Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.84364253282547
cohesive_energy=4.0219588042344245
mass=55.845
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=[4.6098627201765e-19, 5.198230045480319e-19, 5.42730926060964e-19, 5.50669711282434e-19, 5.59858194278424e-19, 5.71711097016756e-19, 5.82444078287922e-19, 5.87856230957574e-19, 5.89315813871148e-19, 5.884954994345399e-19, 5.86975033808874e-19, 5.86265269560012e-19, 5.874669020355119e-19, 5.910830146984499e-19, 5.970110682442499e-19, 6.04674279084672e-19, 6.132154827205259e-19, 6.2167978187794795e-19, 6.29243657767062e-19, 6.35344746389334e-19, 6.39713882070252e-19, 6.4244078670132e-19, 6.43889154378456e-19, 6.443377638359759e-19, 6.4386832608221385e-19, 6.423446561032799e-19, 6.39579299232996e-19, 6.353976182182559e-19, 6.296954715778499e-19, 6.22464848428608e-19, 6.13867568610564e-19, 6.039981605451239e-19, 5.92867839468726e-19, 5.802795376553879e-19, 5.65187033763108e-19, 5.45211095490396e-19, 5.164776597362399e-19, 4.740456137613839e-19, 4.1281362716317194e-19, 3.28890012897618e-19, 2.2230040579086596e-19, 9.555717902269139e-20, -5.48606107777842e-20, -2.4749623553715e-19, -5.29714843086348e-19, -1.015424302743252e-18, -2.00499588332028e-18, -4.44849148960002e-18, -1.1584217716810199e-17, -3.50304705787662e-17, -1.21056461023455e-16, -4.833750883011659e-16]
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: 0.014181617367080153
Energy: 0.3984806597647153
Energy: 0.2995317927574887
Energy: 0.344127054299732
Energy: 0.33626957944771285
Energy: 0.20157316489484012
Energy: 0.33709483096988213
Energy: 0.33215761176622943
Energy: 0.38326202095237266
Energy: 0.01567090952716495
Energy: 0.37912068101672275
Energy: 0.32392134669512357
Energy: 0.38048263281341055
Energy: 0.01465675696656804
Energy: 0.015011310956810568
Energy: 0.3791429612862305
Energy: 0.30502167463752144
Energy: 0.37944293675524876
Energy: 0.2544228511856875
Energy: 0.18086349897948614
Energy: 0.3325417469106548
Energy: 0.3874815140122759
Energy: 0.1980375276334603
Energy: 0.015513511505533746
Energy: 0.2642428139521693
Energy: 0.314510866644573
Energy: 0.015531818861955269
Energy: 0.014452897967162353
Energy: 0.38131687417627425
Energy: 0.3096532984320958
Energy: 0.015113882713959819
Energy: 0.09381402205800178
Energy: 0.31628181840884906
Energy: 0.31606114448258255
Energy: 0.38869512312714805
Energy: 0.17917262276175416
Energy: 0.014711808756371394
Energy: 0.014818127902214609
Energy: 0.3112071268617802
Energy: 0.014507971927968023
Energy: 0.015429298040983542
Energy: 0.37243489554611875
Energy: 0.32187940643774265
Energy: 0.014827952065748332
Energy: 0.014710374636350302
Energy: 0.3172244035351383
Energy: 0.30216473445221764
Energy: 0.3251532434457782
Energy: 0.32102523288003304
Energy: 0.014479026941997293
Energy: 0.31713266444652366
Energy: 0.31216866756855394
Energy: 0.3241754687685127
Energy: 0.01471550772163506
Energy: 0.014421077730224992
Energy: 0.3106625450971605
Energy: 0.014817699722177322
Energy: 0.015253892613804724
Energy: 0.18835188725524604
Energy: 0.38341295596563957
Energy: 0.014642081606150676
Energy: 0.18760016455057002
Energy: 0.2564191202289795
Energy: 0.3166984147048894
Energy: 0.31874667483899943
Energy: 0.3335176776805716
Energy: 0.014619473598509198
Energy: 0.015465672582604081
Energy: 0.31582528930700005
Energy: 0.26153772888668336

minimum gb energy = 0.014181617367080153 eV
minimum distance =  2.3830120438733 Angstroms
sigma value = 3


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

Energy: 0.6667955421060408
Energy: 0.655179831182556
Energy: 0.6009223598120164
Energy: 0.6386179096592156
Energy: 0.5423723137595219
Energy: 0.6190403494086236
Energy: 0.5304157522986536
Energy: 0.5865400109617037
Energy: 0.6630067559620321
Energy: 0.7163656941442633
Energy: 0.5776813616681978
Energy: 0.6485767596999558
Energy: 0.6113952964754122
Energy: 0.6839388932437234
Energy: 0.6944962257459347
Energy: 0.6139975492229954
Energy: 0.6169296134954431
Energy: 0.6173573677392037
Energy: 0.5787883629761049
Energy: 0.5572668732952611
Energy: 0.5766121266792662
Energy: 0.6545329537367813
Energy: 0.6239499449945197
Energy: 0.6000666027535542
Energy: 0.6440662844599093
Energy: 0.7095827461585382
Energy: 0.5685741743059726
Energy: 0.6793968457724109
Energy: 0.604366535323193
Energy: 0.6316578802725702
Energy: 0.6091595519507376
Energy: 0.6809357444997272
Energy: 0.5473341398736091
Energy: 0.6009430628425524
Energy: 0.6774694813675285
Energy: 0.6824728758005396
Energy: 0.5704597399155442
Energy: 0.6145451702301138
Energy: 0.6973459337900099
Energy: 0.6663385240457563
Energy: 0.6206242338571869
Energy: 0.6929844243000173
Energy: 0.6741208516885321
Energy: 0.6467151042635163
Energy: 0.6164400300626458
Energy: 0.5426358441354885
Energy: 0.5690398442897782
Energy: 0.6607794622594395
Energy: 0.593739107463339
Energy: 0.6344201865690116
Energy: 0.5687886418042748
Energy: 0.5745912086323035
Energy: 0.5628765454662584
Energy: 0.6084469831021856
Energy: 0.6346674088755592
Energy: 0.646845108389156
Energy: 0.6085315004153856
Energy: 0.6036133453056125
Energy: 0.6603245202575573
Energy: 0.5724650793364283
Energy: 0.5812381480959345
Energy: 0.566856617627504
Energy: 0.5661971512537177
Energy: 0.605306721146464
Energy: 0.532807904945338
Energy: 0.5747433198704659
Energy: 0.6316370949022894
Energy: 0.5788615635843389
Energy: 0.5718300887793886
Energy: 0.5743772103089622
Energy: 0.550014576209442
Energy: 0.5361948765659322
Energy: 0.5604049009686766
Energy: 0.5655993879051313
Energy: 0.5309534761348838
Energy: 0.6060054826733807
Energy: 0.6227549921708988
Energy: 0.5694878405899205
Energy: 0.5539801369759476
Energy: 0.6543791895007985
Energy: 0.5753855552466226
Energy: 0.5391239701523969
Energy: 0.6044170529543367
Energy: 0.5250586247550685
Energy: 0.5332979485721446
Energy: 0.5783765183211804
Energy: 0.5605612696311811
Energy: 0.5345760436954764
Energy: 0.5367005510210523
Energy: 0.5986961304374706
Energy: 0.6095023702456992
Energy: 0.5765459239309979
Energy: 0.5833069858405587
Energy: 0.5337670465607423
Energy: 0.5484597592650863
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Energy: 0.5627321467826748
Energy: 0.5934817871428476
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Energy: 0.5793861699074102
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Energy: 0.57495206842168
Energy: 0.5970449465158509
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Energy: 0.5897383331815965
Energy: 0.5898875923974642
Energy: 0.5757730571230883
Energy: 0.6797383265543651
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Energy: 0.6784292430484778
Energy: 0.5751506511860189
Energy: 0.576413175319609
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Energy: 0.662750992915583
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Energy: 0.6030777461726275
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Energy: 0.6061676573500935
Energy: 0.5993153033732918
Energy: 0.6570180217171897
Energy: 0.6078229036716518
Energy: 0.6805713076363532
Energy: 0.6195315031865961
Energy: 0.6809187936858895
Energy: 0.6773414220286565
Energy: 0.6442895666170249
Energy: 0.6347214266249278
Energy: 0.5559382778993599
Energy: 0.5785618796110497
Energy: 0.5900461323859333
Energy: 0.6210834155724015
Energy: 0.6359257682085016
Energy: 0.5854865994028626
Energy: 0.5311383651754066
Energy: 0.6212145518276304
Energy: 0.6330388278179518
Energy: 0.7556515096259981
Energy: 0.6662329924220409
Energy: 0.6714787941318348
Energy: 0.6652746351349907
Energy: 0.6378225206134458
Energy: 0.5798570574490884
Energy: 0.5656061064171636
Energy: 0.6109269573012017
Energy: 0.61422092958561
Energy: 0.5195217423864535
Energy: 0.5665915036510265
Energy: 0.5786018196218619
Energy: 0.6680591695148891
Energy: 0.7105249368025881
Energy: 0.6304306184038283
Energy: 0.6535268912348887
Energy: 0.7479895126170556
Energy: 0.5667442153437953
Energy: 0.5823100976573637
Energy: 0.5907261627228426
Energy: 0.6240458610858796
Energy: 0.5877814977422325
Energy: 0.6566880290510873
Energy: 0.6577540993813217
Energy: 0.6260831379220803
Energy: 0.6935566589008334
Energy: 0.6729034082213307
Energy: 0.6147563365471276
Energy: 0.6267158275397646
Energy: 0.7500888082084397
Energy: 0.7010823521146393
Energy: 0.6921093358727515
Energy: 0.6831789563769631
Energy: 0.5539676634822192
Energy: 0.5666341899776016
Energy: 0.6659686092813251
Energy: 0.6107057008519599
Energy: 0.5624165580439014
Energy: 0.6536121393039995
Energy: 0.6061620437013878
Energy: 0.6622392188093995
Energy: 0.6250570410396445
Energy: 0.6900526144457731
Energy: 0.6672969354525529
Energy: 0.6347837997467461
Energy: 0.6514325401723725
Energy: 0.6709622384733962
Energy: 0.5991455981366272
Energy: 0.6048815530159789
Energy: 0.6449945907865481
Energy: 0.5665461596769339
Energy: 0.5776353181583459
Energy: 0.613971336760587
Energy: 0.6857552941843197
Energy: 0.6371559617399618
Energy: 0.6366443458630923
Energy: 0.5831777896726575
Energy: 0.6524995545317667
Energy: 0.5821596387648986
Energy: 0.5714947143924832
Energy: 0.5740574511900253
Energy: 0.533779139440958
Energy: 0.5864082515854797
Energy: 0.5968319995975768
Energy: 0.6217514708690981
Energy: 0.5322077670607668
Energy: 0.5536294140850941
Energy: 0.6524694553005885
Energy: 0.5694234710627126
Energy: 0.5703130390474009
Energy: 0.6639105427982743
Energy: 0.5378714686904842
Energy: 0.5368331051694899
Energy: 0.5612500849703713
Energy: 0.597960354087627
Energy: 0.5287313794033287
Energy: 0.5641663048140506
Energy: 0.5641928345801015
Energy: 0.5343211997582373
Energy: 0.541316000889743
Energy: 0.59615655870648
Energy: 0.554680152163852
Energy: 0.5362407905796464
Energy: 0.5759812419405528
Energy: 0.5564708476289263
Energy: 0.534046026802213
Energy: 0.5732879638886572
Energy: 0.5545131559509655
Energy: 0.5376631674926478
Energy: 0.5573152829011552
Energy: 0.5698017017063797
Energy: 0.5644588265905408
Energy: 0.5787689784572612
Energy: 0.5845462690213054
Energy: 0.6927777658852904
Energy: 0.5475667521657859
Energy: 0.5629296094110137
Energy: 0.6332224397536586
Energy: 0.5795783274429922
Energy: 0.573309078676856
Energy: 0.5742382514877546
Energy: 0.6331423010696694
Energy: 0.6081044409949389
Energy: 0.5976866781959104
Energy: 0.62216547811894
Energy: 0.614498708121857
Energy: 0.5376182547969017
Energy: 0.6571059375205076
Energy: 0.6012892493552339
Energy: 0.586472309205554
Energy: 0.6155981070742736
Energy: 0.6584664223493581
Energy: 0.602358053511995
Energy: 0.574332231389182
Energy: 0.6332643188506721
Energy: 0.6602637336687245
Energy: 0.606676164513396
Energy: 0.5899109666373555
Energy: 0.6767432845679727
Energy: 0.6356707755320719
Energy: 0.6801102982863564
Energy: 0.5964584587604124
Energy: 0.6336372982425532
Energy: 0.5648626423155941
Energy: 0.5780563438520753
Energy: 0.6497239421967851
Energy: 0.554004739618278
Energy: 0.5790470321974713
Energy: 0.6312949827834999
Energy: 0.5620446498774588
Energy: 0.6088004038646003
Energy: 0.6888754758312468
Energy: 0.6666850772687051
Energy: 0.6838850579522202
Energy: 0.6350103352842809
Energy: 0.6468339672556921
Energy: 0.6174136117311264
Energy: 0.632732225327358
Energy: 0.6446731162836926
Energy: 0.6372328138550452
Energy: 0.585408864867278
Energy: 0.5972926601148326
Energy: 0.5469705882600556
Energy: 0.6377494361024386
Energy: 0.6605304703448226
Energy: 0.6878557361846436

minimum gb energy = 0.5195217423864535 eV
minimum distance =  2.25958746473345 Angstroms
sigma value = 75


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

Energy: 0.6730143278087354
Energy: 0.667312750835171
Energy: 0.6599627261374887
Energy: 0.6212969367001934
Energy: 0.5720710763499903
Energy: 0.5958475346556805
Energy: 0.5762397943934243
Energy: 0.5451443011648986
Energy: 0.6097157877081286
Energy: 0.6786530313333987
Energy: 0.658027177819349
Energy: 0.6771185430267012
Energy: 0.6364674335182704
Energy: 0.6535295754563161
Energy: 0.6766097744141194
Energy: 0.6277932852377468
Energy: 0.5778116357849553
Energy: 0.581283829833455
Energy: 0.5756831411141852
Energy: 0.5930272637881004
Energy: 0.5884584303778713
Energy: 0.6217715709068058
Energy: 0.6173886500912845
Energy: 0.5595842595225461
Energy: 0.6609255088529693
Energy: 0.6463703447069247
Energy: 0.5849258699311576
Energy: 0.6730569109067976
Energy: 0.5974541684922647
Energy: 0.5703377644736722
Energy: 0.5813794262410688
Energy: 0.6452362988368686
Energy: 0.577747066575489
Energy: 0.5406697505816439
Energy: 0.6262464166278282
Energy: 0.621708865649057
Energy: 0.5394071004214358
Energy: 0.5502446940864679
Energy: 0.6000386184522268
Energy: 0.5865343375048069
Energy: 0.5150051936032155
Energy: 0.5707568888110711
Energy: 0.574077454644621
Energy: 0.5238911756365178
Energy: 0.6051543911527405
Energy: 0.5978890472309427
Energy: 0.5339124195229351
Energy: 0.5543119612828785
Energy: 0.5608258217486912
Energy: 0.662393317796994
Energy: 0.5280688543427977
Energy: 0.5258702507115347
Energy: 0.5446412679409083
Energy: 0.5895913056579578
Energy: 0.5267613646092085
Energy: 0.5484743801866437
Energy: 0.5388984636771939
Energy: 0.5335012016182066
Energy: 0.5484470475379875
Energy: 0.5597603084916756
Energy: 0.5270028968109319
Energy: 0.5264561116526343
Energy: 0.5626617558403779
Energy: 0.519465370133902
Energy: 0.544830223793307
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Energy: 0.6036779640456754
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Energy: 0.599678414334499
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Energy: 0.6399100465097253
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Energy: 0.5566671559216965
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Energy: 0.5977880921217917
Energy: 0.5589039952886171
Energy: 0.6305998689334165
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Energy: 0.6222151635309214
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Energy: 0.6616106307904804
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Energy: 0.6079507640744503
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Energy: 0.5842286211056397
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Energy: 0.6519782710144105
Energy: 0.6303095523631549
Energy: 0.5563319879088231
Energy: 0.5640817869286876
Energy: 0.608212675218053
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Energy: 0.7050437586439147
Energy: 0.6764039599907935
Energy: 0.619695761632156
Energy: 0.6284609897165323
Energy: 0.6085981473734716
Energy: 0.5755985644390041
Energy: 0.5709014949555603
Energy: 0.5766639903868304
Energy: 0.6007290768298363
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Energy: 0.5629856146279429
Energy: 0.548819687656459
Energy: 0.5602728745317433
Energy: 0.5624102851432236
Energy: 0.5834786482792401
Energy: 0.5454454944116374
Energy: 0.5693863509096593
Energy: 0.5482059674596982
Energy: 0.5235287026488592
Energy: 0.5232538045679989
Energy: 0.573442671921127
Energy: 0.542340661907418
Energy: 0.55266059388426
Energy: 0.5645006073634781
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Energy: 0.5248727658807649
Energy: 0.5248869863438868
Energy: 0.6279318528962163
Energy: 0.5278652591879576
Energy: 0.5247658809031095
Energy: 0.5795426690862067
Energy: 0.5622878934009946
Energy: 0.5333589312043933
Energy: 0.5416551580211458
Energy: 0.5789520398745516
Energy: 0.5253776336564179
Energy: 0.5247079937521048
Energy: 0.5903940471188124
Energy: 0.5602456560017739
Energy: 0.5511761174345478
Energy: 0.5278863485951085
Energy: 0.6379439550479864
Energy: 0.5513541208821828
Energy: 0.5459354299200858
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Energy: 0.6006616066525445
Energy: 0.5838776071853392
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Energy: 0.5733209983135737
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Energy: 0.6186555888257936
Energy: 0.5491315625477278
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Energy: 0.6122590185516326
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Energy: 0.5616546704259712
Energy: 0.6009529916313973
Energy: 0.6066803462955392
Energy: 0.5631688972460206
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minimum gb energy = 0.5150051936032155 eV
minimum distance =  2.25982114686653 Angstroms
sigma value = 105


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

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Energy: 0.5998591985700936
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Energy: 0.5149207721783681
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Energy: 0.5852648893280954
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Energy: 0.5546677160542506
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Energy: 0.5282293439154941
Energy: 0.6416624050414701
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Energy: 0.5506177799021085
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Energy: 0.5305552089647505
Energy: 0.5800036537067269
Energy: 0.6196657288142843
Energy: 0.5694161275104752
Energy: 0.5861353262480342
Energy: 0.5406131109889357
Energy: 0.5437337453760542
Energy: 0.6127761767494585
Energy: 0.5830476120645579
Energy: 0.6132055903042483
Energy: 0.5370557109074728
Energy: 0.5998056442886008
Energy: 0.5559427470223911
Energy: 0.5436982831018373
Energy: 0.5372926907932934
Energy: 0.5946045780667191
Energy: 0.5624094239480234
Energy: 0.6230730419353033
Energy: 0.5725494269936586
Energy: 0.5852877383710654
Energy: 0.6036073414633475
Energy: 0.5587702435851618
Energy: 0.5905434173077402
Energy: 0.5843800190465499
Energy: 0.5666976502264007
Energy: 0.5492894817210535
Energy: 0.5521069983275874
Energy: 0.5878893382064313
Energy: 0.545085667057328
Energy: 0.572085416892743
Energy: 0.5483090749462761
Energy: 0.5404417321381967
Energy: 0.49121018216468726
Energy: 0.5576187796622132
Energy: 0.5185299927626966
Energy: 0.5316921661297902
Energy: 0.5756138168791829
Energy: 0.5302053128232552
Energy: 0.5324386617262028
Energy: 0.5294802077776403
Energy: 0.518263974961181
Energy: 0.5102697880666347
Energy: 0.5318902322701541
Energy: 0.5325358448001324
Energy: 0.5397721187780302
Energy: 0.5195662438125317
Energy: 0.5765462424980059
Energy: 0.5850018339923545
Energy: 0.5359061394677442
Energy: 0.564316641315485
Energy: 0.5124730364786617
Energy: 0.5874980341616259
Energy: 0.5848965704129149
Energy: 0.595881552574701
Energy: 0.5783673813026625
Energy: 0.6261812772388101
Energy: 0.5590250138400041
Energy: 0.586874751688816
Energy: 0.5695435899393324
Energy: 0.5800535863050271
Energy: 0.5688115050490179
Energy: 0.6071345440344361
Energy: 0.5334329146705185
Energy: 0.5373097905978456
Energy: 0.6213336661483998
Energy: 0.6466833627085691
Energy: 0.5546259050382575
Energy: 0.6213747485916276
Energy: 0.5647878718473306
Energy: 0.5900260554596246
Energy: 0.5785454385246193
Energy: 0.5460424044076274

minimum gb energy = 0.48246016449512635 eV
minimum distance =  2.24995596194351 Angstroms
sigma value = 165


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

Energy: 0.5698022815741757
Energy: 0.6116585043883401
Energy: 0.5140460434159708
Energy: 0.6020738927805652
Energy: 0.5578881096594427
Energy: 0.6009568379789585
Energy: 0.5655615425307097
Energy: 0.5484486291810013
Energy: 0.5951180006524672
Energy: 0.6290646604305652
Energy: 0.5769795885381057
Energy: 0.6177913670504434
Energy: 0.5919067201082782
Energy: 0.6178703893234598
Energy: 0.5857057994444983
Energy: 0.564094013034952
Energy: 0.61408124918378
Energy: 0.5635704593886061
Energy: 0.5643031400357275
Energy: 0.6064085612923017
Energy: 0.5603195452246648
Energy: 0.597935240906272
Energy: 0.5502435388026645
Energy: 0.5502260730413955
Energy: 0.6189310387475916
Energy: 0.5384904429580947
Energy: 0.6068225316448795
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Energy: 0.5436894243901279
Energy: 0.5256160683413729
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Energy: 0.5273317398303954
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Energy: 0.5534968892459207
Energy: 0.5625672777223023
Energy: 0.5192840396740322
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Energy: 0.5460788156177669
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Energy: 0.5149048930346964
Energy: 0.5125109706771555
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Energy: 0.5420657326104964
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Energy: 0.599998848968464
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Energy: 0.5307015546958321
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Energy: 0.5418779220171721
Energy: 0.5922897276355957
Energy: 0.7120273448092894
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Energy: 0.5378835298987561
Energy: 0.5407098234256983
Energy: 0.6091609678366807
Energy: 0.547857735698241
Energy: 0.5099757398861275
Energy: 0.5361373739640415
Energy: 0.6735384020522139
Energy: 0.6283660853168721
Energy: 0.594294881134326
Energy: 0.6194872018436742
Energy: 0.5990377596367168
Energy: 0.6612542879591335
Energy: 0.6047901778584138
Energy: 0.5416452946810656
Energy: 0.589483366280846
Energy: 0.5269287555074721
Energy: 0.5498410269824167
Energy: 0.53234452095405
Energy: 0.5294880837777977
Energy: 0.5614458936690075
Energy: 0.5685870559573512
Energy: 0.5111555698469036
Energy: 0.5200826470207635
Energy: 0.6000284681295703
Energy: 0.6014227846788608
Energy: 0.5442184167871987
Energy: 0.525886549985169
Energy: 0.5432684913399978
Energy: 0.5124751833680011
Energy: 0.5399925252463776
Energy: 0.537812256342405
Energy: 0.5424568190878158
Energy: 0.5166969154364844
Energy: 0.5354113261731419
Energy: 0.5490027398002637
Energy: 0.5545716399681301
Energy: 0.5945030609992791
Energy: 0.5694518307495183
Energy: 0.5294808933454742
Energy: 0.5065874600267116
Energy: 0.4881164839198812
Energy: 0.5769897116050039
Energy: 0.5167190456877707
Energy: 0.5290154674392128
Energy: 0.5682363315361888
Energy: 0.5291520231561775
Energy: 0.5386795074985608
Energy: 0.55075410763834
Energy: 0.5336768983532206
Energy: 0.5818304882008581
Energy: 0.5508102993596569
Energy: 0.5406775389891563
Energy: 0.5813171840052721
Energy: 0.5960163841506017
Energy: 0.6292126986922942
Energy: 0.5358606133654187
Energy: 0.5300153226654167
Energy: 0.5258511156846936
Energy: 0.5265888429459274
Energy: 0.5916276361114073
Energy: 0.5778218310520052

minimum gb energy = 0.4881164839198812 eV
minimum distance =  2.27197373604939 Angstroms
sigma value = 41


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

Energy: 0.7512484720181742
Energy: 0.6691526081221124
Energy: 0.7262270832945509
Energy: 0.6354812682306025
Energy: 0.5555716698784318
Energy: 0.690795403199342
Energy: 0.6276242043933697
Energy: 0.6149104064285217
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Energy: 0.6442487458448469
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Energy: 0.6049122388679856
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Energy: 0.5633341090455912
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Energy: 0.6838443266428493
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Energy: 0.6372249588731643
Energy: 0.620582052101074
Energy: 0.6352446767360164
Energy: 0.5993552397502031
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Energy: 0.5915120511017736
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Energy: 0.6497997372538814
Energy: 0.6281131306578182
Energy: 0.5941146309882822
Energy: 0.6012952905902746
Energy: 0.5355123960742115
Energy: 0.5603195125225771
Energy: 0.5969479163623008
Energy: 0.6624248363005051
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Energy: 0.610867040855015
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Energy: 0.5993124846116814
Energy: 0.6323961628803461
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Energy: 0.5999732297575432
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Energy: 0.6463935794621157
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Energy: 0.7195969807703069
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Energy: 0.673050969411565
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Energy: 0.583924474254325
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Energy: 0.6224878252745687
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Energy: 0.6621260771895918
Energy: 0.6123665353522963
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Energy: 0.5813137888650546
Energy: 0.6346657453240624
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Energy: 0.5891977817534311
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Energy: 0.6716374073714816
Energy: 0.652180625593224
Energy: 0.5791806959647252
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Energy: 0.5596963083784188
Energy: 0.5372599475113099
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Energy: 0.6182091020048333
Energy: 0.5699057233604996
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Energy: 0.631283354770796
Energy: 0.5816158754457719
Energy: 0.5748987404195602
Energy: 0.6219393163476965
Energy: 0.6703022291935192
Energy: 0.6559780541356813
Energy: 0.6783310176231522
Energy: 0.6592042797523818
Energy: 0.5341814204393787
Energy: 0.6392049686394901
Energy: 0.6909320990547522
Energy: 0.5908691186152578
Energy: 0.5599546182107753
Energy: 0.6247573282957569
Energy: 0.6095757125441309
Energy: 0.6413489518479679
Energy: 0.6601566101817736
Energy: 0.7169468175355234
Energy: 0.6471975446179602
Energy: 0.6815662862760269
Energy: 0.6623143563149813
Energy: 0.6779727338125423
Energy: 0.6142664175058906
Energy: 0.6422363747773716
Energy: 0.6487171012620814
Energy: 0.6215301134709743
Energy: 0.6703098438985832
Energy: 0.595889983358161
Energy: 0.628022472038158
Energy: 0.6531786986609167
Energy: 0.5680147342693129
Energy: 0.639275956891878
Energy: 0.6528795503037763
Energy: 0.6624891406035048
Energy: 0.6687325714109822
Energy: 0.6018023316063428
Energy: 0.6018096330541929
Energy: 0.5904519385255734
Energy: 0.6624341235373244
Energy: 0.6134504022629275
Energy: 0.5525316012647267
Energy: 0.6237416400464509
Energy: 0.6847476002830472
Energy: 0.6330579623175827
Energy: 0.6696227473210421
Energy: 0.645631484943787
Energy: 0.5237958812407608
Energy: 0.5901817475254725
Energy: 0.5994699193739648
Energy: 0.5775532721165988
Energy: 0.5465969930336132
Energy: 0.62920885275855
Energy: 0.5779342813357521
Energy: 0.5881853039676941
Energy: 0.6535343591711713
Energy: 0.6119249872163994
Energy: 0.6110181367380682
Energy: 0.6156859301019986
Energy: 0.5962665325102041
Energy: 0.6503606102902338
Energy: 0.5412683854777799
Energy: 0.593658242390283
Energy: 0.6449761080365701
Energy: 0.5850515419642854
Energy: 0.5752737943188622
Energy: 0.6160196403907714
Energy: 0.6998411321435138
Energy: 0.7038398434510954
Energy: 0.6142809682001669
Energy: 0.6846772271717716
Energy: 0.6767531899985768
Energy: 0.6059507865040467
Energy: 0.630236817525578
Energy: 0.5611873432654546
Energy: 0.593736578110192
Energy: 0.6849455206481898
Energy: 0.6244572718880713
Energy: 0.662752633347671
Energy: 0.6978884767694697

minimum gb energy = 0.5237958812407608 eV
minimum distance =  2.25367462568652 Angstroms
sigma value = 185


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

Energy: 1.185514526006018
Energy: 0.6816073658349884
Energy: 0.6583675069180893
Energy: 0.6328807257369439
Energy: 0.6017643043505322
Energy: 0.6321801453536056
Energy: 0.6435865145228383
Energy: 0.6085355053257195
Energy: 0.6506664857156174
Energy: 0.6160881838115105
Energy: 0.5951093484461228
Energy: 0.6803719921727066
Energy: 0.6321505262338952
Energy: 0.6231907113016982
Energy: 0.6460574929311305
Energy: 0.6535491052595952
Energy: 0.6402360943295837
Energy: 0.6473266603528013
Energy: 0.6514326348057199
Energy: 0.5695169714790725
Energy: 0.5547021726470522
Energy: 0.6329956384511715
Energy: 0.6330896960528454
Energy: 0.6233954181973668
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Energy: 0.6455137953521383
Energy: 0.6668021034200019
Energy: 0.648074884682132
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Energy: 0.5926391776181195
Energy: 0.5536782596307936
Energy: 0.5752373224002157
Energy: 0.6008126058985533
Energy: 0.5935760192472125
Energy: 0.6252988133549656
Energy: 0.6484341407424906
Energy: 0.6364629621725983
Energy: 0.6273702933965801
Energy: 0.5920181205705591
Energy: 0.5662754920323139
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Energy: 0.5890519572892616
Energy: 0.59341517507985
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Energy: 0.6274642502505905
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Energy: 0.6165468848267035
Energy: 0.5715134925636511
Energy: 0.5969454606894806
Energy: 0.6463711805119412
Energy: 0.6142597396627277
Energy: 0.5932049226954739
Energy: 0.6195195608125473
Energy: 0.5832187149221721
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Energy: 0.6215819560509087
Energy: 0.6375596017443477
Energy: 0.6356018914570057
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Energy: 0.6237044562635513
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Energy: 0.578059842454847
Energy: 0.635492328479221
Energy: 0.6333657121456826
Energy: 0.6389242902163543
Energy: 0.6049828876200253
Energy: 0.6194278985654171
Energy: 0.6294681775377433
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Energy: 0.6166065356951225
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Energy: 0.5766485569049948
Energy: 0.6216176535377972
Energy: 0.5916710898264792
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Energy: 0.6110315308019124
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Energy: 0.6323611534999711
Energy: 0.6152208866875736
Energy: 0.6140968434639084
Energy: 0.6115257105022351
Energy: 0.5369815574011498
Energy: 0.5692822692123448
Energy: 0.624282838970507
Energy: 0.5857520879871828
Energy: 0.6115589483479223
Energy: 0.6357883708743116
Energy: 0.6251161190690105
Energy: 0.6417971999655283
Energy: 0.6127369978312766
Energy: 0.5664085000928557
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Energy: 0.5857274438618518
Energy: 0.6087990630303173
Energy: 0.583941590518626
Energy: 0.6134681697879281
Energy: 0.5712072700388446
Energy: 0.5785847513853559
Energy: 0.625195973302918
Energy: 0.6331003725560617
Energy: 0.5691389587204052
Energy: 0.6213201387268511
Energy: 0.6229193499372992
Energy: 0.6230950232958198
Energy: 0.6789500962224281
Energy: 0.6278833940888363
Energy: 0.6497859151549655
Energy: 0.5966900300998016
Energy: 0.6394659053602185
Energy: 0.6257938759823428
Energy: 0.6500987463268462
Energy: 0.6431675401829735
Energy: 0.6206561565602206
Energy: 0.6209527000432111
Energy: 0.6252636607448085
Energy: 0.6191491384338041
Energy: 0.6312421516666927
Energy: 0.6318286802204749
Energy: 0.6245523946088448
Energy: 0.55174498380496
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Energy: 0.6484397267338678
Energy: 0.6269359219948879
Energy: 0.6077360007077004
Energy: 0.6406337808876458
Energy: 0.6153881216750342
Energy: 0.6442550098884369
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Energy: 0.5666540884342562
Energy: 0.6242610237589912
Energy: 0.5865906783492542
Energy: 0.5583068418322114
Energy: 0.5886132883971718
Energy: 0.6158679835095119
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Energy: 0.6429875287277901
Energy: 0.6246388100009052
Energy: 0.5862400772491764
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Energy: 0.5751285395947541
Energy: 0.6098905485298687
Energy: 0.6000938874175161
Energy: 0.6249975470688599
Energy: 0.6093896552377057
Energy: 0.569102144659747
Energy: 0.6436258037212458
Energy: 0.635760102021134
Energy: 0.5578014383894888
Energy: 0.6072464395493287
Energy: 0.5988158410051884
Energy: 0.6148113364396741
Energy: 0.6016689508122921
Energy: 0.6145325355544172
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Energy: 0.6162629887900973
Energy: 0.6375071955575913
Energy: 0.6503036478038087
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Energy: 0.6421162434955546
Energy: 0.6879369617994252
Energy: 0.6491830453312649
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Energy: 0.6443230058718017
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Energy: 0.6272405097349224
Energy: 0.6595885782056403
Energy: 0.6477306145407057
Energy: 0.6555056642194007
Energy: 0.6061088348842848
Energy: 0.6473553980327827
Energy: 0.6200201487661319
Energy: 0.6217102699058812
Energy: 0.6431301122797523
Energy: 0.6226217923096784
Energy: 0.6317601186669073
Energy: 0.57688340722774
Energy: 0.6485775520753204
Energy: 0.6337955778024212
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Energy: 0.649634300521864
Energy: 0.640678188480277
Energy: 0.6280215337097543
Energy: 0.6169927038667424
Energy: 0.6162898786731109
Energy: 0.5599702112421081
Energy: 0.5471358539580052
Energy: 0.5732241323809567
Energy: 0.5968873723203353
Energy: 0.5912979660438455
Energy: 0.6270264496491469
Energy: 0.5745052519891735
Energy: 0.6259634110443221
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Energy: 0.6034207121831658
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Energy: 0.6351273181429979
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Energy: 0.6269782063896464
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Energy: 0.6063553426361578
Energy: 0.590070423410211
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Energy: 0.6328793457377548
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Energy: 0.5981035584952589
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Energy: 0.628708225701298
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Energy: 0.6450967888362644
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Energy: 0.5722084326788921
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Energy: 0.5840756965340432
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Energy: 0.6091636302682634
Energy: 0.6330131641286144
Energy: 0.6333926056683856
Energy: 0.5793527117689953
Energy: 0.6372011143154918
Energy: 0.5964398413280994
Energy: 0.5674574501352468
Energy: 0.5657196136403104
Energy: 0.5936660003460258
Energy: 0.5957912221330282
Energy: 0.5752868306229281
Energy: 0.6409612326568627
Energy: 0.6050630779124013
Energy: 0.6269924533844672
Energy: 0.6319281832418593
Energy: 0.6495063960977938
Energy: 0.6270898596085169
Energy: 0.6277121511869573
Energy: 0.6108338694404969
Energy: 0.6649546895835796
Energy: 0.6255415962329328
Energy: 0.6330024375456899
Energy: 0.572019727988962
Energy: 0.6315420619529377
Energy: 0.642500756561023
Energy: 0.6369479787764593
Energy: 0.6398611918174165
Energy: 0.6163836314108069
Energy: 0.6536725169053257
Energy: 0.6054918568744996
Energy: 0.60345633169148
Energy: 0.6022840933843236
Energy: 0.5725097309263558
Energy: 0.6178436690687844
Energy: 0.5970324620330254
Energy: 0.6691161816470647
Energy: 0.6591555166793296
Energy: 0.618914730925581
Energy: 0.6383790321862228
Energy: 0.6812843864763222
Energy: 0.58935443065074
Energy: 0.5997898068962021
Energy: 0.5568502634781444
Energy: 0.563161344445384
Energy: 0.5764407533862375
Energy: 0.6044043558603555
Energy: 0.6779120689560039
Energy: 0.6161362020395004
Energy: 0.6246968185116387
Energy: 0.6165158771565312
Energy: 0.5869235309234406
Energy: 0.5656189486666718
Energy: 0.5608511046026644
Energy: 0.5839340050222135
Energy: 0.6222558773645187
Energy: 0.6059531255913961
Energy: 0.6388738685173491
Energy: 0.5758454279392807
Energy: 0.5737440607227157
Energy: 0.6210781997585111
Energy: 0.6696599400398281
Energy: 0.5828159121591964
Energy: 0.6624231983468529
Energy: 0.660175721308407
Energy: 0.6684107064413972
Energy: 0.6128215533196234
Energy: 0.5736231901031345
Energy: 0.5774395722289497
Energy: 0.561818943497533
Energy: 0.6638376292961848
Energy: 0.6325256848127765

minimum gb energy = 0.5369815574011498 eV
minimum distance =  2.24588619462737 Angstroms
sigma value = 33


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

Energy: 0.60235182622533
Energy: 0.6497708508624127
Energy: 0.6956772457575288
Energy: 0.6009400606847024
Energy: 0.6154070126830754
Energy: 0.6254800481706024
Energy: 0.6535484683537485
Energy: 0.7211348931570853
Energy: 0.6967563792492543
Energy: 0.6102396040390965
Energy: 0.5575318344009744
Energy: 0.5972966788343037
Energy: 0.5924628670011948
Energy: 0.5441601081299453
Energy: 0.5674277032394204
Energy: 0.6337185049145847
Energy: 0.6575758041527929
Energy: 0.6571373831004985
Energy: 0.6293334484643733
Energy: 0.583496851263727
Energy: 0.5604926739042146
Energy: 0.5880685889576742
Energy: 0.6477935718850485
Energy: 0.6452609601276299
Energy: 0.6515081837869042
Energy: 0.6487181692756624
Energy: 0.6168135889873491
Energy: 0.5700080679566022
Energy: 0.6102352977229898
Energy: 0.5540150607577425
Energy: 0.5902722821754096
Energy: 0.578646307901774
Energy: 0.6147180463306207
Energy: 0.6122859684155508
Energy: 0.6804301077074844
Energy: 0.6235600943894326
Energy: 0.6530033365018318
Energy: 0.6235699872026187
Energy: 0.5620863673285637
Energy: 0.564019306464256
Energy: 0.5821442582776837
Energy: 0.6243506762422995
Energy: 0.614119554370704
Energy: 0.6196055446166763
Energy: 0.6187714751712673
Energy: 0.6725983474032275
Energy: 0.635694020144963
Energy: 0.6456863711339274
Energy: 0.5449350522663886
Energy: 0.5560388021455038
Energy: 0.6910844822243981
Energy: 0.6721771582554803
Energy: 0.678719685072965
Energy: 0.6156412229593908
Energy: 0.6569853060829755
Energy: 0.7004928886760599
Energy: 0.6269166880514249
Energy: 0.6030593831813855
Energy: 0.6111599193956477
Energy: 0.6045793902063813
Energy: 0.5843488291859333
Energy: 0.5975648928955032
Energy: 0.6415615764513286
Energy: 0.6012649689677757
Energy: 0.574569662956361
Energy: 0.6172375986300861
Energy: 0.6728891073059801
Energy: 0.6625151603170711
Energy: 0.5498190749096366
Energy: 0.616850969897456
Energy: 0.6430781806402517
Energy: 0.6489207759129562
Energy: 0.6457483391701647
Energy: 0.6176681318571865
Energy: 0.5645079091682174
Energy: 0.6181698489442495
Energy: 0.5857252549384969
Energy: 0.5936671825452798
Energy: 0.5428319830533672
Energy: 0.6674148673705794
Energy: 0.6672130552433523
Energy: 0.6236156636655932
Energy: 0.6496604255976539
Energy: 0.5494412791480207
Energy: 0.5818825543535477
Energy: 0.5808003871090003
Energy: 0.608940577674493
Energy: 0.5908903163980024
Energy: 0.5927741939767411
Energy: 0.6301612259549509
Energy: 0.6268468905374853
Energy: 0.6078017113600793
Energy: 0.5935488923302148
Energy: 0.5929172904113206
Energy: 0.5754465814046151
Energy: 0.6311889576738439
Energy: 0.703571865283834
Energy: 0.5684910635578965
Energy: 0.5708242796424159
Energy: 0.609526725566501
Energy: 0.630943310937315
Energy: 0.7269935841103958
Energy: 0.6556154202474503
Energy: 0.592905960396361
Energy: 0.5972419179502432
Energy: 0.6412126630296787
Energy: 0.6746251194352016
Energy: 0.624269775690483
Energy: 0.6383236509274428
Energy: 0.63528758004936
Energy: 0.6129608851324264
Energy: 0.6357970115322552
Energy: 0.5776456855161013
Energy: 0.5775361193115536
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Energy: 0.608437915476085
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Energy: 0.6361161362455715
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Energy: 0.7190443193954243
Energy: 0.6727447603976985
Energy: 0.5920730159149595

minimum gb energy = 0.5268718699280104 eV
minimum distance =  2.25526801689863 Angstroms
sigma value = 219


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

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Energy: 0.6021490288816527
Energy: 0.6888854405481178
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Energy: 0.6760666539065001
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Energy: 0.6319890915992183
Energy: 0.5809442387947457
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Energy: 0.6154227652093586
Energy: 0.5932650065689837
Energy: 0.6731409029071405
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Energy: 0.7524032833693584
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Energy: 0.5772712809204057
Energy: 0.6058670403573365
Energy: 0.5981973907542367
Energy: 0.5464634861738663
Energy: 0.5907497130562109

minimum gb energy = 0.5095290998187717 eV
minimum distance =  2.27534605228883 Angstroms
sigma value = 15


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

Energy: 0.6001737957429691
Energy: 0.5578170534110637
Energy: 0.6147191082221198
Energy: 0.5413234485838557
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Energy: 0.5408747371358098
Energy: 0.5518945735067625
Energy: 0.6169235947313745
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minimum gb energy = 0.47155671526668846 eV
minimum distance =  2.28535657029059 Angstroms
sigma value = 293


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

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Energy: 0.585580779384984
Energy: 0.5520973111552336
Energy: 0.6245784179219321
Energy: 0.5912874963533042
Energy: 0.4853477595228121
Energy: 0.6051978175633594
Energy: 0.5783390466092572
Energy: 0.5813149013589688
Energy: 0.5745647523714307
Energy: 0.5213859262771482
Energy: 0.5260959505489422
Energy: 0.5576106814016655
Energy: 0.545202841426564
Energy: 0.5511482181414412
Energy: 0.6238784084268206
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Energy: 0.5823537898723373
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Energy: 0.5803295994127701
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Energy: 0.5433994376345307
Energy: 0.5122122098272243
Energy: 0.5105900512969795
Energy: 0.5301584885624034
Energy: 0.49331462286959177
Energy: 0.5033341207764814
Energy: 0.5977378467137343
Energy: 0.531331059625484
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Energy: 0.5190490359666413
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Energy: 0.6116656186825579
Energy: 0.5374770032758482
Energy: 0.5239360306716339
Energy: 0.604560797148152
Energy: 0.5779193031368736
Energy: 0.6206884148816346
Energy: 0.552586000383834
Energy: 0.567375938092756
Energy: 0.5450026841172103
Energy: 0.6032813927650147
Energy: 0.5111141178094128
Energy: 0.5308656543987279
Energy: 0.5768692093244332
Energy: 0.6027245999295775
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Energy: 0.5486712076138301
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Energy: 0.4894047715653658
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Energy: 0.5705330033826495
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Energy: 0.5596534384630087
Energy: 0.5965296011477892
Energy: 0.6390782737205446
Energy: 0.5679252717992384
Energy: 0.5683821436603826
Energy: 0.5942492286111706
Energy: 0.526908228084177
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Energy: 0.557664927286578
Energy: 0.5292532530668839
Energy: 0.6373849622005063
Energy: 0.5839622852654098
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Energy: 0.5771373011975356
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Energy: 0.5934409434192475
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Energy: 0.5329778047568708
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Energy: 0.5103622830296725
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Energy: 0.5593434846315706
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Energy: 0.5156854548007027
Energy: 0.5601476649535079
Energy: 0.5735637318684158
Energy: 0.562456491890864
Energy: 0.5248101111741015
Energy: 0.5499759744417166
Energy: 0.6192230734758422
Energy: 0.5434166050534056
Energy: 0.5828954811966425
Energy: 0.5556360014144761
Energy: 0.5578151506974642
Energy: 0.5074911447796469
Energy: 0.5815179296600368
Energy: 0.5826909370781983
Energy: 0.501821445842427
Energy: 0.5498568186158006
Energy: 0.581006578480944
Energy: 0.55423181828131
Energy: 0.568482369237546
Energy: 0.4985627733083297
Energy: 0.5962839195010724
Energy: 0.5755976586610634
Energy: 0.5516797478516898
Energy: 0.5403856126047725
Energy: 0.5734563151056279
Energy: 0.5641739190001587
Energy: 0.5601273793926751
Energy: 0.5701062516123487
Energy: 0.611937899751539
Energy: 0.5369619248755029
Energy: 0.5037527146788741
Energy: 0.5846751377726043
Energy: 0.5189343408421939
Energy: 0.5779276363052144
Energy: 0.6504632682771285
Energy: 0.5999779383752104
Energy: 0.5345556764813184
Energy: 0.5807165335351603
Energy: 0.6087356610588569
Energy: 0.5142102785588356
Energy: 0.5176901329084143
Energy: 0.49679053207830426
Energy: 0.5702661544845293
Energy: 0.5212555088297808
Energy: 0.6344951721708718
Energy: 0.48988007588400706
Energy: 0.5176958769766957
Energy: 0.595938212367042
Energy: 0.5654272883372958
Energy: 0.5048905668562237
Energy: 0.5197232682762575
Energy: 0.5199434968987403
Energy: 0.5844552722654162
Energy: 0.6030508928428774
Energy: 0.5832343759761978
Energy: 0.5622387565500159
Energy: 0.5383714874886706
Energy: 0.6224060797322299
Energy: 0.5618511370416647
Energy: 0.5685269026709335
Energy: 0.5316679325153343
Energy: 0.5407944787126577
Energy: 0.5785838433844133
Energy: 0.583397396508073
Energy: 0.5655812488869103
Energy: 0.6488050615018437
Energy: 0.592050148938475
Energy: 0.5547209750509432
Energy: 0.546266026343897
Energy: 0.5490906622242793
Energy: 0.5358920742780084
Energy: 0.5192636760552874
Energy: 0.584610626706674
Energy: 0.5465632529908219
Energy: 0.5582777945216812
Energy: 0.5295413963344855

minimum gb energy = 0.4853477595228121 eV
minimum distance =  2.27579820422234 Angstroms
sigma value = 293


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

Energy: 0.6900437721730605
Energy: 0.4038680287421285
Energy: 0.5076329164192857
Energy: 0.5029745889556921
Energy: 0.5697749304882647
Energy: 0.5264437923383734
Energy: 0.5101184393037466
Energy: 0.396479230550465
Energy: 0.5071330224136178
Energy: 0.4432404983800241
Energy: 0.42192648644355635
Energy: 0.47980966596469526
Energy: 0.5703300551687192
Energy: 0.4058904222391554
Energy: 0.5236639309974993
Energy: 0.5177223096184126
Energy: 0.39784938858078805
Energy: 0.4024663142741403
Energy: 0.40206745428799706
Energy: 0.3974469046876366
Energy: 0.4282958021499221
Energy: 0.5001784468119415
Energy: 0.5205458572350323
Energy: 0.5076519818070004
Energy: 0.5232560222907923
Energy: 0.42913889841667757
Energy: 0.48231536133963276
Energy: 0.4703270822751204
Energy: 0.39688986129463655
Energy: 0.42717155498972825
Energy: 0.4281851603805578
Energy: 0.3953040685443207
Energy: 0.49800122705342303
Energy: 0.4265607826051072
Energy: 0.6451221205633818
Energy: 0.3917804410641069
Energy: 0.5131187873661034
Energy: 0.5168775607302529
Energy: 0.3772380663869327
Energy: 0.42682220139546967
Energy: 0.506198455674744
Energy: 0.4443705644513145
Energy: 0.6590557914808864
Energy: 0.5194999069834556
Energy: 0.5199189828295865
Energy: 0.44180816350729263
Energy: 0.5716603343994515
Energy: 0.48050949125084996
Energy: 0.4701331264380964
Energy: 0.39214537711478115
Energy: 0.391938178378692
Energy: 0.42377232286700484
Energy: 0.47286292733764734
Energy: 0.5129838394009386
Energy: 0.569945951609596
Energy: 0.48674535795127044
Energy: 0.4239979855319932
Energy: 0.49692478266173634
Energy: 0.4866228721407558
Energy: 0.4034597798489202
Energy: 0.3975024051913894
Energy: 0.42540985339032095
Energy: 0.43367609789601735
Energy: 0.4811927532311779
Energy: 0.5206319905312532
Energy: 0.4301380066398863
Energy: 0.522835208720463
Energy: 0.43177631153076756
Energy: 0.49424598669825587
Energy: 0.4697501315353592
Energy: 0.3771221724483963
Energy: 0.42268463429090497
Energy: 0.4241733626984544
Energy: 0.6597478281860184
Energy: 0.4443334407837531
Energy: 0.5747784874460433
Energy: 0.40072870073879024
Energy: 0.524785504951769
Energy: 0.5961793455413099
Energy: 0.5147587578004866
Energy: 0.47128074350006016
Energy: 0.40354782258187755
Energy: 0.4187982396129657
Energy: 0.5486975843154205
Energy: 0.5443498647674914
Energy: 0.5205196150886039
Energy: 0.5713579936408146
Energy: 0.5883199504623917
Energy: 0.5172792639047777
Energy: 0.5517123448389011
Energy: 0.4852984787398162
Energy: 0.3973599012902755
Energy: 0.4778855986483247
Energy: 0.487807675890948
Energy: 0.5906631166307063
Energy: 0.5128509688620321
Energy: 0.5215532512292421
Energy: 0.4265572806081322
Energy: 0.42898217604816047
Energy: 0.4027555132295538
Energy: 0.5102084543944456
Energy: 0.5489391354570266
Energy: 0.34992243099108294
Energy: 0.4278929680383328
Energy: 0.3921143196939156
Energy: 0.4973505474412947
Energy: 0.5744559436187942
Energy: 0.4918567261123045
Energy: 0.42494606658425443
Energy: 0.4981347396314329
Energy: 0.5900496330491686
Energy: 0.5158698577929741
Energy: 0.39645805665480865
Energy: 0.5071511643459564
Energy: 0.44486264820450117
Energy: 0.6913623960445653
Energy: 0.40289517658571034
Energy: 0.5070687596264783
Energy: 0.39742767826990943
Energy: 0.570614910994452
Energy: 0.5234811249636326
Energy: 0.3973811115169897
Energy: 0.4842800514045563
Energy: 0.4021497071543488
Energy: 0.3970169962102057
Energy: 0.4753278728490153
Energy: 0.477674871653143
Energy: 0.572071063257096
Energy: 0.4062583929408957
Energy: 0.5259409829968706
Energy: 0.4314498088549512
Energy: 0.4033509348119221
Energy: 0.47058491561315685
Energy: 0.3959362455554784
Energy: 0.4272872116851444
Energy: 0.42676878051695033
Energy: 0.49761392537466176
Energy: 0.5212571655513023
Energy: 0.5076853299529038
Energy: 0.5239076421968586
Energy: 0.3941173610598789
Energy: 0.5189443261528364
Energy: 0.5155509529745992
Energy: 0.3457360728458374
Energy: 0.4273332739311971
Energy: 0.4245950070697274
Energy: 0.41381882829890243
Energy: 0.43456892449634027
Energy: 0.4266437379101686
Energy: 0.49724524517725655
Energy: 0.5320871438839043
Energy: 0.5729458242730405
Energy: 0.5174181049346765
Energy: 0.3987431489657975
Energy: 0.39606611797292834
Energy: 0.5093551082609785
Energy: 0.44617528923147237
Energy: 0.6589182798950998
Energy: 0.5200843490981047
Energy: 0.5229587359798895
Energy: 0.5435710454482922
Energy: 0.4239847271219714
Energy: 0.4278418811990246
Energy: 0.39737708381501613
Energy: 0.4034270576148581
Energy: 0.509569466307227
Energy: 0.42343743250985805
Energy: 0.49163080891812944
Energy: 0.5122043007165586
Energy: 0.5694084142811272
Energy: 0.4282463848245408
Energy: 0.5230198313121597
Energy: 0.4300090488560561
Energy: 0.49658053134099994
Energy: 0.46937296194269695
Energy: 0.3979000208989065
Energy: 0.4256914782996277
Energy: 0.42495785773633615
Energy: 0.3926984475903663
Energy: 0.521448317433588
Energy: 0.5749763438640136
Energy: 0.4004433704755733
Energy: 0.5246706878192157
Energy: 0.5807893700165085
Energy: 0.5160180974680264
Energy: 0.5110857773541203
Energy: 0.42479239429733856
Energy: 0.420142118184529
Energy: 0.6888287448496521
Energy: 0.44500240630919874
Energy: 0.5200246674332448
Energy: 0.5703503662328451
Energy: 0.4077524371755763
Energy: 0.5192008508772046
Energy: 0.5101395338207875
Energy: 0.47115323486478494
Energy: 0.4030341525326945
Energy: 0.5508127848787132
Energy: 0.5490589107464987
Energy: 0.5067717978581819
Energy: 0.5135415277662514
Energy: 0.5225122473646853
Energy: 0.4011291032308596
Energy: 0.42078086025636624
Energy: 0.40281851312654443
Energy: 0.5129341614301594
Energy: 0.396187688573846
Energy: 0.4223661895303274
Energy: 0.4290043604254484
Energy: 0.5851536783265912
Energy: 0.548879766298249
Energy: 0.5739001425815972
Energy: 0.42420081101216994
Energy: 0.4281026100142231
Energy: 0.49601700678816135
Energy: 0.39239672744476817
Energy: 0.4705015911266658
Energy: 0.42571440050154064
Energy: 0.4297894482384654
Energy: 0.39250204902158864

minimum gb energy = 0.3457360728458374 eV
minimum distance =  2.2924157236419 Angstroms
sigma value = 15


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

Energy: 0.7708929215259571
Energy: 0.6540839372729458
Energy: 0.6294022441842606
Energy: 0.624676329926415
Energy: 0.5570903038303937
Energy: 0.5984073570600661
Energy: 0.5515187075535456
Energy: 0.606066487362008
Energy: 0.6969786408158344
Energy: 0.5722067891455537
Energy: 0.5246700121417363
Energy: 0.5771865245588897
Energy: 0.585175801791815
Energy: 0.5906126634436649
Energy: 0.6310111256731318
Energy: 0.5639688126824497
Energy: 0.5707442930572408
Energy: 0.578381517888216
Energy: 0.6338721186454295
Energy: 0.5670896766088472
Energy: 0.5805506390110114
Energy: 0.6786040595219999
Energy: 0.5351355655772206
Energy: 0.5601381732865558
Energy: 0.6228176533490113
Energy: 0.5679376856492901
Energy: 0.5668428146327013
Energy: 0.5918038348598103
Energy: 0.6426633151545095
Energy: 0.5599510875459095
Energy: 0.5766264470406584
Energy: 0.5759991102458627
Energy: 0.5251633763465162
Energy: 0.6252260105909702
Energy: 0.5922561345806758
Energy: 0.5670233819416579
Energy: 0.562756907601394
Energy: 0.5584246736010334
Energy: 0.6137536555047419
Energy: 0.5757908886409057
Energy: 0.6067204094195958
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Energy: 0.5646455541029735
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Energy: 0.6010015386107902
Energy: 0.5513141672675106
Energy: 0.5738452621030232
Energy: 0.5850128600397375
Energy: 0.5995123140688688
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Energy: 0.5265735616533715
Energy: 0.6003594848328266
Energy: 0.5748807262479035
Energy: 0.5611375189082972
Energy: 0.564343451708079
Energy: 0.5636576544660377
Energy: 0.5924685168702989
Energy: 0.5710994336735149
Energy: 0.582043784091819
Energy: 0.6001944533230116
Energy: 0.5280878576031413
Energy: 0.5835721986259752
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Energy: 0.557779285855956
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Energy: 0.5563393886726847
Energy: 0.5952957747372191
Energy: 0.6646102892502789
Energy: 0.6212209184375904
Energy: 0.5826712767241331
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Energy: 0.5490554490041827
Energy: 0.5788808486322077
Energy: 0.6161607855832023
Energy: 0.5293315441820174
Energy: 0.5914167966413629
Energy: 0.622595679852896
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Energy: 0.5475011400267605
Energy: 0.5631105568428207
Energy: 0.5631946361715204
Energy: 0.5792553765953607
Energy: 0.6177201057353728
Energy: 0.526716960705878
Energy: 0.5694769374652231
Energy: 0.6776011083354861
Energy: 0.5299661597626668
Energy: 0.5582305427159211
Energy: 0.6005125344848693
Energy: 0.5704317794439188
Energy: 0.5899340042106549
Energy: 0.5532489713164798
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Energy: 0.5605203393346574
Energy: 0.6194864064710561
Energy: 0.5482581925052401
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Energy: 0.611418503049745
Energy: 0.6464834573549513
Energy: 0.5762501164151538
Energy: 0.574293231223112
Energy: 0.5524111178420983
Energy: 0.5752868001138155
Energy: 0.6590249169073543
Energy: 0.6157954956834857
Energy: 0.5059613311627486
Energy: 0.7359045508544387
Energy: 0.5495517247971148
Energy: 0.5733429448658304
Energy: 0.6720645496718476
Energy: 0.5496250133015115
Energy: 0.5671302932906501
Energy: 0.5701937891149159
Energy: 0.5891811233188874
Energy: 0.6242673227496927
Energy: 0.5252921922792911
Energy: 0.5909538275637741
Energy: 0.5947690483507914
Energy: 0.5596549158738463
Energy: 0.6039927269333174
Energy: 0.5924015013561367
Energy: 0.5656754293418778
Energy: 0.5613340544464152
Energy: 0.6318350566956258
Energy: 0.6420866884292338
Energy: 0.5866071391446588
Energy: 0.5772313360884411
Energy: 0.6154543521385677
Energy: 0.565571670703076
Energy: 0.6275959920285041
Energy: 0.5772224417654565
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Energy: 0.5650909209080078
Energy: 0.6073252775973521
Energy: 0.5603890433119983
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Energy: 0.657882994482287
Energy: 0.6199309812920811
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Energy: 0.668637164562846
Energy: 0.6334470048908735
Energy: 0.5435841793801566
Energy: 0.5842016006016892
Energy: 0.5706354877903362
Energy: 0.5658199056448892
Energy: 0.6027574015822095
Energy: 0.6440601822448045
Energy: 0.564768439023166
Energy: 0.6285034957385643
Energy: 0.5727425484458384
Energy: 0.5694329632414996
Energy: 0.5800720695069945
Energy: 0.5661357387219693
Energy: 0.5784380811341497
Energy: 0.5785647236621655
Energy: 0.5772089621275652
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Energy: 0.6793774378566847
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Energy: 0.5094718559437361
Energy: 0.6452612585184667
Energy: 0.6191167576286836
Energy: 0.5677753381507993
Energy: 0.5689661952589112
Energy: 0.6299697191692855
Energy: 0.6363286609735915
Energy: 0.5473805875765353
Energy: 0.5540878611076725
Energy: 0.5935569559328183
Energy: 0.6469733900894158
Energy: 0.5931511280862806
Energy: 0.5785957321659086
Energy: 0.5720119204166032
Energy: 0.5726388170293647
Energy: 0.5596911484089988
Energy: 0.648438519947767
Energy: 0.6242899899413843
Energy: 0.6419462929475578
Energy: 0.6274911122594677
Energy: 0.5417535840795156
Energy: 0.6123254420511219
Energy: 0.6775629867532114
Energy: 0.5754703834742411
Energy: 0.5821609764029881
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Energy: 0.5823466135675062
Energy: 0.5993847178231123
Energy: 0.5075637934377409
Energy: 0.6319345803334995
Energy: 0.5817993072308135
Energy: 0.571942381174814
Energy: 0.6094310381728066
Energy: 0.5707901572639784
Energy: 0.6768603384134105
Energy: 0.6091214391063373
Energy: 0.5553510677738726
Energy: 0.6417669243600951
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Energy: 0.5997706918888832
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Energy: 0.6175739662979006
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Energy: 0.5963468761081376
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Energy: 0.6551549523071896
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Energy: 0.6330665277311088
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Energy: 0.5853288873788419
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Energy: 0.6106477012308488
Energy: 0.6361976866234483
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Energy: 0.570099485577176
Energy: 0.6126963715999745
Energy: 0.5453878544525557
Energy: 0.6058220755925967
Energy: 0.6086661079650771
Energy: 0.5559632903224633
Energy: 0.5798641593028182
Energy: 0.5596992508949806
Energy: 0.6447136910764671
Energy: 0.620802442250839
Energy: 0.6203792568943051
Energy: 0.5067934200428831
Energy: 0.5846644513038586
Energy: 0.5764003495917531
Energy: 0.5993347132376062
Energy: 0.5560370113841291
Energy: 0.5615642650936192
Energy: 0.5716799384539764
Energy: 0.5803917004347309
Energy: 0.5941581129571503
Energy: 0.5081442777146725
Energy: 0.6226822237651676
Energy: 0.631937275044184
Energy: 0.5696049375290346
Energy: 0.5670865490704735
Energy: 0.571652584190698
Energy: 0.6778949771112234
Energy: 0.5680845165281058
Energy: 0.5466145371562278
Energy: 0.6635276650580882
Energy: 0.5140929836896051
Energy: 0.5676669889698196
Energy: 0.6282749032845938
Energy: 0.6107599050564143
Energy: 0.5847388010773326
Energy: 0.5703170497224026
Energy: 0.5785483818059325
Energy: 0.6053481668606706
Energy: 0.6201234057610445
Energy: 0.6040464353319063
Energy: 0.5442830375775397
Energy: 0.5844807330567047
Energy: 0.6069365370218287
Energy: 0.6089366031301605
Energy: 0.5473066146910358
Energy: 0.568649385669067
Energy: 0.6158535527945799
Energy: 0.6158655031946288
Energy: 0.5101157144024457
Energy: 0.5074882897248165
Energy: 0.5743117554537249
Energy: 0.5723914607367367
Energy: 0.5800356557165931
Energy: 0.6322474399362696
Energy: 0.6112909446294786
Energy: 0.56512282706822
Energy: 0.5759845481588722
Energy: 0.5552647554464194
Energy: 0.5156677698936389
Energy: 0.529863175069573
Energy: 0.6364498305311199
Energy: 0.6319706192421746
Energy: 0.6755177537838876
Energy: 0.6510344194882156
Energy: 0.5703972623800793
Energy: 0.5580871994384966
Energy: 0.5776753320897693
Energy: 0.5574272875277516
Energy: 0.709495854944035
Energy: 0.6232370757835378
Energy: 0.5330688143745117

minimum gb energy = 0.5047799458438167 eV
minimum distance =  2.25845583222726 Angstroms
sigma value = 437


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

Energy: 0.5943597207113539
Energy: 0.5656703713844689
Energy: 0.5993586463778979
Energy: 0.6854551349121537
Energy: 0.6498559347685089
Energy: 0.5715487146749707
Energy: 0.5905999427331845
Energy: 0.6066730377310424
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Energy: 0.6011025021435734
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Energy: 0.5745645916517275
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Energy: 0.6120801419070431
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Energy: 0.6501158546934354
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Energy: 0.5889292437247796
Energy: 0.5830173898138683
Energy: 0.5216491756358794
Energy: 0.5262174613473579
Energy: 0.6190214185397639
Energy: 0.520449075008404
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Energy: 0.5847705992167733
Energy: 0.565755514297006
Energy: 0.5387998132242046
Energy: 0.5376658795903159
Energy: 0.5702572535943569
Energy: 0.5766741467979862
Energy: 0.5184460763210381
Energy: 0.6544051390968848
Energy: 0.5893949249884997
Energy: 0.5549022422991621
Energy: 0.5707113982141141
Energy: 0.5544049950132783
Energy: 0.5784068822733165
Energy: 0.5828620924099834
Energy: 0.6257395274898575
Energy: 0.6237214388852413
Energy: 0.6124567124019533
Energy: 0.6035906080040329
Energy: 0.6212964196293438
Energy: 0.6029941967954794
Energy: 0.6153257415141696
Energy: 0.616397138704695
Energy: 0.664928776408636
Energy: 0.5894530941087497
Energy: 0.5854064109870475
Energy: 0.6294307063205803
Energy: 0.5448868896773535
Energy: 0.641556105486917
Energy: 0.6035818826617508
Energy: 0.6309224590350977
Energy: 0.7146899695999093
Energy: 0.5926552930852362
Energy: 0.5834961865411114
Energy: 0.5500511176884778
Energy: 0.6076379295826604
Energy: 0.5573612609435755
Energy: 0.6233833581985182
Energy: 0.668928934377894
Energy: 0.6760299678270293
Energy: 0.6681952891378925
Energy: 0.5999259073419322
Energy: 0.5802957702094412
Energy: 0.5960546328192352
Energy: 0.5865354082329454
Energy: 0.542647565020871
Energy: 0.5473136588777066
Energy: 0.6561927755075937
Energy: 0.613981617488124
Energy: 0.6369408309211216
Energy: 0.6061693733876554
Energy: 0.6472383955430101
Energy: 0.6141165327525712
Energy: 0.6038794433135206
Energy: 0.5996662401050649
Energy: 0.5944997563209762
Energy: 0.5989913175710474
Energy: 0.628357014278349
Energy: 0.6901611193523446
Energy: 0.5848985957474053
Energy: 0.6147282359329986
Energy: 0.6687876096883514
Energy: 0.6198091968621908
Energy: 0.5765132909006687
Energy: 0.6002392320653374
Energy: 0.6563784639915887
Energy: 0.5539379151431791
Energy: 0.5383117987653991

minimum gb energy = 0.5167337690030142 eV
minimum distance =  2.26763747168083 Angstroms
sigma value = 33