Model name: model_name=Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
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=4.025435209274292
cohesive_energy=3.381271244149137
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=[1.212363854594532e-19, 1.71623558857446e-19, 2.2832298775807197e-19, 2.8457220502454396e-19, 3.3121957772345398e-19, 3.67943068351368e-19, 3.9972384406339203e-19, 4.29934486674096e-19, 4.58621459305866e-19, 4.73007403302552e-19, 4.838044716390779e-19, 4.93234883306802e-19, 5.01638299752132e-19, 5.09250240940266e-19, 5.160755134011059e-19, 5.2204522353939e-19, 5.27096886466392e-19, 5.31244921771818e-19, 5.34580653523806e-19, 5.37208223203566e-19, 5.392093418194319e-19, 5.40608042020914e-19, 5.414299586341559e-19, 5.416975221320339e-19, 5.41396312924842e-19, 5.4040456558839595e-19, 5.385684711658319e-19, 5.35706983697508e-19, 5.31523700506134e-19, 5.25768682036806e-19, 5.18169558261744e-19, 5.08401087324246e-19, 4.96086757715322e-19, 4.8079718609706e-19, 4.619507823513179e-19, 4.4065465053219e-19, 4.15385120660742e-19, 3.8225050569298794e-19, 3.3822108961403397e-19, 2.7910718052597e-19, 1.9870194614867997e-19, 8.7624642290094e-20, -6.93391605839154e-20, -3.03590041670124e-19, -6.83203364623548e-19, -1.3455015285266638e-18, -2.5180769285924397e-18, -4.1103200674616396e-18, -4.6136118135000595e-18, -5.259769649992259e-18, -6.099230097376559e-18, -7.28064310375548e-18, -9.304977259048139e-18, -1.3271934561299458e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011898082592460103
Energy: 0.07128385366525289
Energy: 0.07111742988347045
Energy: 0.07122027910951825
Energy: 0.012664813581206483
Energy: 0.012825297311050622
Energy: 0.07087027713870471
Energy: 0.07088102890465552
Energy: 0.07115721933821888
Energy: 0.012568643487204203
Energy: 0.0709237152880456
Energy: 0.07069309300540602
Energy: 0.07141030598591915
Energy: 0.07104290296737448
Energy: 0.07143525437183526
Energy: 0.07107284346793102
Energy: 0.07074550460964081
Energy: 0.0713280816543389
Energy: 0.3795766741760821
Energy: 0.07157602959998578
Energy: 0.07059944523519224
Energy: 0.01256059787384992
Energy: 0.01219497901027289
Energy: 0.07088699311340571
Energy: 0.07121572849204481
Energy: 0.07151032430409492
Energy: 0.012430255016417105
Energy: 0.012210998377116977
Energy: 0.07077577153771569
Energy: 0.07073685359612637
Energy: 0.07046769640374509
Energy: 0.012632474780272898
Energy: 0.012362117190913926
Energy: 0.07054752268784054
Energy: 0.07093532863221327
Energy: 0.07101457511901652
Energy: 0.01259914583087022
Energy: 0.0122903426738926
Energy: 0.07031769547906634
Energy: 0.07071484251242786
Energy: 0.0704824653482425
Energy: 0.07122265094470323
Energy: 0.07070274314685221
Energy: 0.012324968757102676
Energy: 0.012528553527093447
Energy: 0.0706799079139676
Energy: 0.07136071965319919
Energy: 0.07063349597468936
Energy: 0.012398642368280291
Energy: 0.07061968983959321
Energy: 0.07067562004537731
Energy: 0.38205450353860404
Energy: 0.07101641345698625
Energy: 0.012314764604204824
Energy: 0.012750567304554742
Energy: 0.07052815020483828
Energy: 0.38078714218194604
Energy: 0.07131894767934628
Energy: 0.012489204704909381
Energy: 0.012963337256492789
Energy: 0.013020919447523786
Energy: 0.07082440427237895
Energy: 0.07063729906519002
Energy: 0.07187457741809475
Energy: 0.07095707037985496
Energy: 0.013017440777989251
Energy: 0.07088752383966923
Energy: 0.0705955000761674
Energy: 0.07140244000526944
Energy: 0.07078529862635848

minimum gb energy = 0.011898082592460103 eV
minimum distance =  2.81295676606803 Angstroms
sigma value = 3


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

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Energy: 0.5939898037215172
Energy: 0.5754694902012497
Energy: 0.5677808738863129
Energy: 0.6253354292091403
Energy: 0.6445450984598744
Energy: 0.578241629435858
Energy: 0.5733326569305955
Energy: 0.5701338677236222
Energy: 0.528795561673837
Energy: 0.5341585495567955
Energy: 0.6613162932070624
Energy: 0.5785960913155576
Energy: 0.5048702473556483
Energy: 0.4963634561117744
Energy: 0.4987287546542255
Energy: 0.5949825503466282
Energy: 0.5746476746559321
Energy: 0.5010628097455929
Energy: 0.5662255479506619
Energy: 0.5388090366557551
Energy: 0.6363189538773519
Energy: 0.5069779783795438
Energy: 0.514815294335099
Energy: 0.5548620285965441
Energy: 0.4942778372876498
Energy: 0.6281707677039413
Energy: 0.5043375523292374
Energy: 0.5327969651066904
Energy: 0.5575643952346803
Energy: 0.5549059896034663
Energy: 0.5736008917094512
Energy: 0.6450567705872684
Energy: 0.49435792611746077
Energy: 0.5632079099521503
Energy: 0.4942281428806958
Energy: 0.5902048003986976
Energy: 0.6451391796668989
Energy: 0.5089791556825652
Energy: 0.5577369011237766
Energy: 0.6568938893202038
Energy: 0.5897567775210275
Energy: 0.6042018383155623
Energy: 0.6650618446910327
Energy: 0.5042659359519274
Energy: 0.6258696242709707
Energy: 0.5895503361532912
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Energy: 0.5035741766919163
Energy: 0.6202599171740755
Energy: 0.6502537793295762
Energy: 0.6168104470133753
Energy: 0.5055623263215542
Energy: 0.6249269959149821
Energy: 0.6037334924493531
Energy: 0.6207216336451324
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Energy: 0.5907859151072182
Energy: 0.615301280900945
Energy: 0.6734532869194003
Energy: 0.5054047174081491
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Energy: 0.5952686171218065
Energy: 0.6488188766383672
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Energy: 0.5856287779967093
Energy: 0.5832405670089122
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Energy: 0.5456642494250867
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Energy: 0.48099511105823584
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Energy: 0.5157130743713847
Energy: 0.6057660068494071
Energy: 0.6336803187231483
Energy: 0.6105306359954288
Energy: 0.6090220534171379
Energy: 0.643234835826324
Energy: 0.5986782945410302
Energy: 0.6026336117600583
Energy: 0.6041801890675157
Energy: 0.6464522865570443
Energy: 0.6092750795862071
Energy: 0.603261180076657
Energy: 0.6296036544267021
Energy: 0.6121253318506602
Energy: 0.4467194832881774
Energy: 0.6653811560600519
Energy: 0.6156688265001807
Energy: 0.6072755953012513
Energy: 0.4814161059391924
Energy: 0.47425728293510283
Energy: 0.6350179611748616
Energy: 0.6073239573405215
Energy: 0.5928645343641747
Energy: 0.44789056512155495
Energy: 0.4475904076841737
Energy: 0.6556761059095094
Energy: 0.5059395723203303
Energy: 0.5478485074270912
Energy: 0.5542602658586668
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Energy: 0.6577694703343879
Energy: 0.5070067228767053
Energy: 0.5409418808336596
Energy: 0.4468148876278043
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Energy: 0.6444636180649598
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Energy: 0.6446366156094091
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Energy: 0.4929948440995098
Energy: 0.628110492537069
Energy: 0.6100782777312569
Energy: 0.6138287567861479
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Energy: 0.5119947346531749
Energy: 0.6257068431012484
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Energy: 0.6539348090182721
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Energy: 0.6292129609089474
Energy: 0.6173493952924872
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Energy: 0.6036220494201248
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Energy: 0.5109636822084703
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Energy: 0.645215122032384
Energy: 0.6150877412600019
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Energy: 0.5704118570338443
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Energy: 0.6186584426894886
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Energy: 0.5930035419108952
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Energy: 0.5892235188342129
Energy: 0.6070381587790705
Energy: 0.5466854354947328
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Energy: 0.519897989333368
Energy: 0.47885646916365354
Energy: 0.6726493532128252
Energy: 0.6253102518614033
Energy: 0.5889425251380195
Energy: 0.5208721457941715
Energy: 0.47945300111043393
Energy: 0.6536011134140215
Energy: 0.5930601046151301
Energy: 0.5242050994379274
Energy: 0.559522691263588
Energy: 0.5075179324493467
Energy: 0.5456775775984875
Energy: 0.6450289710006355
Energy: 0.5560179667876878
Energy: 0.5568411228444743
Energy: 0.5059272360161744
Energy: 0.5587559622147807
Energy: 0.6480074649744365
Energy: 0.636384947878601
Energy: 0.5041859377000759
Energy: 0.5573546145506765
Energy: 0.5183179334844542
Energy: 0.5519960594934123
Energy: 0.5637241175961283
Energy: 0.503779985820947
Energy: 0.533696913864999
Energy: 0.5399155987258326
Energy: 0.6466159482995966
Energy: 0.6556682248725353
Energy: 0.5129614625201431
Energy: 0.5101262236064996
Energy: 0.5803524393335872
Energy: 0.5767416894558391
Energy: 0.6371825951678738
Energy: 0.49700443045060405
Energy: 0.543704566167131
Energy: 0.5966534159987016
Energy: 0.5749333124920302
Energy: 0.5372495392863358
Energy: 0.5752623234888157
Energy: 0.6412783455691037
Energy: 0.6294548082879009
Energy: 0.5937934320011814
Energy: 0.496049721887207
Energy: 0.6603280768884515
Energy: 0.5826406966880877
Energy: 0.6827287730704161
Energy: 0.6212150129642374
Energy: 0.5010819897187199
Energy: 0.5649306081896713
Energy: 0.5678059390092736
Energy: 0.5982286362375648
Energy: 0.67285139951273
Energy: 0.4969410662886531
Energy: 0.5094448261982061
Energy: 0.5664559032350451
Energy: 0.6065491541239694
Energy: 0.658378582592297
Energy: 0.6851069370765116
Energy: 0.5245438396495593
Energy: 0.5715743393588802
Energy: 0.5669184520593922
Energy: 0.5949367641558932
Energy: 0.6474915166627115
Energy: 0.5785537004766257
Energy: 0.5701966056337096
Energy: 0.5663656628986352
Energy: 0.6160667417327557

minimum gb energy = 0.4467194832881774 eV
minimum distance =  2.59112493903961 Angstroms
sigma value = 75


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

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Energy: 0.5486921327719945
Energy: 0.5353075833550852
Energy: 0.6070766865461653
Energy: 0.5334589889169098
Energy: 0.6583426035251644
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Energy: 0.5408164096108311
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Energy: 0.5753141459406395
Energy: 0.5436966610175971
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Energy: 0.557156905653549
Energy: 0.5365546343366897
Energy: 0.5980157828088957
Energy: 0.6364810657632815
Energy: 0.6750331509203461
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Energy: 0.6769188640687519
Energy: 0.6739305147083114
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Energy: 0.5562695895266174
Energy: 0.5462963304271528
Energy: 0.5668092375019993
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Energy: 0.5328759977854609
Energy: 0.5554127912723351
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Energy: 0.5448851510359667
Energy: 0.5111144012639767
Energy: 0.5596594675934593
Energy: 0.5557318814171207
Energy: 0.5327180326670048
Energy: 0.5430572031702617
Energy: 0.5512936258533098
Energy: 0.6284890193175529
Energy: 0.5227497073623333
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Energy: 0.5351608580310462
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Energy: 0.5471233363487119
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Energy: 0.5337652022492618
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Energy: 0.6247831631535178
Energy: 0.5359572237121769
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Energy: 0.545701733554489
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minimum gb energy = 0.5111144012639767 eV
minimum distance =  2.55469530051641 Angstroms
sigma value = 105


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

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Energy: 0.5509936274377835
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Energy: 0.5945938124309641
Energy: 0.6622385831325421
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Energy: 0.5460514315569602
Energy: 0.5593414303385097
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Energy: 0.6454567503839116
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Energy: 0.5490286217151633
Energy: 0.5480824991383124
Energy: 0.5863692263920669
Energy: 0.547988006227554
Energy: 0.5885293990542109
Energy: 0.5463622923658059
Energy: 0.548439292439449
Energy: 0.5488856444625139
Energy: 0.5489656275023047
Energy: 0.5562634401944042
Energy: 0.5467180594213584
Energy: 0.5489812538187206
Energy: 0.5564650191886289
Energy: 0.5654362020266622
Energy: 0.5833520245095166
Energy: 0.5509772635672789
Energy: 0.6075138611554353
Energy: 0.5488385282798539
Energy: 0.5667645674852614
Energy: 0.5572298794677982
Energy: 0.5808378632774136
Energy: 0.5613481715408462
Energy: 0.5912584279042714
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Energy: 0.5485112002166758
Energy: 0.5478135034569634
Energy: 0.5446650062650211
Energy: 0.5501618468671066
Energy: 0.5543764130665914
Energy: 0.5487723636504862
Energy: 0.547777286128418
Energy: 0.5656146855126393
Energy: 0.5755370152179298
Energy: 0.54998725557938
Energy: 0.554069625423388
Energy: 0.5654019736898245
Energy: 0.5665426061273531
Energy: 0.5967307646004857
Energy: 0.5309364056952207
Energy: 0.5477755822501978
Energy: 0.548082729485393
Energy: 0.5754761811137381
Energy: 0.5595784740688458
Energy: 0.5729804382515947
Energy: 0.5697523060263624
Energy: 0.631128823275881
Energy: 0.5854762040826801
Energy: 0.5610823037598132
Energy: 0.5709204002519781
Energy: 0.5885735867737115
Energy: 0.6212094965413776
Energy: 0.5840410721624123
Energy: 0.5481054292051811
Energy: 0.5259899742479013
Energy: 0.5293150984361886
Energy: 0.51939584892828
Energy: 0.5486755828406056
Energy: 0.5403990368068806
Energy: 0.587930778920756
Energy: 0.5261638074757645
Energy: 0.5244068426578223
Energy: 0.5473572829743838
Energy: 0.6054416208355367
Energy: 0.5206276724870508
Energy: 0.5340786896467091
Energy: 0.5338526069217823
Energy: 0.5263592917277615
Energy: 0.5246269007409381
Energy: 0.5201123267545461
Energy: 0.5289891522546882
Energy: 0.5446764685829895
Energy: 0.5981804917994537

minimum gb energy = 0.5048130689350436 eV
minimum distance =  2.55896862468611 Angstroms
sigma value = 165


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

Energy: 0.6463681618966071
Energy: 0.5404931484505199
Energy: 0.5082649638898702
Energy: 0.5308781614836133
Energy: 0.5250213510585614
Energy: 0.603813426844572
Energy: 0.5304641408264489
Energy: 0.5283400611315869
Energy: 0.5422674605887555
Energy: 0.5279425269620772
Energy: 0.5559987710125619
Energy: 0.5359235451510146
Energy: 0.5304432884013761
Energy: 0.5284132368397596
Energy: 0.5309866743002647
Energy: 0.5361217688986651
Energy: 0.509077640471904
Energy: 0.5397134742216741
Energy: 0.5483253826752847
Energy: 0.5828463727991665
Energy: 0.5349157149362285
Energy: 0.5621945493996708
Energy: 0.5645965146887532
Energy: 0.5281271965450988
Energy: 0.5674562850667848
Energy: 0.5018281141398927
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Energy: 0.5718316020349863
Energy: 0.5467392630251411
Energy: 0.5651344060652534
Energy: 0.5290983631960119
Energy: 0.5562740688054431
Energy: 0.5499980833806818
Energy: 0.5478838461089449
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Energy: 0.603035847034487
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Energy: 0.5351265283824006
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Energy: 0.5843818858304454
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Energy: 0.5241355992414107
Energy: 0.5048188293964934
Energy: 0.5526423435465087
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Energy: 0.5238340888182589
Energy: 0.5906478204119489
Energy: 0.5061404779832641
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Energy: 0.5573747511226694
Energy: 0.5523838300117316
Energy: 0.5342058775371538
Energy: 0.5066782419090278
Energy: 0.5481615093967919
Energy: 0.5494569388227187
Energy: 0.5655802382066982
Energy: 0.5135503978274726
Energy: 0.5813100657127914
Energy: 0.5387870931833362
Energy: 0.5368795323522776
Energy: 0.6505966186301491
Energy: 0.5640133917889109
Energy: 0.5698747679887162
Energy: 0.5313295564702418
Energy: 0.5673596073914163
Energy: 0.6492076196639851
Energy: 0.5502121095845006
Energy: 0.5633281963548251
Energy: 0.5367572313983147
Energy: 0.5319629362812901
Energy: 0.5475276558976634
Energy: 0.5632114751670342
Energy: 0.5579741162298307
Energy: 0.5406078326336501
Energy: 0.5388081024704334
Energy: 0.5665619934063275
Energy: 0.5388544546500232
Energy: 0.5283856463493932
Energy: 0.5012495143366662
Energy: 0.5314418265346958
Energy: 0.5447937729073196
Energy: 0.5659147576984646
Energy: 0.5286860328192324
Energy: 0.5342771168933252
Energy: 0.5295748638237828
Energy: 0.5079401783577352
Energy: 0.5348937045046201
Energy: 0.5469462953394718
Energy: 0.5626954733464016
Energy: 0.505167079354232
Energy: 0.5004547745588412
Energy: 0.5277257992254518
Energy: 0.5490258429741665
Energy: 0.525880799866192
Energy: 0.5033400983768559
Energy: 0.5222981519473363
Energy: 0.5114371872718562
Energy: 0.5920037481287067
Energy: 0.5575904790151582
Energy: 0.5072957954615517
Energy: 0.5359298498916528
Energy: 0.5348701979936797
Energy: 0.5309999862524563
Energy: 0.5397430399264174
Energy: 0.508155830612529
Energy: 0.5359127734776237

minimum gb energy = 0.48364537618520764 eV
minimum distance =  2.55460728491483 Angstroms
sigma value = 41


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

Energy: 0.8929773301105107
Energy: 0.46544563424726115
Energy: 0.4669201221893841
Energy: 0.44397755410927503
Energy: 0.4337871417086752
Energy: 0.6162217296575101
Energy: 0.4570374898003199
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Energy: 0.46529992057548836
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Energy: 0.4655751658587678
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Energy: 0.4953775795888423
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Energy: 0.4666794564849354
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Energy: 0.46073168866777625
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Energy: 0.45031622085706213
Energy: 0.47153198800687496
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Energy: 0.48019784655536635
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Energy: 0.47541921423482525
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Energy: 0.4676782368701608
Energy: 0.4905182265274533
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Energy: 0.5130058460462988
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Energy: 0.48614183104850517
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Energy: 0.46739697409148434
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Energy: 0.4513142930327908
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Energy: 0.46241125118148674
Energy: 0.44770703493479064
Energy: 0.44967381187344657
Energy: 0.4467066942392735
Energy: 0.461430545559071
Energy: 0.490456711496471
Energy: 0.451162848881475
Energy: 0.45154274758502283
Energy: 0.46833214237357373
Energy: 0.46133298882171697
Energy: 0.4981418104121168
Energy: 0.4511020931895279
Energy: 0.4555960981285251
Energy: 0.4603910510933132
Energy: 0.4484132556933916
Energy: 0.4924382672020122
Energy: 0.46993208682195803
Energy: 0.4566415416045189
Energy: 0.45723342326699623
Energy: 0.4550730704888018
Energy: 0.4836443244041309
Energy: 0.45495557609377923
Energy: 0.46908525841327703
Energy: 0.4473040678531971
Energy: 0.581744749606597
Energy: 0.4542009263890971
Energy: 0.4820864319334737
Energy: 0.47666631714958346
Energy: 0.46230429123974986
Energy: 0.5972352397064956
Energy: 0.44607560870704316
Energy: 0.47278560830153477
Energy: 0.4685683349846686
Energy: 0.4661610282768552

minimum gb energy = 0.4337871417086752 eV
minimum distance =  2.6120580791853 Angstroms
sigma value = 185


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

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Energy: 0.29969038658853003
Energy: 0.38746170107283745
Energy: 0.3493209036074016
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Energy: 0.3466686189079227
Energy: 0.31600974954379957
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Energy: 0.3404621959680488
Energy: 0.37316352648403706
Energy: 0.32633122362630884
Energy: 0.2008737065278474
Energy: 0.2032881657634527
Energy: 0.35581415310975006
Energy: 0.37295550853897286
Energy: 0.36337656580013705
Energy: 0.2607944007787947
Energy: 0.2603300358741983
Energy: 0.2964638552750242
Energy: 0.37273505824337644
Energy: 0.33171758617871655
Energy: 0.2886651875017563
Energy: 0.3100144589301404
Energy: 0.3218048559161513
Energy: 0.34685371240106927
Energy: 0.3480808957664412
Energy: 0.30667702037551875
Energy: 0.30812702200983527
Energy: 0.3356363799773606
Energy: 0.41715551108420074
Energy: 0.3194603899865952
Energy: 0.3238604017024425
Energy: 0.34570746928884805
Energy: 0.37328956522120066
Energy: 0.3194800691874199
Energy: 0.2788853787950878
Energy: 0.20018956949760253
Energy: 0.30744065193976633
Energy: 0.3402763789399588
Energy: 0.34269354428212623
Energy: 0.31959907550846917

minimum gb energy = 0.1600341196122544 eV
minimum distance =  2.65272391572933 Angstroms
sigma value = 33


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

Energy: 0.7817897640463691
Energy: 0.40672993244299727
Energy: 0.40239810489885586
Energy: 0.3997383859833843
Energy: 0.4078992816768514
Energy: 0.40696422170031016
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Energy: 0.4054620531124866
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Energy: 0.4445789939522216
Energy: 0.41152775196462094
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Energy: 0.41744415616544195
Energy: 0.46799045275608797

minimum gb energy = 0.3847244968014006 eV
minimum distance =  2.57207471468658 Angstroms
sigma value = 219


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

Energy: 0.7143666132311678
Energy: 0.528312131804263
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Energy: 0.5333206604051569
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Energy: 0.5289178757204707
Energy: 0.5506648025327862
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Energy: 0.5192213394329299
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Energy: 0.5082412265170986
Energy: 0.5079666438034494
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Energy: 0.519797969245272
Energy: 0.528220932978687
Energy: 0.5079510696841872
Energy: 0.5080994386496757
Energy: 0.5268249994181168

minimum gb energy = 0.4794255168876225 eV
minimum distance =  2.60024936733252 Angstroms
sigma value = 15


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

Energy: 0.8362745905253324
Energy: 0.6043803588565475
Energy: 0.6220260022779188
Energy: 0.5635881566119774
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Energy: 0.6031058276294082
Energy: 0.5944854886005811
Energy: 0.6284528266412166
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minimum gb energy = 0.5593471117456786 eV
minimum distance =  2.56136884664406 Angstroms
sigma value = 293


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

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Energy: 0.5940919501043228
Energy: 0.5642685210245607
Energy: 0.5653224602173739
Energy: 0.5644185918209559
Energy: 0.5822757934373547
Energy: 0.5938134619654225
Energy: 0.5761725513628486
Energy: 0.5851161612353917
Energy: 0.60322866481278
Energy: 0.5758938945949311
Energy: 0.6652012568923897
Energy: 0.5761817727374672
Energy: 0.5937610246341354
Energy: 0.6091271714490173
Energy: 0.5755290926438106
Energy: 0.6651513153088051
Energy: 0.5644635592495723
Energy: 0.5933482725517284
Energy: 0.5652763373651005
Energy: 0.5634396245150433
Energy: 0.5941449760453373
Energy: 0.5675655208188727
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Energy: 0.6437454415181351
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Energy: 0.5943702266955524
Energy: 0.5564404475710708
Energy: 0.6017622121940527
Energy: 0.5622095785785696
Energy: 0.5640774664293591
Energy: 0.5942960317216229
Energy: 0.782504663535849
Energy: 0.5966528908435738
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Energy: 0.5948776836896943
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Energy: 0.5916585997965
Energy: 0.5628425795579547
Energy: 0.5793301860586387
Energy: 0.5775542199743128
Energy: 0.5854040321535665
Energy: 0.5640052065481705
Energy: 0.5626921777038428
Energy: 0.5614963765840407
Energy: 0.5984518280597544
Energy: 0.5837013451444601
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Energy: 0.5614845629007565
Energy: 0.5699777586732325
Energy: 0.5791288826043461
Energy: 0.6446944790346004
Energy: 0.589127200717726
Energy: 0.5628285991139567
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Energy: 0.5782990654125746
Energy: 0.6356444899354743
Energy: 0.5892920772642171
Energy: 0.5608827115464257
Energy: 0.6037551418088211
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Energy: 0.6141090843652095
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Energy: 0.5857716666857644
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Energy: 0.6256355064808826
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Energy: 0.5937411165205947
Energy: 0.6259963049479381
Energy: 0.5917393784830496
Energy: 0.6019566844102666
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Energy: 0.6213079424920428
Energy: 0.5985840558471536
Energy: 0.5768312278022427
Energy: 0.5969970296715638
Energy: 0.6076941848704926
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Energy: 0.5766467231397288
Energy: 0.5621886670626203
Energy: 0.5760084622212778
Energy: 0.5562943258981895
Energy: 0.5585841407566461
Energy: 0.5627234076981842
Energy: 0.5606684072281111
Energy: 0.5934683335803013
Energy: 0.5567081736130078
Energy: 0.5554506787845854
Energy: 0.5624841454204638
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Energy: 0.5633919822277339
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Energy: 0.5809252165436491
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Energy: 0.5630928493249918
Energy: 0.5636068778275763
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Energy: 0.5809769461502097
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Energy: 0.5858177185460947
Energy: 0.5582225800312562
Energy: 0.5617802782454197
Energy: 0.585441000651167
Energy: 0.5771452706298709
Energy: 0.585873709337905
Energy: 0.5615323245053815
Energy: 0.5612446859082264
Energy: 0.5870154805016415
Energy: 0.5780648985466044
Energy: 0.5586187581125367
Energy: 0.5850688366158503
Energy: 0.6300608112313905
Energy: 0.5785160245541114
Energy: 0.5586746442605071
Energy: 0.5913536465898458
Energy: 0.5843032716668091
Energy: 0.6313205795905925
Energy: 0.6014090386939179
Energy: 0.5584768254975153
Energy: 0.6004280322249611
Energy: 0.568484706929615
Energy: 0.57836569755669
Energy: 0.597382214311548
Energy: 0.5920060586322552
Energy: 0.5641156079171967
Energy: 0.5727269130632578
Energy: 0.5785481568781119
Energy: 0.5970185728589864
Energy: 0.5530215369990968
Energy: 0.5631814631507094
Energy: 0.5616626530731555
Energy: 0.5725089735507611
Energy: 0.6176441571589262
Energy: 0.6137293302853793
Energy: 0.5634580625904149
Energy: 0.5627321799897713
Energy: 0.5786545425084599
Energy: 0.6137594221908819
Energy: 0.6151825996146125
Energy: 0.5629880366383907
Energy: 0.5928658157841753
Energy: 0.5891862479807517
Energy: 0.635346193179804
Energy: 0.5783387375025281
Energy: 0.5629433297237931
Energy: 0.5942691782776908
Energy: 0.5895226684170911
Energy: 0.6447734845205458
Energy: 0.5791468479470138
Energy: 0.5638236430892459
Energy: 0.564982504601699
Energy: 0.6070835089472122
Energy: 0.5828759881217264
Energy: 0.629595472467006
Energy: 0.564107499415723
Energy: 0.5672054696036902
Energy: 0.6070138124795057
Energy: 0.5848136816133899
Energy: 0.5940855957206381
Energy: 0.5765853789637261
Energy: 0.5870559166047685
Energy: 0.6008575507456851
Energy: 0.5756544380931216
Energy: 0.6659147932185275
Energy: 0.5761473846923221
Energy: 0.5856901697180298
Energy: 0.6009917769143625
Energy: 0.5766634294140968
Energy: 0.6659144685117117
Energy: 0.6086170322505163
Energy: 0.5949134520389311
Energy: 0.5627634917556908
Energy: 0.561675784975399
Energy: 0.5946702482337789
Energy: 0.6130467984059536
Energy: 0.5943785517817907
Energy: 0.5652609401103739
Energy: 0.5623162048238644
Energy: 0.5841965788549869

minimum gb energy = 0.5529766589889654 eV
minimum distance =  2.56504064783258 Angstroms
sigma value = 293


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

Energy: 0.5163483964570635
Energy: 0.5279738373300781
Energy: 0.5773708960578405
Energy: 0.5289754849719712
Energy: 0.5167321857227104
Energy: 0.5161299594663179
Energy: 0.5281684682147956
Energy: 0.5772044379056886
Energy: 0.5305790627994909
Energy: 0.5165356870774801
Energy: 0.5575606521790696
Energy: 0.5268800795520036
Energy: 0.5265870071910095
Energy: 0.5261921472531547
Energy: 0.5284262526884269
Energy: 0.5570737328136627
Energy: 0.5270857807198209
Energy: 0.5163020974258146
Energy: 0.5268968695474873
Energy: 0.5273211575856969
Energy: 0.5284670865970306
Energy: 0.5279265331457107
Energy: 0.5272465046579031
Energy: 0.5271966486319963
Energy: 0.5560021787342667
Energy: 0.5280686280662944
Energy: 0.5276624144784289
Energy: 0.5265400092531233
Energy: 0.5778040733378105
Energy: 0.5566605863397008
Energy: 0.578475098961643
Energy: 0.5167028696276789
Energy: 0.5165609696480145
Energy: 0.5283153235322737
Energy: 0.5275280403801653
Energy: 0.5792204352846532
Energy: 0.5166279029982294
Energy: 0.5165374169993212
Energy: 0.5279412726742113
Energy: 0.5199915602372691
Energy: 0.5281581659008215
Energy: 0.5165282215722754
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Energy: 0.5561518353076367
Energy: 0.5275960913781691
Energy: 0.5278433728522609
Energy: 0.5167942926067316
Energy: 0.5165053341430037
Energy: 0.5265550580186971
Energy: 0.5275646395285493
Energy: 0.5274702148236149
Energy: 0.5780175215776672
Energy: 0.5285962803309224
Energy: 0.5271225798547629
Energy: 0.539784758068725
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Energy: 0.5773920983848109
Energy: 0.5284496954933156
Energy: 0.5284076793898564
Energy: 0.5387420769101042
Energy: 0.5778294561958471
Energy: 0.5213364478412046
Energy: 0.5289010700362469
Energy: 0.5269930232740572
Energy: 0.528045148336285
Energy: 0.5792421040965673
Energy: 0.5204530286262088
Energy: 0.5283436272253549
Energy: 0.5269306055341944
Energy: 0.5266980030653663
Energy: 0.5282994897492493
Energy: 0.5565029246658516
Energy: 0.5275882297099795
Energy: 0.5161888627103379
Energy: 0.5166540852195648
Energy: 0.5701113814686322
Energy: 0.5569172035144653
Energy: 0.5279619428301485
Energy: 0.5161610704042673
Energy: 0.5166144221262801
Energy: 0.5265270497087858
Energy: 0.5167478047333637
Energy: 0.5271209067503048
Energy: 0.5166938962067217
Energy: 0.5572906162651109
Energy: 0.5261202774212185
Energy: 0.5263845417585856
Energy: 0.5268819336844935
Energy: 0.5164909240349705
Energy: 0.5557220937017108
Energy: 0.5281001574380769
Energy: 0.5271791726942644
Energy: 0.5570738075673939
Energy: 0.5780297740383293
Energy: 0.6245314438473029
Energy: 0.5280836773683856
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Energy: 0.6545077938005975
Energy: 0.527558677305758
Energy: 0.5258648569946226
Energy: 0.5170951968505738
Energy: 0.5287907155513994
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Energy: 0.5286474508988537
Energy: 0.5205097798367179
Energy: 0.5779303420226559
Energy: 0.5566916855156245
Energy: 0.5161796751846988
Energy: 0.5282776982625255
Energy: 0.577161209072135
Energy: 0.5280124337366434
Energy: 0.5166642858229369
Energy: 0.5164500918217636
Energy: 0.5284325529641719
Energy: 0.577102903709903
Energy: 0.5296247597702667
Energy: 0.5164945627945142
Energy: 0.5573900193119822
Energy: 0.526839598590147
Energy: 0.5261926600389342
Energy: 0.5262387467700012
Energy: 0.5287167196187852
Energy: 0.5570140192940527
Energy: 0.5270657181150817
Energy: 0.5173827562312352
Energy: 0.5263660652365949
Energy: 0.5698048907936797
Energy: 0.5284034242704814
Energy: 0.5290084923765065
Energy: 0.5267527569259509
Energy: 0.5779769170518547
Energy: 0.5560196015486562
Energy: 0.5281313861632465
Energy: 0.527651031319077
Energy: 0.5264295025008439
Energy: 0.5777339561657917
Energy: 0.5575061150884103
Energy: 0.5782474836599575
Energy: 0.5166619121613862
Energy: 0.5167478171590233
Energy: 0.5284103865948367
Energy: 0.5279780854699857
Energy: 0.5786962909734162
Energy: 0.5168547682896251
Energy: 0.5164731330790058
Energy: 0.528168143712482
Energy: 0.5566239888170558
Energy: 0.5284700733193456
Energy: 0.5167228082097128
Energy: 0.5162939144894965
Energy: 0.5290143058280595
Energy: 0.5273811382227704
Energy: 0.5274709823092918
Energy: 0.5168053213844567
Energy: 0.516572644302654
Energy: 0.5269338729817367
Energy: 0.5278363505006681
Energy: 0.5266235136824753
Energy: 0.5778651691932304
Energy: 0.5284738289095174
Energy: 0.528024026930398
Energy: 0.5401477472234743
Energy: 0.5274691284432341
Energy: 0.5770619234524655
Energy: 0.5282695702588086
Energy: 0.5284757538721142
Energy: 0.539065339176193
Energy: 0.5778664415113343
Energy: 0.5213659864497185
Energy: 0.5284815079044148
Energy: 0.5266608188669367
Energy: 0.55723225441676
Energy: 0.5778566225290622
Energy: 0.5203850511320343
Energy: 0.5287641276277513
Energy: 0.526850042267355
Energy: 0.5260671147351023
Energy: 0.5285123216315032
Energy: 0.5561535226466614
Energy: 0.527907532936692
Energy: 0.5165578717081942
Energy: 0.5165839821240295
Energy: 0.5701830631515921
Energy: 0.5568373524045889
Energy: 0.5276465054847503
Energy: 0.5189583937438272
Energy: 0.5163299015454882
Energy: 0.5276797299816275
Energy: 0.5167719289971342
Energy: 0.5268221468154342
Energy: 0.5168149592425301
Energy: 0.5555945250808373
Energy: 0.5271923203297338
Energy: 0.5265242514508929
Energy: 0.527103767647328
Energy: 0.5167484874041935
Energy: 0.526270724779173
Energy: 0.5283242603420646
Energy: 0.5273678497709063
Energy: 0.5569684908603248
Energy: 0.5791866411831221
Energy: 0.6251362920188587
Energy: 0.5283197219652503
Energy: 0.5277811149964053
Energy: 0.6552290236259369
Energy: 0.5283332083246971
Energy: 0.5262834080208394
Energy: 0.5168583235148213
Energy: 0.5284469673801452
Energy: 0.5694136665160416
Energy: 0.5281604701136909
Energy: 0.5568565583706344
Energy: 0.5168682137528049
Energy: 0.5285119635923154
Energy: 0.5203703540456104
Energy: 0.5790944964270783
Energy: 0.5568391276157617

minimum gb energy = 0.5161299594663179 eV
minimum distance =  2.58111956675892 Angstroms
sigma value = 15


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

Energy: 0.8965100529962869
Energy: 0.6194276301691253
Energy: 0.586818481840559
Energy: 0.5501154420320773
Energy: 0.5549062093679922
Energy: 0.5526199701223204
Energy: 0.6072954439633675
Energy: 0.5867463730770132
Energy: 0.5728011270714389
Energy: 0.610077542177555
Energy: 0.5540316653889769
Energy: 0.6178006828490588
Energy: 0.5657195885511017
Energy: 0.565772105710141
Energy: 0.6209109144281175
Energy: 0.5458462004498471
Energy: 0.6206116266981878
Energy: 0.5636227531950765
Energy: 0.6263192284993464
Energy: 0.6102071320438965
Energy: 0.6244776105247245
Energy: 0.5845595761182266
Energy: 0.6062026303793143
Energy: 0.5862939761859459
Energy: 0.6165920998844289
Energy: 0.6173685441731491
Energy: 0.5696091160338489
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Energy: 0.5831077505205938
Energy: 0.6126394042772405
Energy: 0.5927002060962643
Energy: 0.5960887690095203
Energy: 0.596485497111765
Energy: 0.6364925395006686
Energy: 0.6166560918756345
Energy: 0.5894880943661521
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Energy: 0.5448807719322718
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Energy: 0.5505595804412657
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Energy: 0.6774959267739149
Energy: 0.5521809759336664
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Energy: 0.5512420187701551
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Energy: 0.6067420477239407
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Energy: 0.5503514593822744
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Energy: 0.5516471830929641
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Energy: 0.5519247702718584
Energy: 0.6667649576802738
Energy: 0.6360020879641304
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Energy: 0.6651505194488737
Energy: 0.6070172042781365
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Energy: 0.5684480359153273
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Energy: 0.5563265307090843
Energy: 0.5892346556109055
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Energy: 0.5538539788304584
Energy: 0.5539757446985899
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Energy: 0.5924616638092524
Energy: 0.5974514434716113
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Energy: 0.5539389301882975
Energy: 0.5537068544762304
Energy: 0.6136310513969504
Energy: 0.6484977248314342
Energy: 0.5541755823693345
Energy: 0.5453931356135463
Energy: 0.6590495028007477
Energy: 0.6139210552731308
Energy: 0.6562954946043431
Energy: 0.5584197626598095
Energy: 0.5450748709005836
Energy: 0.6162835485902972
Energy: 0.5943741831090484
Energy: 0.6373588619104656
Energy: 0.6396126416757062
Energy: 0.5596798763741332
Energy: 0.6077374985778917
Energy: 0.5948345865771184
Energy: 0.6105374432244163
Energy: 0.6400236102321674
Energy: 0.552985794381638
Energy: 0.6217793238362763
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Energy: 0.6151007436848688
Energy: 0.5454611055793247
Energy: 0.6437368261183122
Energy: 0.5994705233847937
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Energy: 0.5361503476448071
Energy: 0.6308409504336934
Energy: 0.5988586683124955
Energy: 0.5509475887000582
Energy: 0.5881643918814508
Energy: 0.6268144008903035
Energy: 0.6087773128122399
Energy: 0.5905709339975435
Energy: 0.5511037075509233
Energy: 0.5957494993805003
Energy: 0.6266484423633348
Energy: 0.5703764493350707
Energy: 0.6140383590057028
Energy: 0.6530633094115118
Energy: 0.6296642839024319
Energy: 0.6163604853952659
Energy: 0.620919481805066
Energy: 0.5925053065731357
Energy: 0.6534238784729541
Energy: 0.6286763779732949
Energy: 0.6166064080005792
Energy: 0.6287122112620241
Energy: 0.5788034940496989
Energy: 0.5469922958182053
Energy: 0.5543829212455411
Energy: 0.6446286059331162
Energy: 0.6531166824735916
Energy: 0.6042826669707428
Energy: 0.5482855879454539
Energy: 0.648603764318671
Energy: 0.6335629078767235
Energy: 0.6543807196775426
Energy: 0.6223953795500722
Energy: 0.6308961527196773
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Energy: 0.6708765646309898
Energy: 0.5558334917969154
Energy: 0.5518654230178839
Energy: 0.6489342577878844
Energy: 0.6791889109409949
Energy: 0.6727058342500837
Energy: 0.552698117569085
Energy: 0.5518179034275851
Energy: 0.5783647949483709
Energy: 0.6598360539957421
Energy: 0.5521323402388886
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Energy: 0.5567333603491621
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Energy: 0.5531608056278111
Energy: 0.553772066354814
Energy: 0.5982881090989064
Energy: 0.5694247543874823
Energy: 0.5541522339609886
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Energy: 0.554415079673692
Energy: 0.5970615867232514
Energy: 0.5760245065154949
Energy: 0.5546474931241628
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Energy: 0.5540621857897597
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Energy: 0.6200693071782779
Energy: 0.5584379376865999
Energy: 0.5452557059085528
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Energy: 0.6142214114645907
Energy: 0.6155796425316414
Energy: 0.5588463594248312
Energy: 0.5451055054370425
Energy: 0.645976633973793
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Energy: 0.6418832837392765
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Energy: 0.562394647057906
Energy: 0.6135514007392252
Energy: 0.5522695178622364
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Energy: 0.5939498003696629
Energy: 0.5930753350868845
Energy: 0.5854335505163035
Energy: 0.6264201317366298
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Energy: 0.599397817508224
Energy: 0.5586367770231943
Energy: 0.5862206986372522
Energy: 0.6266384015338111
Energy: 0.5649154976218906
Energy: 0.6129605682507638
Energy: 0.6372914542512759
Energy: 0.6301725725252779
Energy: 0.6217398975100638
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Energy: 0.5783175998350528
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Energy: 0.628354938065448
Energy: 0.6167974339627894
Energy: 0.6048579027785778
Energy: 0.5520035048126294
Energy: 0.6251658378431558
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Energy: 0.6300476011924663
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Energy: 0.6681329002001487
Energy: 0.5515884791384518
Energy: 0.6812545854804762
Energy: 0.6801033181573584
Energy: 0.6785694768456801
Energy: 0.6282831732105294
Energy: 0.5514275010509562
Energy: 0.577840381733417
Energy: 0.6355817860852737
Energy: 0.5539038508169685
Energy: 0.5535203775944649
Energy: 0.5512270503271802
Energy: 0.5786169233124467
Energy: 0.6351215738922502
Energy: 0.5519207655351714
Energy: 0.5532299232222658
Energy: 0.5567902160028781
Energy: 0.551001996716723
Energy: 0.6132708221016876
Energy: 0.6021056251544782
Energy: 0.5509616050404101
Energy: 0.551730344302693
Energy: 0.5905124075278042
Energy: 0.6138019478266464
Energy: 0.6068977863965482
Energy: 0.5507057307947753
Energy: 0.5517416416216782
Energy: 0.596436008633118
Energy: 0.5960494028136677
Energy: 0.5571929181249575
Energy: 0.552901313066738
Energy: 0.6152837050727398
Energy: 0.5946604711630618
Energy: 0.5959590893063887
Energy: 0.5526238441683372
Energy: 0.5684830370999462
Energy: 0.602761600808968
Energy: 0.5509561508922628
Energy: 0.5504100532566928
Energy: 0.5934994926066386
Energy: 0.6616775949423783
Energy: 0.6138921757441925
Energy: 0.5454686389470621
Energy: 0.5453521400226229
Energy: 0.5941304552888352
Energy: 0.6600559579863546
Energy: 0.6009519864217273
Energy: 0.5505003587697527
Energy: 0.5521156237051628
Energy: 0.5508635527977003
Energy: 0.5880863012558277
Energy: 0.5583605712981978
Energy: 0.5573260646317252
Energy: 0.553730723152157
Energy: 0.5609105624669884
Energy: 0.5763127355972979
Energy: 0.5532937155316019
Energy: 0.5533996827568252
Energy: 0.5459491646098867
Energy: 0.6215086892206513
Energy: 0.6253329294619205
Energy: 0.5904321770443759
Energy: 0.5533718847631931
Energy: 0.5549721420795701
Energy: 0.6191537922118171
Energy: 0.6102222108375585
Energy: 0.5832510477565634
Energy: 0.5631091188991835
Energy: 0.6169942699196438
Energy: 0.6074299518732978
Energy: 0.5720335567262583
Energy: 0.5373507636702746
Energy: 0.5560220017939884
Energy: 0.6180788395670842
Energy: 0.6074093657647189
Energy: 0.5955557295122488
Energy: 0.5548116016876138

minimum gb energy = 0.5361503476448071 eV
minimum distance =  2.56004404487892 Angstroms
sigma value = 437


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

Energy: 0.711678936470212
Energy: 0.5921753605469164
Energy: 0.6066274363062882
Energy: 0.580504076857515
Energy: 0.5742683760295957
Energy: 0.712582568271298
Energy: 0.590702263710799
Energy: 0.5974854198440517
Energy: 0.6255965039406883
Energy: 0.6198324140422024
Energy: 0.584600913647319
Energy: 0.5921224872631327
Energy: 0.6121931801902322
Energy: 0.6171175570141779
Energy: 0.5924472289671187
Energy: 0.5969545639542636
Energy: 0.5901670896140688
Energy: 0.6102718351052074
Energy: 0.6549043546192971
Energy: 0.5954514237738459
Energy: 0.5846617415173403
Energy: 0.5931922842376434
Energy: 0.5778272909179588
Energy: 0.5513651406825906
Energy: 0.574363837698983
Energy: 0.5865602752729818
Energy: 0.593646398530123
Energy: 0.5785275088796576
Energy: 0.5501785523783916
Energy: 0.5744070834821186
Energy: 0.5494773281208494
Energy: 0.5508835892224686
Energy: 0.57712668745001
Energy: 0.585655640514477
Energy: 0.5682672978785567
Energy: 0.5502060807169674
Energy: 0.549606878414375
Energy: 0.5771855543282414
Energy: 0.5837092572618263
Energy: 0.5683735857094906
Energy: 0.6415666735257143
Energy: 0.5864819810640383
Energy: 0.5494817900109957
Energy: 0.5485889504527928
Energy: 0.5426847622363333
Energy: 0.6370600894486002
Energy: 0.5774881285513631
Energy: 0.5508565473290377
Energy: 0.5488234214598638
Energy: 0.5426331918044557
Energy: 0.5537495018987809
Energy: 0.5478753716397116
Energy: 0.5702796001257526
Energy: 0.5937309538457065
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Energy: 0.5668556350496967
Energy: 0.5478936496192176
Energy: 0.5718288118317393
Energy: 0.5945868299574686
Energy: 0.7136474706727155
Energy: 0.5892249198830636
Energy: 0.575423257474996
Energy: 0.5730327031157918
Energy: 0.5760311599505974
Energy: 0.5845133352970416
Energy: 0.5831769473740595
Energy: 0.5737468780641736
Energy: 0.5735707722783144
Energy: 0.5511599709170598
Energy: 0.586799707591225
Energy: 0.5897038118323454
Energy: 0.5787777429913197
Energy: 0.5474031064962306
Energy: 0.6671496969456131
Energy: 0.5856665878055255
Energy: 0.5878863079454097
Energy: 0.5740918529279919
Energy: 0.5483020146210156
Energy: 0.6643550406797781
Energy: 0.5868723148879977
Energy: 0.5489721048747518
Energy: 0.5797995418802177
Energy: 0.5938310149200284
Energy: 0.5790342459675936
Energy: 0.5497812720851881
Energy: 0.5481339328514596
Energy: 0.5785789067072176
Energy: 0.5933253547894985
Energy: 0.5791924627021932
Energy: 0.5488811860669247
Energy: 0.5546379245050226
Energy: 0.5981917133114648
Energy: 0.5363512573134336
Energy: 0.5348037142208609
Energy: 0.5948267917986515
Energy: 0.5725390356382992
Energy: 0.6013622145271024
Energy: 0.5374601494107722
Energy: 0.5339462249574385
Energy: 0.594277386096133
Energy: 0.5331463899728682
Energy: 0.5323592633208989
Energy: 0.5941223060140733
Energy: 0.5405440736198093
Energy: 0.5337391464085408
Energy: 0.5325317675805554
Energy: 0.5320534251536287
Energy: 0.5958070688055193
Energy: 0.541085756196845
Energy: 0.5506234207254823
Energy: 0.5348050366680205
Energy: 0.5360109783141518
Energy: 0.5339504104810778
Energy: 0.5777578158910667
Energy: 0.53446631450682
Energy: 0.5341599880106314
Energy: 0.5382208114222659
Energy: 0.5343787582462542
Energy: 0.578439091203829
Energy: 0.5333196037921555
Energy: 0.5329697725841195
Energy: 0.5347064649729618
Energy: 0.6674895593724707
Energy: 0.5774640422499967
Energy: 0.5334277332208521
Energy: 0.5337971291603487
Energy: 0.5355892747995451
Energy: 0.6646363573217312
Energy: 0.5781920088572359
Energy: 0.5331938690884985
Energy: 0.6088775377471067
Energy: 0.5549123482663101
Energy: 0.6457023329113911
Energy: 0.5381317954648305
Energy: 0.5394346501106654
Energy: 0.6085528217870594
Energy: 0.5542639158435596
Energy: 0.6370225802145869
Energy: 0.5384856445751822
Energy: 0.5533081236071554

minimum gb energy = 0.5320534251536287 eV
minimum distance =  2.56526901168286 Angstroms
sigma value = 33