
Energy: 0.770878022842684
Energy: 0.9084991961017559
Energy: 0.8705274253455864
Energy: 0.9007386578070617
Energy: 0.897920284000663
Energy: 0.7698315100282351
Energy: 0.880019730013222
Energy: 0.8906604806119939
Energy: 0.8993822863120765
Energy: 0.8999391190546536
Energy: 0.8125541982818286
Energy: 0.8858378850755554
Energy: 0.9002022048784736
Energy: 0.902890110220401
Energy: 0.9000508062151413
Energy: 0.816384940604061
Energy: 0.8858537479918978
Energy: 0.8978776484919551
Energy: 0.9212103063495579
Energy: 0.7697403811875583
Energy: 0.8986058146460152
Energy: 0.8190561125681338
Energy: 0.8447385565245388
Energy: 0.9089904290850157
Energy: 0.802300668044635
Energy: 0.8987262218983653
Energy: 0.8884628004689052
Energy: 0.9090749248834316
Energy: 0.9265306260268651
Energy: 0.9256983699389046
Energy: 0.8446382868468345
Energy: 0.8695081170652639
Energy: 0.8446786044095909
Energy: 0.8443809421604314
Energy: 0.8438979398944825
Energy: 0.8125765729236104
Energy: 0.8266334237930433
Energy: 0.8680423004210406
Energy: 0.9088567764052244
Energy: 0.9207864984182711
Energy: 0.9216893736642148
Energy: 0.8262751340139214
Energy: 0.8450130293954853
Energy: 0.8434923939918731
Energy: 0.9087666136227537
Energy: 0.9083424242367424
Energy: 0.8837450237044424
Energy: 0.869654319201183
Energy: 0.8503374414123814
Energy: 0.8253128391438406
Energy: 0.8451056417865533
Energy: 0.8105378349038624
Energy: 0.9158094663597144
Energy: 0.8483857076725378
Energy: 0.8694749020193622
Energy: 0.8979827114008433
Energy: 0.8106992669934256
Energy: 0.8969362930043302
Energy: 0.9010924017227079
Energy: 0.8444183138213922
Energy: 0.8723120227844994
Energy: 0.8967743889916291
Energy: 0.9240269636572336
Energy: 0.9527897776882627
Energy: 0.8684697574713568
Energy: 0.8722974311159651
Energy: 0.8966601408027766
Energy: 0.9201930463283612
Energy: 0.902052288510822
Energy: 0.7717994135109184
Energy: 0.7711827713927043
Energy: 0.8465390950620046
Energy: 0.8275305603826606
Energy: 0.8569360411001363
Energy: 0.771737215484486
Energy: 0.7708846649921174
Energy: 0.9018154968134465
Energy: 0.8249721039881035
Energy: 0.7683032618691918
Energy: 0.7705147175763919
Energy: 0.7703155002236777
Energy: 0.7680115953463199
Energy: 0.7628753204549452
Energy: 0.7684053553757894
Energy: 0.7710026503767297
Energy: 0.7703196288499592
Energy: 0.8668911354755563

minimum gb energy = 0.7628753204549452 eV
minimum distance =  2.45185503332343 Angstroms
sigma value = 165


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

Energy: 1.3084529821368833
Energy: 0.8238305417599469
Energy: 0.8231778807192087
Energy: 0.8534596020208288
Energy: 0.8513467757351353
Energy: 0.8681615788801816
Energy: 0.8241053244300203
Energy: 0.8232423499386781
Energy: 0.8536559320847792
Energy: 0.8512574067922175
Energy: 0.8552014086983902
Energy: 0.8544863967945874
Energy: 0.8174648884210762
Energy: 0.8640238040785193
Energy: 0.8239625503365772
Energy: 0.8540321873141374
Energy: 0.8547087144744093
Energy: 0.8537105035078598
Energy: 0.8634763126883053
Energy: 0.8224491385071747
Energy: 0.8286568246520584
Energy: 0.884597161288846
Energy: 0.8512714634010163
Energy: 0.8280250245762076
Energy: 0.874231790655604
Energy: 0.8279893088113112
Energy: 0.8844650102717025
Energy: 0.8317299965541916
Energy: 0.8281971336760309
Energy: 0.8747723582952059
Energy: 0.8750135513365344
Energy: 0.8653034579410067
Energy: 0.8566478800537293
Energy: 0.82805726244441
Energy: 0.8145282934350188
Energy: 0.8837653744247969
Energy: 0.8579616501596145
Energy: 0.8574507324355618
Energy: 0.8282876004294052
Energy: 0.8741887611815118
Energy: 0.8561880324705627
Energy: 0.8528794880710274
Energy: 0.8598181458981566
Energy: 0.8632974592689588
Energy: 0.8544219183014055
Energy: 0.8565382361091267
Energy: 0.8230473075660188
Energy: 0.8597254218989114
Energy: 0.8636535711534115
Energy: 0.821925161937034
Energy: 0.8539286444835791
Energy: 0.8522219612993013
Energy: 0.8553025738542344
Energy: 0.8105361984894823
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Energy: 0.8545852359702274
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Energy: 0.8549550300874087
Energy: 0.814321580003548
Energy: 0.8234973199071638
Energy: 0.8879956745534082
Energy: 0.8573463308452959
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Energy: 0.8219778083541898
Energy: 0.8240343175138649
Energy: 0.9029086402827072
Energy: 0.8556974371920106
Energy: 0.8538892009966457
Energy: 0.8222978557671844
Energy: 0.8234254705896337
Energy: 0.8696016200067279
Energy: 0.8169480766940547
Energy: 0.8544116640004291
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Energy: 0.8553483342222915
Energy: 0.8111656465146002
Energy: 0.818600731848759
Energy: 0.854285604767484
Energy: 0.8566997789920393
Energy: 0.8181743893276168
Energy: 0.8109509413288244
Energy: 0.887574225228752
Energy: 0.8184333782026394
Energy: 0.8541302454148313
Energy: 0.8611349996935593
Energy: 0.8111974711504711
Energy: 0.8551531903164252
Energy: 0.8187244755894664
Energy: 0.8541985194260789
Energy: 0.8220697954475493
Energy: 0.9039042075404976
Energy: 0.828923909944996
Energy: 0.8549489961057181
Energy: 0.8543025508218104
Energy: 0.8234195921800533
Energy: 0.8888011989901058
Energy: 0.8237752317576917
Energy: 0.8582377880004678
Energy: 0.8544943206623227
Energy: 0.822657575994913
Energy: 0.8731887571586763
Energy: 0.8290323090568548
Energy: 0.8211502392175786
Energy: 0.8813826962068898
Energy: 0.8749632734630708
Energy: 0.8563512794076471
Energy: 0.8293437397626755
Energy: 0.8210086380528231
Energy: 0.8819314987300528
Energy: 0.8135924401934304
Energy: 0.856745772991547
Energy: 0.8562191657604237
Energy: 0.8562679864975504
Energy: 0.8547772191281495
Energy: 0.8107093067246256
Energy: 0.8568319294298902
Energy: 0.8539584307196209
Energy: 0.8568428707288723
Energy: 0.8549746040695719
Energy: 0.8728745959205174
Energy: 0.8772611312624061
Energy: 0.8541243030160567
Energy: 0.8225056355149837
Energy: 0.8540416481751277
Energy: 0.8221995767023724
Energy: 0.8768851491248564
Energy: 0.8517975768330517
Energy: 0.8222532879698475
Energy: 0.8543554565844016
Energy: 0.8216231351070591
Energy: 0.8576931790115807
Energy: 0.8506836887183254
Energy: 0.8230593665601796
Energy: 0.8159175300874028
Energy: 0.8594192364492653
Energy: 0.8592013107029502
Energy: 0.8506908055480132
Energy: 0.822353340076509
Energy: 0.8151140730923045
Energy: 0.8603267461346444
Energy: 0.8170681830729564
Energy: 0.8570244218827093
Energy: 0.8532950073020523
Energy: 0.8244416144977235
Energy: 0.854597770489605
Energy: 0.849198975144786
Energy: 0.8543416905243102
Energy: 0.8538752507281181
Energy: 0.8253415718393785
Energy: 0.8545842919813698

minimum gb energy = 0.8105361984894823 eV
minimum distance =  2.57234861691286 Angstroms
sigma value = 41


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

Energy: 0.7780267410683794
Energy: 0.6974491264827382
Energy: 0.7299408964552058
Energy: 0.6990802030510839
Energy: 0.6797759161572581
Energy: 0.6825916665369387
Energy: 0.6970018429394986
Energy: 0.7233579477216374
Energy: 0.7306703898020217
Energy: 0.8018623141144975
Energy: 0.8085385631156391
Energy: 0.7701942576128373
Energy: 0.7006288506883249
Energy: 0.7592772695667547
Energy: 0.7894875982205167
Energy: 0.7930668699880545
Energy: 0.6947201412861749
Energy: 0.7308005781880221
Energy: 0.7790279893352787
Energy: 0.8027200201187632
Energy: 0.758428114926062
Energy: 0.7921444577277418
Energy: 0.7622728132812354
Energy: 0.772529917114379
Energy: 0.81647724053787
Energy: 0.7679086152776134
Energy: 0.7711764698585947
Energy: 0.7876442168288447
Energy: 0.7777544442663524
Energy: 0.7988227810844595
Energy: 0.8124106509240752
Energy: 0.7577268452320118
Energy: 0.8348676854562326
Energy: 0.7732174520943043
Energy: 0.7979774703720487
Energy: 0.8131185510606255
Energy: 0.7297613859243434
Energy: 0.7620950410090823
Energy: 0.783253735699644
Energy: 0.7871499756173012
Energy: 0.8142460488262594
Energy: 0.7784071325614684
Energy: 0.7768400924307983
Energy: 0.7778873650909949
Energy: 0.7687682448146327
Energy: 0.7700992193681954
Energy: 0.7582172556946986
Energy: 0.8335127402646995
Energy: 0.8173918366357131
Energy: 0.7997928823059889
Energy: 0.7820687778307177
Energy: 0.7960726714702574
Energy: 0.79846116330914
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Energy: 0.811301433041079
Energy: 0.8335243681218935
Energy: 0.7973238875753422
Energy: 0.8217711181664302
Energy: 0.7172098361170083
Energy: 0.791755254768798
Energy: 0.7859095842242227
Energy: 0.8141968142161574
Energy: 0.8132718926744192
Energy: 0.7167188006641093
Energy: 0.8018137664803572
Energy: 0.7732054437186542
Energy: 0.7611719972195331
Energy: 0.7611894181908048
Energy: 0.7189254777206687
Energy: 0.8124465358014094
Energy: 0.7628022422209917
Energy: 0.7666380435459352
Energy: 0.7189187355584937
Energy: 0.7716717966237301
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Energy: 0.7440158999056077
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Energy: 0.7670727056458602
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Energy: 0.8109537802746781
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Energy: 0.7446633589971681
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Energy: 0.7905007831932165
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Energy: 0.722779422421504
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Energy: 0.7443400421171195
Energy: 0.8029696768621574
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Energy: 0.7205665246116065
Energy: 0.719416710570828
Energy: 0.7401401887189389
Energy: 0.8089806392288084
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Energy: 0.7461301748778415
Energy: 0.7199579355945219
Energy: 0.8032590111015939
Energy: 0.8101308892189155
Energy: 0.7526067238511486
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Energy: 0.7981678921668931
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Energy: 0.7639067399788622
Energy: 0.7474500992853522
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Energy: 0.7892722119024945
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Energy: 0.7207616804082391
Energy: 0.7490884387778771
Energy: 0.7259304032205154
Energy: 0.800102161580313
Energy: 0.7967476817275282
Energy: 0.7320798281929983
Energy: 0.7515052976199955
Energy: 0.7208661516554934
Energy: 0.7887396416377581
Energy: 0.7841650984126094
Energy: 0.7260651252842336
Energy: 0.7965810313233873
Energy: 0.8202496692136081
Energy: 0.8177236001977939
Energy: 0.8163855242903518
Energy: 0.6952342761968633
Energy: 0.7951060338639625
Energy: 0.797796955558713
Energy: 0.805711057844831
Energy: 0.7844819999334731
Energy: 0.7227884124866029
Energy: 0.7874757666284959
Energy: 0.8163397058813586
Energy: 0.789268321237602
Energy: 0.7819716726289717
Energy: 0.723644366029217
Energy: 0.7838564227225555
Energy: 0.8166983988395624
Energy: 0.7888148220977115
Energy: 0.7977726767722931
Energy: 0.7212372645998557
Energy: 0.7840559131996491
Energy: 0.810877568219365
Energy: 0.8158056517673439
Energy: 0.7980451985706966
Energy: 0.8202891411864923
Energy: 0.7959471041264076
Energy: 0.8117596060902509
Energy: 0.8217891260666019
Energy: 0.803991903614127
Energy: 0.7900185622867735
Energy: 0.8316463051322762
Energy: 0.8530410857186543
Energy: 0.8197972295516545
Energy: 0.7362574491138784
Energy: 0.8243704282924347
Energy: 0.813979440579726
Energy: 0.7783607941634845
Energy: 0.8075264964941289
Energy: 0.7361308859202012
Energy: 0.8254680564937452
Energy: 0.813824466662746
Energy: 0.8105011449127041
Energy: 0.8069545777139921
Energy: 0.7842477506269214
Energy: 0.8216481197874395
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Energy: 0.8111883189954552
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Energy: 0.7214622361630836
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Energy: 0.7418614058529951
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Energy: 0.8135925147421612
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Energy: 0.7864389420026832
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Energy: 0.7205311704507156
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Energy: 0.7666063704765534
Energy: 0.7760517373429509
Energy: 0.8196116750910272
Energy: 0.7217379426447174
Energy: 0.800267104392529
Energy: 0.8064746376395987
Energy: 0.8167211110716305
Energy: 0.8285789788645959
Energy: 0.7389639894549568
Energy: 0.7982452951410365
Energy: 0.7608683390222399
Energy: 0.8025856581722268
Energy: 0.7643624384836429
Energy: 0.7734634385107713
Energy: 0.8163949134122417
Energy: 0.8154838310830992
Energy: 0.700934331485921
Energy: 0.7294334280872745
Energy: 0.7704427005503236
Energy: 0.8110823604066694
Energy: 0.8098689070202346
Energy: 0.7624916209243983
Energy: 0.7699319943432228
Energy: 0.7016448273342426
Energy: 0.7011868622714661
Energy: 0.7995021734836869
Energy: 0.770817229301968
Energy: 0.7158598861994954
Energy: 0.7417161350120735
Energy: 0.752272798729146
Energy: 0.7992297365572761
Energy: 0.7230501825115598
Energy: 0.7306647596474461
Energy: 0.764744187596455
Energy: 0.791684328894661
Energy: 0.7073790085613615
Energy: 0.7107755586758558
Energy: 0.769695133692705
Energy: 0.7015224170602086
Energy: 0.8084077708041454
Energy: 0.7467450912818335
Energy: 0.7748442770738453
Energy: 0.7277292728060971
Energy: 0.7449957547306532
Energy: 0.7758734220706728
Energy: 0.7221844520270673
Energy: 0.6983992463670518
Energy: 0.7332944292288748
Energy: 0.7451623871963016
Energy: 0.7783970320707138
Energy: 0.7305410471802373
Energy: 0.7704645450509622
Energy: 0.7351297492164933
Energy: 0.8277320072812073
Energy: 0.8264661987798226
Energy: 0.7363182390755052
Energy: 0.7306467810247049
Energy: 0.6964379996877743
Energy: 0.7694896620404759
Energy: 0.7838137232376042
Energy: 0.7298667264846294
Energy: 0.6972717710550735
Energy: 0.7347008871655827
Energy: 0.7995161904344481
Energy: 0.6963531340186502
Energy: 0.7297494723389049
Energy: 0.7002072029284788
Energy: 0.6950624934259568
Energy: 0.7868379262651048
Energy: 0.6961754471072459
Energy: 0.700706480067958
Energy: 0.700784083131294
Energy: 0.7168622219826722

minimum gb energy = 0.6797759161572581 eV
minimum distance =  2.58004307630492 Angstroms
sigma value = 185


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

Energy: 0.36424375897534933
Energy: 0.34446051179757764
Energy: 0.3445651239658961
Energy: 0.34121453770357524
Energy: 0.33456007865047277
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Energy: 0.344273315480092
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Energy: 0.3572731704528535
Energy: 0.3453770375505554
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Energy: 0.34093563016113404
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Energy: 0.3484840375678586
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Energy: 0.3328432929230979
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Energy: 0.34227494916597023
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Energy: 0.3418268956682584
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Energy: 0.3432353449504296
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Energy: 0.3327522833095587
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Energy: 0.33353925290765735
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Energy: 0.3638137142129006
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Energy: 0.34783745688954515
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Energy: 0.34114336432652037
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Energy: 0.3535604158558319
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Energy: 0.3428472238217303
Energy: 0.33364560030551527
Energy: 0.3329876578861287
Energy: 0.34421740347734975
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Energy: 0.34366706121071317
Energy: 0.3344880017706343
Energy: 0.33288077866262394
Energy: 0.3442098558848711
Energy: 0.34335262892742335
Energy: 0.35714615920403675
Energy: 0.3430166250061092
Energy: 0.3327173120540375
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Energy: 0.35356079575845417
Energy: 0.34281449306607753
Energy: 0.34269151024120265
Energy: 0.34355887023734927
Energy: 0.34822322871376354
Energy: 0.3422456256958104
Energy: 0.33275478759149985
Energy: 0.3456587874614997
Energy: 0.3507190612313288
Energy: 0.34294750044583217
Energy: 0.34186848401123887
Energy: 0.333193872205164
Energy: 0.34518598052505944
Energy: 0.3511611783949742
Energy: 0.3425373956142755
Energy: 0.3332317065773395
Energy: 0.33358777948134427
Energy: 0.3497709806877241
Energy: 0.3441562990816337
Energy: 0.3417700328991741
Energy: 0.33289382770261006
Energy: 0.33398841193383844
Energy: 0.34841427137098
Energy: 0.3446933641861293
Energy: 0.34181260397245966
Energy: 0.35268671074018865
Energy: 0.344480891696758
Energy: 0.3421288758940137
Energy: 0.34292506051971205
Energy: 0.34455358836960903
Energy: 0.3481543947890925
Energy: 0.34468259732147316
Energy: 0.3419269017878778
Energy: 0.34299352048777054
Energy: 0.34595349090960736
Energy: 0.33351824012256953
Energy: 0.34262642742693905
Energy: 0.34565128748058754
Energy: 0.3484149944963232
Energy: 0.3443228674956463
Energy: 0.3327310237487866
Energy: 0.3427341253117897
Energy: 0.3459476604883543
Energy: 0.351866069144241
Energy: 0.3350478477672304

minimum gb energy = 0.33140718502567534 eV
minimum distance =  2.72138291362853 Angstroms
sigma value = 33


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

Energy: 0.7072810507824684
Energy: 0.6974854512104856
Energy: 0.705440373337168
Energy: 0.6948047805726428
Energy: 0.687105089140429
Energy: 0.6847866398415338
Energy: 0.6973038011943651
Energy: 0.6917185555082742
Energy: 0.7013411906430203
Energy: 0.6948379304020309
Energy: 0.7022980346712322
Energy: 0.6967399297334724
Energy: 0.6943266708988015
Energy: 0.6870012214829141
Energy: 0.6913823380182228
Energy: 0.7072646072196305
Energy: 0.6893025052206865
Energy: 0.6883055031385653
Energy: 0.7048889367804816
Energy: 0.6997511595615238
Energy: 0.6952422424178386
Energy: 0.6948011257556534
Energy: 0.7088688408322067
Energy: 0.6960020810569835
Energy: 0.6990199110436977
Energy: 0.6904327721519413
Energy: 0.6928942772544133
Energy: 0.6924368384431404
Energy: 0.6980534459121757
Energy: 0.6994982459224853
Energy: 0.6978101834294129
Energy: 0.6968911072319449
Energy: 0.6921667879097567
Energy: 0.703210984316324
Energy: 0.700899962169636
Energy: 0.6925738675934262
Energy: 0.6992235763718869
Energy: 0.6936862325658704
Energy: 0.7065977169260063
Energy: 0.6994822469639971
Energy: 0.7035926961735666
Energy: 0.7021189235534385
Energy: 0.6961304696592071
Energy: 0.6971243294820623
Energy: 0.6902007538912905
Energy: 0.7066998107265019
Energy: 0.7015547980990512
Energy: 0.6993954329354757
Energy: 0.695516559405077
Energy: 0.7023490837277608
Energy: 0.6982243796664163
Energy: 0.7036063066903928
Energy: 0.7147497185857069
Energy: 0.6913922890674218
Energy: 0.6927892738806917
Energy: 0.6992836135912612
Energy: 0.7067919505730745
Energy: 0.7110598778832514
Energy: 0.6918322791259772
Energy: 0.6929086624666042
Energy: 0.691142854320688
Energy: 0.6982211468286434
Energy: 0.7050139793495722
Energy: 0.696525963123394
Energy: 0.6987484898574248
Energy: 0.7021586131223704
Energy: 0.6976825989910354
Energy: 0.7018904410031187
Energy: 0.6963032124665157
Energy: 0.7030199378219527
Energy: 0.7022044206973951
Energy: 0.6979191446076811
Energy: 0.697545467164544
Energy: 0.7024907107887883
Energy: 0.7003422544501821
Energy: 0.7018542901771664
Energy: 0.6995879474238728
Energy: 0.6971506148026391
Energy: 0.7045692737411166
Energy: 0.7032579618340367
Energy: 0.7048853944980733
Energy: 0.6988658310426016
Energy: 0.6897182748802774
Energy: 0.690314806877442
Energy: 0.6959296243589457
Energy: 0.7012750851086267
Energy: 0.6994084313982977
Energy: 0.6894892796988304
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Energy: 0.693766451329562
Energy: 0.6962197589078001
Energy: 0.6942219990710146

minimum gb energy = 0.6764556550815022 eV
minimum distance =  2.53774126557244 Angstroms
sigma value = 219


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

Energy: 0.9440285593877029
Energy: 0.9593187831020945
Energy: 0.9652411884856446
Energy: 0.9557894636652146
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Energy: 0.9667222023161586
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Energy: 0.9582645795626734
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Energy: 0.9704499991937893
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Energy: 0.9556011915404091
Energy: 0.9511693274134365
Energy: 0.9461261425844648
Energy: 0.9492708727879381
Energy: 0.9701975996421525
Energy: 0.968021491957906
Energy: 0.9551276154143467
Energy: 0.9704410837644402
Energy: 0.9471487693650417
Energy: 0.9552449749253957
Energy: 0.9566785984349107
Energy: 0.9601824306306159
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Energy: 0.9504551989951749
Energy: 0.9584478831781034
Energy: 0.9643228851875628
Energy: 0.981047765741538
Energy: 0.9787288487863651
Energy: 0.9515590473218551
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Energy: 0.9588338271076806
Energy: 0.962756854992834
Energy: 0.9784936523594385
Energy: 0.9511161415680812
Energy: 0.9553437587165414
Energy: 0.9585132596875243

minimum gb energy = 0.9440285593877029 eV
minimum distance =  2.57784164743797 Angstroms
sigma value = 15


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

Energy: 1.082251361912095
Energy: 1.0804401140873399
Energy: 1.1193276280569835
Energy: 1.0774957789855575
Energy: 1.1002004132254144
Energy: 1.0706364474130465
Energy: 1.0822464210947709
Energy: 1.096481329819056
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Energy: 1.1077218852109278
Energy: 1.0997592924679715
Energy: 1.0865483443718882
Energy: 1.0785663648671473
Energy: 1.0777108351779698
Energy: 1.085727087815532
Energy: 1.088703858629866
Energy: 1.082235330017549
Energy: 1.0792181630271487
Energy: 1.0775905938348131
Energy: 1.0867867510750073
Energy: 1.0985904513250282
Energy: 1.0869055750875025
Energy: 1.0854983231849358
Energy: 1.087891256490618
Energy: 1.1021892400845656
Energy: 1.1081777157938866
Energy: 1.0789673804234545
Energy: 1.0838439727781817
Energy: 1.0921863689169953
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Energy: 1.0763731064753888

minimum gb energy = 1.0674579099041246 eV
minimum distance =  2.53236944927808 Angstroms
sigma value = 293


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

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Energy: 1.0936780436190734
Energy: 1.1142599790701953
Energy: 1.0640007946881038
Energy: 1.124154673560934
Energy: 1.1231264033035846
Energy: 1.0626096251935946
Energy: 1.1148866343930706
Energy: 1.0630940687430115
Energy: 1.1247712840191433
Energy: 1.1251827388171147
Energy: 1.0629865127858862
Energy: 1.0763500462970048
Energy: 1.113169530128854
Energy: 1.0644894892120969
Energy: 1.063155840457999
Energy: 1.092158682642372
Energy: 1.1142620901038098
Energy: 1.1351716322708039
Energy: 1.0648534087847945
Energy: 1.0637905665205616
Energy: 1.0643365368866233
Energy: 1.1144833920843986
Energy: 1.0596697531872568
Energy: 1.1329459352419233
Energy: 1.1094390052349734
Energy: 1.0626992397508563
Energy: 1.1159525627686033
Energy: 1.0648627083889328
Energy: 1.1449106826226216
Energy: 1.10921226457474
Energy: 1.062752532414696
Energy: 1.1153515633864146
Energy: 1.0838828034891856
Energy: 1.0630832004271538
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Energy: 1.0925505699851283
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Energy: 1.0652817097776435
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Energy: 1.0643237811404693
Energy: 1.0927307221485156
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Energy: 1.0953254343015624
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Energy: 1.0966151479670825
Energy: 1.1111644784635324
Energy: 1.063429058542976
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Energy: 1.062586446521801
Energy: 1.1116767636546223
Energy: 1.062430184092685
Energy: 1.0663092827789111
Energy: 1.110026642340117
Energy: 1.0624080281478037
Energy: 1.063304330502263
Energy: 1.1111396864368386
Energy: 1.06365020634452
Energy: 1.0922920937605776
Energy: 1.0627158152409881
Energy: 1.0638527000789122
Energy: 1.1105730054938767
Energy: 1.0635118139854056
Energy: 1.0936107188336164
Energy: 1.0625565570919548
Energy: 1.0624253273616082
Energy: 1.0617658077595744
Energy: 1.086045202722491
Energy: 1.1087812091392821
Energy: 1.1350444746963069
Energy: 1.100824848504389
Energy: 1.0628027215564324
Energy: 1.084910065610403
Energy: 1.1096752126226483
Energy: 1.0839573320958782
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Energy: 1.0658763432737948
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Energy: 1.1171846120935245
Energy: 1.0573418813773425
Energy: 1.0625235199246605
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Energy: 1.0633480082948392
Energy: 1.0977929607473773
Energy: 1.0646048957414325
Energy: 1.1141767916626408
Energy: 1.0955003021891114
Energy: 1.1342081146117764
Energy: 1.0966047085691626
Energy: 1.0650871673300883
Energy: 1.0650282655882302
Energy: 1.095501154428167
Energy: 1.0916631055149952
Energy: 1.0840623311266486
Energy: 1.0629848487801816
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Energy: 1.0566142037688862
Energy: 1.0638385999481872
Energy: 1.0656220567148171
Energy: 1.0630725434221964
Energy: 1.0590257061902673
Energy: 1.0584753436401138
Energy: 1.063507516048375
Energy: 1.0644282867578805
Energy: 1.0643865519396227
Energy: 1.0594993717418701
Energy: 1.0585921166429793
Energy: 1.0958064321548324
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Energy: 1.0652944376659788
Energy: 1.0588815199302382
Energy: 1.0583462061834161
Energy: 1.0961890449497744
Energy: 1.0649334092044132
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Energy: 1.0628244235784445
Energy: 1.0660534034312028
Energy: 1.0920327170191422
Energy: 1.10996151524215
Energy: 1.0656270914174464
Energy: 1.0622136657536225
Energy: 1.110846196794597
Energy: 1.0915982658970866
Energy: 1.0616845378680968
Energy: 1.1126970894846988
Energy: 1.0630491117776886
Energy: 1.110644397663721
Energy: 1.0913253958901428
Energy: 1.0610670181753812
Energy: 1.1123545444480853
Energy: 1.0629515694602147
Energy: 1.0627491900424413
Energy: 1.0626224415360055
Energy: 1.090731257447093
Energy: 1.0917646867964035
Energy: 1.1093235158407162
Energy: 1.0954393492154986
Energy: 1.0620806235784206
Energy: 1.1320355416953543
Energy: 1.0914723960034733
Energy: 1.0625363203190936
Energy: 1.1398740396811793
Energy: 1.062875962450911
Energy: 1.063575211295709
Energy: 1.0988492953909792
Energy: 1.061338443865442
Energy: 1.109718575830051
Energy: 1.06274480155431
Energy: 1.0640182875123105
Energy: 1.098661314003405
Energy: 1.0618260742185626
Energy: 1.0629721232898157
Energy: 1.0936526380845641
Energy: 1.0637393497458187
Energy: 1.064565972592166
Energy: 1.062469713265166
Energy: 1.063264801666675
Energy: 1.092276793084769
Energy: 1.0642275142458584
Energy: 1.065385559418246
Energy: 1.0627194915480977
Energy: 1.0838335782407862
Energy: 1.1092283020935303
Energy: 1.0855048125001294
Energy: 1.0623166571111167
Energy: 1.0636724117332128
Energy: 1.0838727306027713
Energy: 1.1092390556417495
Energy: 1.0903232160575544
Energy: 1.061719130622389
Energy: 1.0609306777280336
Energy: 1.063065445244348
Energy: 1.1189404651390684
Energy: 1.0645171520586882
Energy: 1.1110552532699263
Energy: 1.1145541907675307
Energy: 1.0574508527053397
Energy: 1.1171876294284926
Energy: 1.0643153723879069
Energy: 1.1021160007979207
Energy: 1.114213367331283
Energy: 1.064253745237697
Energy: 1.1098126092410356
Energy: 1.1434832392789462
Energy: 1.0625038850830832
Energy: 1.1147548528278866
Energy: 1.063377467027478
Energy: 1.1343791724401828
Energy: 1.123956341293893
Energy: 1.0629427848966047
Energy: 1.1149130373092684
Energy: 1.0594905398912153
Energy: 1.0843034983529904
Energy: 1.0626624755992315
Energy: 1.0941451104258737
Energy: 1.124378540545501
Energy: 1.05874142552876
Energy: 1.0848682590557275
Energy: 1.0629656677901307
Energy: 1.0943695674387373
Energy: 1.1529481666238168

minimum gb energy = 1.0566142037688862 eV
minimum distance =  2.55016934860363 Angstroms
sigma value = 293


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

Energy: 1.0700224108237417
Energy: 1.066325332991527
Energy: 1.1279199237934443
Energy: 1.067040975804148
Energy: 1.054315399621319
Energy: 1.069591938536128
Energy: 1.0657063911253428
Energy: 1.1284635438613977
Energy: 1.065663840896715
Energy: 1.0547138912214802
Energy: 1.1319058454407644
Energy: 1.0645755501161318
Energy: 1.063832312355534
Energy: 1.0643663867770867
Energy: 1.0639404793196132
Energy: 1.1335093630954016
Energy: 1.0651081846504944
Energy: 1.05604474208395
Energy: 1.0650950576041467
Energy: 1.063537439443216
Energy: 1.0660419525368945
Energy: 1.0655281988564296
Energy: 1.0678923166237828
Energy: 1.0669996554657815
Energy: 1.1337595593587921
Energy: 1.0649901816689797
Energy: 1.0648692648247535
Energy: 1.0657677233514475
Energy: 1.0663032606975225
Energy: 1.1323305510676915
Energy: 1.129354110565569
Energy: 1.0554733545944521
Energy: 1.0556890797945797
Energy: 1.0642321714412148
Energy: 1.1318561361560122
Energy: 1.1286194862427126
Energy: 1.0559369502945404
Energy: 1.054923005121664
Energy: 1.0649847401875725
Energy: 1.0602878271272669
Energy: 1.0653123117428627
Energy: 1.055649492102086
Energy: 1.0563990206544225
Energy: 1.0664957590985618
Energy: 1.0652362228975367
Energy: 1.0646736686399867
Energy: 1.0557341172845134
Energy: 1.0559734429290581
Energy: 1.0651926649275132
Energy: 1.0645394902720324
Energy: 1.0649864676047573
Energy: 1.128792731427228
Energy: 1.0648534836951147
Energy: 1.0663086396806605
Energy: 1.054941975151413
Energy: 1.0656713348321358
Energy: 1.1279779794285552
Energy: 1.0657603911000233
Energy: 1.0683741256508157
Energy: 1.0545338161791915
Energy: 1.128339243622679
Energy: 1.0594965566201298
Energy: 1.0641307250703258
Energy: 1.0645323208290147
Energy: 1.0652790780885528
Energy: 1.1286090798381312
Energy: 1.058660091930595
Energy: 1.0638064468956032
Energy: 1.0642312734108008
Energy: 1.064764357795364
Energy: 1.0648705006169734
Energy: 1.1347471662612816
Energy: 1.0665636803178096
Energy: 1.056766214393247
Energy: 1.0549889537147588
Energy: 1.0654873087104724
Energy: 1.1373141170081955
Energy: 1.0676853292004411
Energy: 1.0699054816725444
Energy: 1.054904939392491
Energy: 1.0644552567072796
Energy: 1.0557806103796366
Energy: 1.0638922737224552
Energy: 1.0566248945223098
Energy: 1.1325181341888864
Energy: 1.0639336820446696
Energy: 1.0640373050805068
Energy: 1.0636130135263646
Energy: 1.058106420877963
Energy: 1.131612173641634
Energy: 1.068486575325042
Energy: 1.0680043187091985
Energy: 1.1378165246712661
Energy: 1.1284328096082106
Energy: 1.067256810750164
Energy: 1.0689499625777579
Energy: 1.06868730934966
Energy: 1.139862808185693
Energy: 1.1303575348769193
Energy: 1.0659360701800455
Energy: 1.0554463795572544
Energy: 1.0640819632405256
Energy: 1.0693314829805494
Energy: 1.1289599956487204
Energy: 1.132660318203788
Energy: 1.0582444502600064
Energy: 1.0640811931695737
Energy: 1.0584828303182294
Energy: 1.1286079726088964
Energy: 1.1338424954957533
Energy: 1.0701773434632815
Energy: 1.0664800794681262
Energy: 1.0685784673307714
Energy: 1.0671900323389247
Energy: 1.0543451888912727
Energy: 1.0701985266490148
Energy: 1.065734596646025
Energy: 1.0674113452966483
Energy: 1.0660130157633783
Energy: 1.0546467226466834
Energy: 1.1318474057059205
Energy: 1.0645516772866637
Energy: 1.0638198743401066
Energy: 1.0643057276803352
Energy: 1.0635566719942464
Energy: 1.1332736758586395
Energy: 1.065027474887903
Energy: 1.0561587116879794
Energy: 1.0648462310035618
Energy: 1.0637418585813478
Energy: 1.0663821786727914
Energy: 1.0658047515002613
Energy: 1.068458732545147
Energy: 1.067088395215888
Energy: 1.1342062930475478
Energy: 1.0652882035505833
Energy: 1.0650433387110338
Energy: 1.06594921355673
Energy: 1.1287616976796835
Energy: 1.1324103170379685
Energy: 1.1296886718762833
Energy: 1.0555030350069405
Energy: 1.0559330915936334
Energy: 1.0640697079299042
Energy: 1.13173795197334
Energy: 1.128973318159374
Energy: 1.0558432235310307
Energy: 1.0550995018980094
Energy: 1.0648367783270158
Energy: 1.1331927423957886
Energy: 1.065567463447834
Energy: 1.0558458908066477
Energy: 1.0567208747981094
Energy: 1.0665859591333464
Energy: 1.0654527824602085
Energy: 1.064772045923807
Energy: 1.0557232406807233
Energy: 1.0560089840421916
Energy: 1.0652670310358763
Energy: 1.0645706178370877
Energy: 1.0648739383959847
Energy: 1.1289217328912609
Energy: 1.0648668541761888
Energy: 1.065928790259907
Energy: 1.055239179628188
Energy: 1.0655104108544315
Energy: 1.1281364483907643
Energy: 1.0655622276909853
Energy: 1.0678774252389758
Energy: 1.0546619875424161
Energy: 1.1285763135611044
Energy: 1.0596896788390364
Energy: 1.0642523446528092
Energy: 1.06454926165281
Energy: 1.0659203092856446
Energy: 1.1286158361642813
Energy: 1.0588052378472745
Energy: 1.0638343339910277
Energy: 1.0643066200117905
Energy: 1.0651318488042498
Energy: 1.0647673256170798
Energy: 1.1345377257244293
Energy: 1.0664287926212945
Energy: 1.0566763852717462
Energy: 1.0552454423510298
Energy: 1.0649495833690923
Energy: 1.1371707880703683
Energy: 1.06703297698501
Energy: 1.0696625871239864
Energy: 1.0552616212077246
Energy: 1.0646882510484927
Energy: 1.0555910316147727
Energy: 1.064011013992749
Energy: 1.0564468700225182
Energy: 1.132318023404322
Energy: 1.0640276032706428
Energy: 1.0639508554115367
Energy: 1.0636670985715333
Energy: 1.0578736424117645
Energy: 1.0648096984668494
Energy: 1.0678938354027163
Energy: 1.0672303400944927
Energy: 1.1369157022083658
Energy: 1.1285069924629347
Energy: 1.0667380180018136
Energy: 1.0689142583544233
Energy: 1.0686781913196797
Energy: 1.145405346150467
Energy: 1.0650240293702893
Energy: 1.066149781194375
Energy: 1.0554203955574357
Energy: 1.0641781945659345
Energy: 1.0698130914970376
Energy: 1.1293011124086734
Energy: 1.132163697384139
Energy: 1.0583996838968346
Energy: 1.064021096786706
Energy: 1.0583987827350874
Energy: 1.1286435876684993
Energy: 1.1332208328714288

minimum gb energy = 1.054315399621319 eV
minimum distance =  2.55635870163647 Angstroms
sigma value = 15


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

Energy: 1.0417290370102
Energy: 1.0220452231612491
Energy: 1.080424381698641
Energy: 1.1207132420913002
Energy: 1.0800030513847596
Energy: 1.0286676485442572
Energy: 1.0449490042765357
Energy: 1.132077023905099
Energy: 1.1333682997525967
Energy: 1.0239667900852405
Energy: 1.0277094805594706
Energy: 1.105625247036563
Energy: 1.0454980153811797
Energy: 1.0691805167186132
Energy: 1.07435411013315
Energy: 1.0224439701581327
Energy: 1.105078549887242
Energy: 1.0467632254352184
Energy: 1.0946891268486143
Energy: 1.097789733935466
Energy: 1.1264054368085128
Energy: 1.0638684364644624
Energy: 1.0259866920908212
Energy: 1.0939348694042714
Energy: 1.0770965601664828
Energy: 1.122198388996467
Energy: 1.0583923538589748
Energy: 1.0259289237217117
Energy: 1.0689654201178995
Energy: 1.0295318447712734
Energy: 1.0299121597544934
Energy: 1.029802138461723
Energy: 1.1025973968746687
Energy: 1.1220120488648406
Energy: 1.0235276070293637
Energy: 1.022309931877447
Energy: 1.030175163762846
Energy: 1.0920517123003797
Energy: 1.1272775201685294
Energy: 1.0835512214849052
Energy: 1.0633479297417838
Energy: 1.100323256708425
Energy: 1.0284442246703074
Energy: 1.0269781269423053
Energy: 1.121399404452247
Energy: 1.0493860619839905
Energy: 1.100955397981824
Energy: 1.0564250027376263
Energy: 1.0262209937325457
Energy: 1.1215988494231124
Energy: 1.017225536274972
Energy: 1.027475661061201
Energy: 1.0276557643151765
Energy: 1.168679773067919
Energy: 1.0184921211221194
Energy: 1.0278861532490209
Energy: 1.026578435454502
Energy: 1.0280067280237184
Energy: 1.1650102353792129
Energy: 1.019347027222887
Energy: 1.0256616362740882
Energy: 1.0278180727815933
Energy: 1.0270839683617385
Energy: 1.0445277359372456
Energy: 1.1372463554566568
Energy: 1.025143100124969
Energy: 1.02766677655524
Energy: 1.027926454343997
Energy: 1.0452199308582235
Energy: 1.1525506301864048
Energy: 1.0734287326587437
Energy: 1.0284287041279498
Energy: 1.032501013492622
Energy: 1.0291893224291238
Energy: 1.1070621310076831
Energy: 1.0242356334830254
Energy: 1.028217553122066
Energy: 1.0557879327232471
Energy: 1.0296126476330343
Energy: 1.0790374983879745
Energy: 1.0305817082585216
Energy: 1.0177197723625453
Energy: 1.0808733424253927
Energy: 1.0294869458233096
Energy: 1.067412012318626
Energy: 1.0373966966245196
Energy: 1.017025203196151
Energy: 1.080975737571431
Energy: 1.0274578976465416
Energy: 1.0662106230076982
Energy: 1.0920853664757793
Energy: 1.0970720111725396
Energy: 1.0173220426517986
Energy: 1.0177449905429086
Energy: 1.0156851591420337
Energy: 1.1197330585818641
Energy: 1.085491621752616
Energy: 1.028864551109294
Energy: 1.0180763200018885
Energy: 1.015889367741879
Energy: 1.102680910734374
Energy: 1.073813210285287
Energy: 1.0188886593720674
Energy: 1.0174820781988798
Energy: 1.019137595812001
Energy: 1.0887563281802322
Energy: 1.0348062873440804
Energy: 1.0362530169325095
Energy: 1.0177258022030118
Energy: 1.0351599613615121
Energy: 1.0152657306856754
Energy: 1.0928931013650058
Energy: 1.1135431153520803
Energy: 1.0176472591109045
Energy: 1.098861713407857
Energy: 1.036247121202036
Energy: 1.096442301700556
Energy: 1.0185829300408469
Energy: 1.0182396095224988
Energy: 1.1201296710233615
Energy: 1.1301642269927326
Energy: 1.045874395408063
Energy: 1.028768414250232
Energy: 1.1058163071624838
Energy: 1.034205550439185
Energy: 1.1315579293459093
Energy: 1.0505008965028872
Energy: 1.0292466444020154
Energy: 1.1052556318459066
Energy: 1.0959508449934237
Energy: 1.027646948870584
Energy: 1.0758122521106732
Energy: 1.1348454542927953
Energy: 1.0819493741640787
Energy: 1.0252173546109205
Energy: 1.0271711354832291
Energy: 1.0549898428242896
Energy: 1.1337388296134947
Energy: 1.0806690135522037
Energy: 1.0439279304851308
Energy: 1.0452829546431213
Energy: 1.0185733063658553
Energy: 1.0173981849064486
Energy: 1.1421321901227326
Energy: 1.0260409375222093
Energy: 1.0468851348473658
Energy: 1.0187272052165124
Energy: 1.0166868144856296
Energy: 1.0546487515713097
Energy: 1.025411660056134
Energy: 1.1773478971579765
Energy: 1.141842234658651
Energy: 1.0180288202152796
Energy: 1.0193783423152405
Energy: 1.0368649586984944
Energy: 1.173593474673882
Energy: 1.133085404490126
Energy: 1.0182065554658364
Energy: 1.0195195770527001
Energy: 1.0291435260939026
Energy: 1.0141575902116304
Energy: 1.0501962008424797
Energy: 1.0362579298764352
Energy: 1.159963310908825
Energy: 1.0282088451164222
Energy: 1.0138544472798905
Energy: 1.0509203011644104
Energy: 1.0674213076332206
Energy: 1.1618432591791166
Energy: 1.029344860271692
Energy: 1.149467276657079
Energy: 1.1645330690145632
Energy: 1.0197190141404757
Energy: 1.0568779508996684
Energy: 1.0268212811433508
Energy: 1.181943438985222
Energy: 1.1607569220830123
Energy: 1.019475873725686
Energy: 1.0521097019603647
Energy: 1.0272230477024944
Energy: 1.0300612675004712
Energy: 1.0356821420613045
Energy: 1.042316356420919
Energy: 1.0288689556555308
Energy: 1.0266368010234896
Energy: 1.0297160935933882
Energy: 1.0531765198813103
Energy: 1.0274620017108476
Energy: 1.0314105223019407
Energy: 1.0268328153666968
Energy: 1.012897158567025
Energy: 1.0302241633236349
Energy: 1.1148742012582482
Energy: 1.028206996202036
Energy: 1.027287044567263
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Energy: 1.0913496365735096
Energy: 1.0487941214762015
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Energy: 1.0922756580285122
Energy: 1.0295843937802485
Energy: 1.0352787780079988
Energy: 1.0740697452448758
Energy: 1.0850595499478868
Energy: 1.0142217411024619
Energy: 1.0153626714498043
Energy: 1.0803377410132298
Energy: 1.0189578151708467
Energy: 1.0833366756787541
Energy: 1.0151808610534976
Energy: 1.014066549072027
Energy: 1.1125625706385227
Energy: 1.017648796997733
Energy: 1.082875228805965
Energy: 1.038057372743245
Energy: 1.0160421856999786
Energy: 1.041646404189792
Energy: 1.0295080391252915
Energy: 1.0238249299515165
Energy: 1.0386153935127667
Energy: 1.016620817835979
Energy: 1.0599331737600872
Energy: 1.064067085978119
Energy: 1.024609175815096
Energy: 1.01281053394168
Energy: 1.0463437217693166
Energy: 1.0346519756374022
Energy: 1.0792656669525402
Energy: 1.0939144952146966
Energy: 1.0122254656439562
Energy: 1.0458874624026893
Energy: 1.0350545828036715
Energy: 1.065884246668614
Energy: 1.1065816960160322
Energy: 1.0688083875792256
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Energy: 1.056650557794938
Energy: 1.0146440049900787
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Energy: 1.106749096175638
Energy: 1.0564053458632665
Energy: 1.026032417737917
Energy: 1.0611392045034775
Energy: 1.0281147981527716
Energy: 1.0277397419098102
Energy: 1.028690955825563
Energy: 1.1071281266905861
Energy: 1.073457524909818
Energy: 1.0278942615573698
Energy: 1.0279037786341483
Energy: 1.0275675978126635
Energy: 1.1217038313383731
Energy: 1.0126039471042931
Energy: 1.0568893874862126
Energy: 1.0273139308457042
Energy: 1.0687908933846875
Energy: 1.0860990403501616
Energy: 1.012792695593384
Energy: 1.056967074743176
Energy: 1.0409293067966743
Energy: 1.0725170264428994
Energy: 1.083803734988569
Energy: 1.0134523915629141
Energy: 1.1526595774775026
Energy: 1.1981322660442553
Energy: 1.1341615865222194
Energy: 1.0155407476911968
Energy: 1.013369427571585
Energy: 1.1470078267301904
Energy: 1.1636595631690319
Energy: 1.1340616969727362
Energy: 1.0334486605834288
Energy: 1.0522449478103162
Energy: 1.1000075641807805
Energy: 1.0282398457181736
Energy: 1.0281403933132427
Energy: 1.1466475847406175
Energy: 1.038026476594415
Energy: 1.0998871348391746
Energy: 1.027575486131139
Energy: 1.02772063661802
Energy: 1.1488122534725091
Energy: 1.029311208669988
Energy: 1.028532228215344
Energy: 1.0295981221685546
Energy: 1.167344236488769
Energy: 1.0424802711892005
Energy: 1.018858778500931
Energy: 1.0282870040326917
Energy: 1.0293645457613372
Energy: 1.1662801428733063
Energy: 1.0189185487130985
Energy: 1.0273120316863753
Energy: 1.0284548975999173
Energy: 1.0282052897619272
Energy: 1.045664750915866
Energy: 1.201618972664025
Energy: 1.0275645431065887
Energy: 1.0314491647243422
Energy: 1.0286734348430793
Energy: 1.0483246607302288
Energy: 1.1586048364553474
Energy: 1.0266975575386446
Energy: 1.0296636094686313
Energy: 1.0272716813478326
Energy: 1.0295795138284596
Energy: 1.1176697102076336
Energy: 1.0264983368497185
Energy: 1.029811829463985
Energy: 1.0276154711762093
Energy: 1.0297955016331253
Energy: 1.1214074182076523
Energy: 1.0826142056770633
Energy: 1.0912534535914866
Energy: 1.1215889733917215
Energy: 1.060470167832576
Energy: 1.0608410716078251
Energy: 1.0746528785883285
Energy: 1.0933529528666759
Energy: 1.1228424570040636
Energy: 1.0269651520579632
Energy: 1.060457097439954
Energy: 1.1023123383674263
Energy: 1.0185402846242004
Energy: 1.0176392604407054
Energy: 1.0352611516323924
Energy: 1.0156244067288522
Energy: 1.0815415224298586
Energy: 1.0185277521633538
Energy: 1.017877527252192
Energy: 1.0347665884628858
Energy: 1.0630284461042576
Energy: 1.112641759025892
Energy: 1.068086941867129
Energy: 1.0448580758702006
Energy: 1.042629303465953
Energy: 1.017458124114951
Energy: 1.126756705966395
Energy: 1.066718528053593
Energy: 1.0445995872593157
Energy: 1.0183037058296158
Energy: 1.017253364455321
Energy: 1.0150221114356766
Energy: 1.0937175491607822
Energy: 1.039993042812082
Energy: 1.0326127592208183
Energy: 1.0256869224257972
Energy: 1.0373653862487315
Energy: 1.0938172094410605
Energy: 1.0182773689768292
Energy: 1.032516553223158
Energy: 1.043963247697939
Energy: 1.1145410627733525
Energy: 1.0484398502539878
Energy: 1.034248354344286
Energy: 1.079006786392576
Energy: 1.0648653245430435
Energy: 1.1329227971990945
Energy: 1.0485848992288125
Energy: 1.034739047160228
Energy: 1.0756018035755321
Energy: 1.0670311923624105
Energy: 1.0270620190013444
Energy: 1.0750579709714454
Energy: 1.1293556894396104
Energy: 1.0588075423640322
Energy: 1.0255562247724517
Energy: 1.0267744775709575
Energy: 1.0827056801742305
Energy: 1.0467095654498744
Energy: 1.073502536229935
Energy: 1.0259988853580848
Energy: 1.0304403911941569
Energy: 1.0185871317169217
Energy: 1.017708991187062
Energy: 1.1197362460355618
Energy: 1.0263139070650937
Energy: 1.0467105100363552
Energy: 1.0193636405875626
Energy: 1.0170392909981063
Energy: 1.0335366045962302
Energy: 1.025646839066251
Energy: 1.1989103257715155
Energy: 1.133688818507062
Energy: 1.0188379400618461
Energy: 1.1496809160944936
Energy: 1.0288979536167744
Energy: 1.0439857107291826
Energy: 1.1140615212417007
Energy: 1.0367117082733
Energy: 1.1490316730014671
Energy: 1.0152998171800918
Energy: 1.014083335915378
Energy: 1.1398698909437495
Energy: 1.147002051594281
Energy: 1.0542178326088358
Energy: 1.0503107294223641
Energy: 1.0141057023182487
Energy: 1.1294187293972975
Energy: 1.1793617327931138
Energy: 1.0527660059056452
Energy: 1.0299466317810033
Energy: 1.1213934802064076
Energy: 1.1399286353395284
Energy: 1.1417989774559738
Energy: 1.021166840205934
Energy: 1.0254686452257054
Energy: 1.1390486967104725
Energy: 1.1405869080178601
Energy: 1.1406256920138995
Energy: 1.0160773061597606
Energy: 1.0259362577233726
Energy: 1.0285042274631035
Energy: 1.049168788203389
Energy: 1.0538695457028284
Energy: 1.0271994113854188
Energy: 1.0270188683655812
Energy: 1.0276448691034736
Energy: 1.0384024125800786
Energy: 1.025857544142522
Energy: 1.0281437893246232
Energy: 1.0265939866721974
Energy: 1.0703745173097994
Energy: 1.027761591586487
Energy: 1.0909220566475315
Energy: 1.0266365950498244
Energy: 1.0261620974388332
Energy: 1.0738968556541681
Energy: 1.0607220753749715
Energy: 1.0726643323568144
Energy: 1.0278322914622708
Energy: 1.025502329441086
Energy: 1.1124293800107377
Energy: 1.0298208756301441
Energy: 1.0286970141652922
Energy: 1.0978960258737342
Energy: 1.0841447581355645
Energy: 1.0899215350711302
Energy: 1.0295206690797654
Energy: 1.0272946124792628
Energy: 1.0934204539099672
Energy: 1.1020678710688137
Energy: 1.0278991537951008
Energy: 1.0287871939317625
Energy: 1.0913577398147418
Energy: 1.0374347695328723
Energy: 1.0306218028789325
Energy: 1.0232028989463338
Energy: 1.0226872095609554
Energy: 1.0936111547312088
Energy: 1.018189914962089
Energy: 1.030374708566869
Energy: 1.0271602373430415
Energy: 1.0305914861145553
Energy: 1.0279272853876211
Energy: 1.0271537118765939
Energy: 1.0233271346978805
Energy: 1.02046270505001
Energy: 1.0228270672088484
Energy: 1.0692462587736762
Energy: 1.0277758792568374
Energy: 1.03024671002012
Energy: 1.0277806828904015
Energy: 1.0232702940606717
Energy: 1.0164256674585794
Energy: 1.155812370609944
Energy: 1.0808437112367681
Energy: 1.0212229078660433
Energy: 1.0812084801143893
Energy: 1.0365047033946029
Energy: 1.1309572003137813
Energy: 1.0811923139626636
Energy: 1.072720196800781
Energy: 1.0840443832575772
Energy: 1.0526478324775985
Energy: 1.0494276956193143
Energy: 1.0222698870690037
Energy: 1.0943938448538495
Energy: 1.0902502744846059
Energy: 1.0438360300939238
Energy: 1.0650277453700807
Energy: 1.0188981592804918

minimum gb energy = 1.0122254656439562 eV
minimum distance =  2.50892224245751 Angstroms
sigma value = 437


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

Energy: 0.9649237130053807
Energy: 0.9215812644053565
Energy: 0.9622909759094624
Energy: 1.1141287339367199
Energy: 0.9099440200067164
Energy: 1.015615832034755
Energy: 0.9103433800280372
Energy: 1.057566080956728
Energy: 1.0239575898540465
Energy: 1.0832336163039331
Energy: 0.9249270040942524
Energy: 1.1186480760560638
Energy: 0.9245631210911164
Energy: 1.0989283301533663
Energy: 0.9132031205916605
Energy: 0.908137415320915
Energy: 1.118271086208628
Energy: 0.9232634533116435
Energy: 1.1190593152105284
Energy: 0.9123442034237209
Energy: 1.0313312855109857
Energy: 0.9269389270142836
Energy: 0.9320624302426515
Energy: 0.9454977182866635
Energy: 0.9119178467822713
Energy: 1.0157474259567643
Energy: 1.0276122916304005
Energy: 0.9676405437335658
Energy: 0.9619070889607175
Energy: 0.9257700561402233
Energy: 0.9616620418280297
Energy: 0.9375834080403033
Energy: 1.0541130657776712
Energy: 0.9224989351786347
Energy: 0.9112346180832132
Energy: 1.0026822754369438
Energy: 0.946737626987962
Energy: 1.0538820363186
Energy: 1.0323812152762286
Energy: 0.978433212351419
Energy: 1.005484954421526
Energy: 0.9740205495789469
Energy: 0.9739000456506924
Energy: 0.9415569594172996
Energy: 0.9625811651336678
Energy: 1.0042345856882908
Energy: 0.9738111100192215
Energy: 0.9173784418459916
Energy: 0.9610675200046602
Energy: 0.9113984929215674
Energy: 0.907215342814994
Energy: 0.9262471500655673
Energy: 0.9300458447374236
Energy: 0.9257939662970777
Energy: 1.0145674116881758
Energy: 0.9773679116558829
Energy: 0.968925567799804
Energy: 0.9686928874275775
Energy: 0.9222626143133106
Energy: 0.9634280961599814
Energy: 0.926061350459687
Energy: 0.924627689751506
Energy: 0.9853774086734516
Energy: 0.9261422472764003
Energy: 0.9640724648317023
Energy: 0.9085240484116592
Energy: 0.9087534302695566
Energy: 0.9091447925735195
Energy: 0.9372689088507782
Energy: 0.9791393314002298
Energy: 1.0384135593427093
Energy: 0.9247366799807843
Energy: 0.9259440646787503
Energy: 1.003641501457539
Energy: 0.9652229556844644
Energy: 1.0407080769561186
Energy: 0.9092912529847121
Energy: 0.938689201102654
Energy: 0.9624152786604094
Energy: 0.9797455719434889
Energy: 0.9764149109582889
Energy: 1.0551011579154512
Energy: 0.9635359228661332
Energy: 0.9096584020182225
Energy: 1.0138713687697638
Energy: 0.9774323436294237
Energy: 1.056214381429542
Energy: 0.9782773430096761
Energy: 1.0495045557092872
Energy: 0.9280742063765346
Energy: 1.0875387364299722
Energy: 1.0170598295252395
Energy: 0.9282251202294646
Energy: 1.0226963019808
Energy: 1.0741125454989564
Energy: 0.9194407418889271
Energy: 1.0167034527250118
Energy: 0.9269022437077682
Energy: 1.0211610529695794
Energy: 0.9897944348878853
Energy: 0.9246156439909634
Energy: 0.9253158442213661
Energy: 0.9906356353151256
Energy: 1.0139657982267702
Energy: 0.9135701949100843
Energy: 0.908709351299442
Energy: 0.9096423887202624
Energy: 1.053134798977135
Energy: 1.0142219397324561
Energy: 0.9249706162728143
Energy: 0.9249185991687218
Energy: 0.9252217964932447
Energy: 0.9254384127627442
Energy: 1.0831792475404993
Energy: 0.9112074723873693
Energy: 0.9087170410786033
Energy: 0.9097480932041481
Energy: 0.9260272588165648
Energy: 0.938082493157348
Energy: 0.9256787236757267
Energy: 0.9249029845689571
Energy: 0.9129743276468963
Energy: 1.0280965999661063
Energy: 1.0459105004527358
Energy: 1.022079935728161
Energy: 0.9083391635124958
Energy: 0.9130398458480188
Energy: 1.0482533421002194
Energy: 1.0445414423998896
Energy: 1.0350664273769723
Energy: 0.9110057069547277
Energy: 1.0193657818803417
Energy: 1.1604872764069862
Energy: 0.9453351451735202
Energy: 0.9123483497693932
Energy: 1.0843654351594876
Energy: 0.9124562142000082
Energy: 0.937849553031507
Energy: 0.9263027988975161
Energy: 0.9752332688172469

minimum gb energy = 0.907215342814994 eV
minimum distance =  2.50662148185738 Angstroms
sigma value = 33