Model name: model_name=EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002
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=2.8664998710155487
cohesive_energy=4.316339468704817
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.015017721248283678
Energy: 0.015640072409732565
Energy: 0.01567215107234185
Energy: 1.6556130239541462
Energy: 0.01567215107257697
Energy: 0.01564007240996769
Energy: 0.015017721248492676
Energy: 0.015640072410411807
Energy: 0.01567215107234185
Energy: 1.6556169724368
Energy: 0.9131374129256115
Energy: 0.015683645378851408
Energy: 0.016805025560323168
Energy: 0.8938070417752272
Energy: 0.016805025559852926
Energy: 0.015683645379086536
Energy: 0.9131374129256115
Energy: 0.015683645378616287
Energy: 0.016805025560088047
Energy: 0.8938070417752272
Energy: 0.015017721248283678
Energy: 0.015640072410176686
Energy: 0.01567215107234185
Energy: 1.6556189163118409
Energy: 0.01567215107257697
Energy: 0.01564007240996769
Energy: 0.015017721248492676
Energy: 0.015640072410176686
Energy: 0.01567215107234185
Energy: 1.6556168460392606
Energy: 0.9131374129256115
Energy: 0.015683645378851408
Energy: 0.016805025560088047
Energy: 0.8938070417752272
Energy: 0.016805025560088047
Energy: 0.015683645378616287
Energy: 0.9131374129256115
Energy: 0.015683645378851408
Energy: 0.016805025560532167
Energy: 0.8938070417752272
Energy: 0.015017721248283678
Energy: 0.01564007240996769
Energy: 0.01567215107234185
Energy: 1.6556193023473293
Energy: 0.01567215107234185
Energy: 0.015640072409732565
Energy: 0.015017721248492676
Energy: 0.015640072410411807
Energy: 0.01567215107210673
Energy: 1.6556170283880542
Energy: 0.9131374129253762
Energy: 0.015683645378616287
Energy: 0.016805025560088047
Energy: 0.8938070417752272
Energy: 0.016805025560323168
Energy: 0.015683645378851408
Energy: 0.9131374129256115
Energy: 0.015683645378851408
Energy: 0.016805025560323168
Energy: 0.8938070417752272
Energy: 0.015017721248283678
Energy: 0.015640072409732565
Energy: 0.01567215107234185
Energy: 1.655615722978696
Energy: 0.01567215107210673
Energy: 0.015640072409732565
Energy: 0.015017721248492676
Energy: 0.015640072409732565
Energy: 0.01567215107210673
Energy: 1.655621710224166

minimum gb energy = 0.015017721248283678 eV
minimum distance =  2.26367853900929 Angstroms
sigma value = 3


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

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Energy: 1.5276756192438354
Energy: 1.5680684171986494
Energy: 1.575827380138813
Energy: 1.5796053523208031
Energy: 1.527718508191973
Energy: 1.7283948050138103
Energy: 1.5276756184265272
Energy: 1.5680691106363651
Energy: 1.5758273801275502
Energy: 1.6788341676736562
Energy: 1.5004680331328921
Energy: 1.6601142984166048
Energy: 1.6935908834346507
Energy: 1.5030262985796286
Energy: 1.4665163966160046
Energy: 1.6788341585065438
Energy: 1.5004678728119116
Energy: 1.660114166661843
Energy: 1.6935899237259688
Energy: 1.5624032495902938
Energy: 1.4694228713610153
Energy: 1.5140093511829342
Energy: 1.5126502332206841
Energy: 1.547896009426461
Energy: 1.4156830055324878
Energy: 1.5624032490319233
Energy: 1.4694228710075226
Energy: 1.5140093445488376
Energy: 1.5126502331897116
Energy: 1.5487540312532682
Energy: 1.5163727474296431
Energy: 1.4432691931530943
Energy: 1.5499936924314823
Energy: 1.4950107973625815
Energy: 1.4908268217655758
Energy: 1.5487540320390412
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Energy: 1.500844686312596
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Energy: 1.4451281807072915
Energy: 1.5313506099284009
Energy: 1.5008446863807348
Energy: 1.515410458626894
Energy: 1.4487436572455588
Energy: 1.3928368160454996
Energy: 1.4984027712717416
Energy: 1.5040924413264212
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Energy: 1.544305408286874
Energy: 1.39283681762667
Energy: 1.4984027747064335
Energy: 1.5040924413281107
Energy: 1.5332305553550911
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Energy: 1.5504175159586548
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Energy: 1.495326124643753
Energy: 1.6406475518557597
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Energy: 1.5810862946842092
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Energy: 1.4972336932744799
Energy: 1.6761481258225033
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Energy: 1.5878934233480728
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Energy: 1.6683221673885529
Energy: 1.6468899152952197
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Energy: 1.5143394610112724
Energy: 1.4875082228059255
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Energy: 1.4912806141811168
Energy: 1.480372643025907
Energy: 1.4443747291845046
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Energy: 1.4443829100868515
Energy: 1.5556960024899713
Energy: 1.5983615586826128
Energy: 1.5060577729675386
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Energy: 1.4579501658794964
Energy: 1.5556959970271877
Energy: 1.5983615565622187
Energy: 1.5060521918264955
Energy: 1.460040855766055
Energy: 1.6598267282871157
Energy: 1.569175410962617
Energy: 1.5486549653819235
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Energy: 1.6949216818159107
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Energy: 1.659826780676759
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Energy: 1.4959655876231386
Energy: 1.725277088115051
Energy: 1.768071755211874
Energy: 1.664696233455041
Energy: 1.498676094053413
Energy: 1.6091108296061292
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Energy: 1.6646954944374752
Energy: 1.4986760937860277
Energy: 1.5284368132356503
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Energy: 1.579993922836142
Energy: 1.4509678280048222
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Energy: 1.5284368126998054
Energy: 1.4859136702049083
Energy: 1.5799939251383253
Energy: 1.4509666541636612
Energy: 1.5682367122749266
Energy: 1.5742821765813457
Energy: 1.4423454737681474
Energy: 1.4908968915109253
Energy: 1.5531663152755124
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Energy: 1.5682367122861889
Energy: 1.5742820622134686
Energy: 1.4423445837892024
Energy: 1.4908968915030416
Energy: 1.5353593913168753
Energy: 1.5006178247000819
Energy: 1.50134383030353
Energy: 1.3857177592112278
Energy: 1.5403252244526349
Energy: 1.4905665238391375
Energy: 1.5353593913078651
Energy: 1.5006178246995185
Energy: 1.5013438302506468
Energy: 1.3857212029422137
Energy: 1.444665363950089
Energy: 1.520039758585423
Energy: 1.4991102226161441
Energy: 1.524189610760385
Energy: 1.445126349577248
Energy: 1.463212794836931
Energy: 1.444665373945158
Energy: 1.5200397584204768
Energy: 1.4991102227163302
Energy: 1.5241895875848688
Energy: 1.5772522934438862
Energy: 1.4437095362807573
Energy: 1.5153429087835562
Energy: 1.5456886188891157
Energy: 1.486821419938351
Energy: 1.4954339855052468
Energy: 1.5772522934495172
Energy: 1.443709486532712
Energy: 1.515342908885995
Energy: 1.5456886189234154
Energy: 1.5126502332004113
Energy: 1.4988586178545502
Energy: 1.4370667100369197
Energy: 1.5369455090301094
Energy: 1.4186438130091379
Energy: 1.549120141416271
Energy: 1.512650233242083
Energy: 1.498858623133292
Energy: 1.4370667972767643
Energy: 1.5369452034913813
Energy: 1.6966664652606487
Energy: 1.6768235918799244
Energy: 1.500877427653452
Energy: 1.6692655912606373
Energy: 1.4673240996978656
Energy: 1.5455933868907992
Energy: 1.6966665198342685
Energy: 1.6768235918490035
Energy: 1.5008774281769084
Energy: 1.6691366089437574
Energy: 1.5638232738047402
Energy: 1.5796054032435405
Energy: 1.5277185133625937
Energy: 1.7311499824581689
Energy: 1.5276756177690969
Energy: 1.5680687747752167
Energy: 1.5638232738942779
Energy: 1.5796053973113613
Energy: 1.5277185147613608
Energy: 1.7311233071108967
Energy: 1.6935906259001554
Energy: 1.5030266755029824
Energy: 1.4665163966362773
Energy: 1.6788341935245072
Energy: 1.5004679059154842
Energy: 1.6601149155045145
Energy: 1.6935903607819194
Energy: 1.5030265262279763
Energy: 1.4665163966193833
Energy: 1.6788342018360183
Energy: 1.512650233233073
Energy: 1.5478959979476432
Energy: 1.415683041153872
Energy: 1.5624036962844927
Energy: 1.4694228714173283
Energy: 1.5140093511069626
Energy: 1.5126502332392675
Energy: 1.5478959990081218
Energy: 1.4156830631192188
Energy: 1.5624036956810716
Energy: 1.5499936895703657
Energy: 1.4950108185123097
Energy: 1.4908268217672653
Energy: 1.5487540312031496
Energy: 1.5163727474397795
Energy: 1.4432691546097751
Energy: 1.5499936905391052
Energy: 1.4950108054117761
Energy: 1.4908268217599445
Energy: 1.5487540317283461

minimum gb energy = 1.3857177592112278 eV
minimum distance =  2.22518690592069 Angstroms
sigma value = 75


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

Energy: 1.8162611298182028
Energy: 1.7365469661135458
Energy: 1.7602275676094414
Energy: 1.6412349114784575
Energy: 1.6902327735685185
Energy: 1.7713020812839149
Energy: 1.8162514635824218
Energy: 1.7365511680309114
Energy: 1.760227568353221
Energy: 1.641234911658638
Energy: 1.6657058897066794
Energy: 1.6198963818002332
Energy: 1.674354162540267
Energy: 1.6428640224130118
Energy: 1.6020083950819342
Energy: 1.578354821615281
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Energy: 1.6743541771136212
Energy: 1.6969377380685888
Energy: 1.6014154094903263
Energy: 1.5520888712897745
Energy: 1.5522755390324285
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Energy: 1.6015689183164954
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Energy: 1.548627553851266
Energy: 1.5453880741655566
Energy: 1.5303167505487016
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Energy: 1.5479004674588714
Energy: 1.6537193380008508
Energy: 1.603494420153876
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Energy: 1.653719338010468
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Energy: 1.5967710778309967
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Energy: 1.587841040157584
Energy: 1.6345374480906325
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Energy: 1.8260967414403566
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Energy: 1.543022413595867
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Energy: 1.6842846850150643
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Energy: 1.9025179463071236
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Energy: 1.6021945087645129
Energy: 1.6032509351919417
Energy: 1.65074926580577
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minimum gb energy = 1.4873691821139425 eV
minimum distance =  2.21723681398201 Angstroms
sigma value = 105


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

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Energy: 1.7237711794990949
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Energy: 1.6509104697051171
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Energy: 1.6520264940218585
Energy: 1.5472369892482967
Energy: 1.515355915310129
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Energy: 1.5231710360638706
Energy: 1.5255777290372277
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Energy: 1.7125954631034468
Energy: 1.5399932718127682
Energy: 1.5930371888114891
Energy: 1.546851046606188
Energy: 1.5255777286211039
Energy: 1.5511338872698006
Energy: 1.7125954633826102
Energy: 1.5399932720244092
Energy: 1.7804094328917428
Energy: 1.7377621685287703
Energy: 1.5324271561180012
Energy: 1.6195435134263074
Energy: 1.624587087583355
Energy: 1.6397977423706045
Energy: 1.780402221732872
Energy: 1.7377621683664182
Energy: 1.532193661144344
Energy: 1.6195490034533737
Energy: 1.6885822093373855
Energy: 1.8164311948704097
Energy: 1.8197611030862118
Energy: 1.912843205753934
Energy: 1.700934346603741
Energy: 1.7568998207402464
Energy: 1.6885822141779636
Energy: 1.816431194640479
Energy: 1.8197604187070429
Energy: 1.9128459321746998
Energy: 1.6635243167233416
Energy: 1.6023948445837726
Energy: 1.6160969823815134
Energy: 1.6469506803605276
Energy: 1.71748595183839
Energy: 1.6913072057196399
Energy: 1.663524316675631
Energy: 1.602394844556803
Energy: 1.616096982492773
Energy: 1.6469558796252421
Energy: 1.6502326735958752
Energy: 1.5626357300551723
Energy: 1.630284768124909
Energy: 1.5443081801040957
Energy: 1.703392449076499
Energy: 1.550184756924781
Energy: 1.6502326684891255
Energy: 1.5626376197036929
Energy: 1.6302847681255292
Energy: 1.544308180428518
Energy: 1.5231662450300576
Energy: 1.6089982189328438
Energy: 1.5931759197250344
Energy: 1.5643251655140105
Energy: 1.506865910119604
Energy: 1.5314953168521768
Energy: 1.523166244978627
Energy: 1.6089982189477237
Energy: 1.5931759204823206
Energy: 1.5643251635237951
Energy: 1.7038545726786056
Energy: 1.6480090334111541
Energy: 1.6121182250153139
Energy: 1.6084000632903488
Energy: 1.655477911161692
Energy: 1.6178048244968737
Energy: 1.703854551717487
Energy: 1.6480090333088846
Energy: 1.612100454220807
Energy: 1.6084000632915885

minimum gb energy = 1.506865910119604 eV
minimum distance =  2.22119138882587 Angstroms
sigma value = 165


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

Energy: 1.619530775424334
Energy: 1.7759853354840922
Energy: 1.5434943048941334
Energy: 1.6448006618341746
Energy: 1.5422086558362798
Energy: 1.7777339159062913
Energy: 1.619530775426462
Energy: 1.7759853327300408
Energy: 1.5435003171060617
Energy: 1.6448032602361953
Energy: 1.5837200335894892
Energy: 1.557231124801115
Energy: 1.5666231390218122
Energy: 1.6182888063291343
Energy: 1.4615779319537698
Energy: 1.486192428858884
Energy: 1.5837200322874665
Energy: 1.5655971294932118
Energy: 1.5666231390239407
Energy: 1.618288807224819
Energy: 1.4630651301204685
Energy: 1.6318204358789434
Energy: 1.6078634350512269
Energy: 1.5259935057158243
Energy: 1.559517303772043
Energy: 1.5693764912397044
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Energy: 1.6378860205387547
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Energy: 1.5512508503513935
Energy: 1.473976076898069
Energy: 1.5132890890403388
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Energy: 1.5503044211114534
Energy: 1.6866162299766254
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Energy: 1.483635323390299
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Energy: 1.6167747271682562
Energy: 1.5976782042103788
Energy: 1.636830937904397
Energy: 1.5675682264381512
Energy: 1.773218112918908
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Energy: 1.5976782024732847
Energy: 1.649898136206302
Energy: 1.5675681442722842
Energy: 1.7732180964989406
Energy: 1.729053807434166
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Energy: 1.5759130460635151
Energy: 1.666819192590851
Energy: 1.5533238799538496
Energy: 1.6418455631972755
Energy: 1.7290539375589764
Energy: 1.729459309528967
Energy: 1.5759130460199304
Energy: 1.6668191926493348
Energy: 1.4707627510978494
Energy: 1.7106374022152615
Energy: 1.5622913868788249
Energy: 1.4983243070468337
Energy: 1.4605731251277392
Energy: 1.4653794128345312
Energy: 1.4707627510148404
Energy: 1.7106372942791093
Energy: 1.5622913868735038
Energy: 1.4983243122953642
Energy: 1.5320446498374158
Energy: 1.6078634350799124
Energy: 1.6323272264174298
Energy: 1.4638632640447358
Energy: 1.5693764911918147
Energy: 1.5537617759494697
Energy: 1.531974598978495
Energy: 1.60786343504697
Energy: 1.6323272264355215
Energy: 1.463863264046864
Energy: 1.6089205734167797
Energy: 1.572078731484727
Energy: 1.57895967022107
Energy: 1.6139591395012531
Energy: 1.4841513194170417
Energy: 1.4604357749424655
Energy: 1.6089181471287815
Energy: 1.5720787314857914
Energy: 1.5716604947411537
Energy: 1.6139591394991246
Energy: 1.6536815402076261
Energy: 1.542201472791345
Energy: 1.7777339110684038
Energy: 1.6195307754913313
Energy: 1.7759853344097158
Energy: 1.5435055183980568
Energy: 1.6536815776057523
Energy: 1.542201329484596
Energy: 1.777733910376952
Energy: 1.6195307754923953

minimum gb energy = 1.4547577168571566 eV
minimum distance =  2.22785861485338 Angstroms
sigma value = 41


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

Energy: 2.1853782696953505
Energy: 1.860274682774577
Energy: 1.521902198497436
Energy: 1.612478654383322
Energy: 1.5360242190774358
Energy: 1.6365552271568866
Energy: 2.1853782696965895
Energy: 1.8602746648941249
Energy: 1.5219213856159826
Energy: 1.6125606298862718
Energy: 1.6546361720242113
Energy: 1.6318257020839735
Energy: 1.5190178404083585
Energy: 1.6465473304242564
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Energy: 1.5169540835663677
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Energy: 1.539881561733613
Energy: 1.518313285257376
Energy: 1.3988631365872075
Energy: 1.5130532580235714
Energy: 1.6789193244964875
Energy: 1.5404210380109444
Energy: 1.5510740653051298
Energy: 1.5183134305835102
Energy: 1.3988631365451283
Energy: 1.5130532580198552
Energy: 1.5616645542634666
Energy: 2.017087328199137
Energy: 1.770084117210054
Energy: 1.535665753428751
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Energy: 1.5454802187379033
Energy: 1.5616559442698414
Energy: 2.017087328267229
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Energy: 1.4687078578722175
Energy: 1.7241733305132703
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Energy: 1.6411446008958657
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Energy: 1.5747032983867013
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Energy: 1.6779725756825
Energy: 1.8644197852662394
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Energy: 1.500221370817283
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Energy: 1.5007322632470919
Energy: 1.4125204278129868
Energy: 1.5148169572447556
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Energy: 1.6558457204908554
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Energy: 1.4118151252751652
Energy: 1.6041321511186963
Energy: 1.5249090906801521
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Energy: 1.6469103769499407
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Energy: 1.5163867222311556
Energy: 1.6718559582368164
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Energy: 1.5099750735937516
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Energy: 1.4903100358341557
Energy: 1.5512159559388037
Energy: 1.651315021111746
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Energy: 1.71596459283517
Energy: 1.5512159559507777
Energy: 1.6513150205351765
Energy: 2.038108795357942
Energy: 1.7842474579273953
Energy: 1.5142818020752657
Energy: 1.4808657994917822
Energy: 1.7259504916367894
Energy: 1.5381400262289013
Energy: 1.519425429971777
Energy: 1.625810945087615
Energy: 1.5142818021842361
Energy: 1.480864096160001
Energy: 1.72595048968914
Energy: 1.5378134492954965
Energy: 1.528385869805362
Energy: 1.4844585242863444
Energy: 1.4116176705845007
Energy: 1.4191668631786936
Energy: 1.5735337867343562
Energy: 1.4976575337654607
Energy: 1.5283859653316851
Energy: 1.4844585222582158
Energy: 1.4116176705927588
Energy: 1.4191668631939711
Energy: 1.618685508738314
Energy: 1.5416660471852506
Energy: 1.5391373945528004
Energy: 1.438172435975411
Energy: 1.4033207791349813
Energy: 1.5103007902353005
Energy: 1.6186855683964143
Energy: 1.5416660488708158
Energy: 1.5391327994619706
Energy: 1.4381722428186237
Energy: 1.5580657324257297
Energy: 1.5398509490923273
Energy: 1.6128970283895394
Energy: 1.6967715275445545
Energy: 1.703530506910023
Energy: 1.5808622990066548
Energy: 1.5580654684912316
Energy: 1.5398509490915013
Energy: 1.6140586136253963
Energy: 1.7142926352087522
Energy: 1.6299498070045413
Energy: 1.5336080170137814
Energy: 1.5873958286505447
Energy: 1.7782609395260496
Energy: 1.536100915886255
Energy: 1.5071750716906789
Energy: 1.6299498070094964
Energy: 1.5336080170471893
Energy: 1.587395843392221
Energy: 1.7782609408975418

minimum gb energy = 1.389994237691054 eV
minimum distance =  2.21765621132327 Angstroms
sigma value = 185


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

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Energy: 1.6467160965014347
Energy: 1.696256432912031
Energy: 1.7963387698297761
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Energy: 1.5926559144492425
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Energy: 1.4228541527559568
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Energy: 1.6369062009649014
Energy: 1.5662103057500476
Energy: 1.677960179344262
Energy: 1.7155810761555113
Energy: 1.3979531409474584
Energy: 1.4636095585416422
Energy: 1.5864705387134268
Energy: 1.5663601664593279
Energy: 1.6779602037875996
Energy: 1.71558107687669
Energy: 1.39795314098765
Energy: 1.3965721027495626
Energy: 1.6360150128076547
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Energy: 1.6050390948874225
Energy: 1.6380714801976863
Energy: 1.4235963191439314
Energy: 1.396572102751033
Energy: 1.6360150106691167
Energy: 1.6816947941392912
Energy: 1.6052716496524988
Energy: 1.8151285277030997
Energy: 1.5557789765630643
Energy: 1.4263316725718673
Energy: 1.480579664593352
Energy: 1.6783238669208047
Energy: 1.7156676528902042
Energy: 1.815128595593507
Energy: 1.5557789783218752
Energy: 1.4263316725772588
Energy: 1.4805839761628001
Energy: 1.4008600177298591
Energy: 1.4847048862786363
Energy: 1.49642140528942
Energy: 1.8310505095321525
Energy: 1.4291414342113085
Energy: 1.4502034412535652
Energy: 1.400860017739172
Energy: 1.4847048858764076
Energy: 1.4964214052904006
Energy: 1.8310505100308951
Energy: 1.6780734720415984
Energy: 1.7193178495124144
Energy: 1.4085421205349282
Energy: 1.4509606878723957
Energy: 1.451477526719575
Energy: 1.4005719306824045
Energy: 1.6780734723130486
Energy: 1.7193178495207468
Energy: 1.4085421261857412
Energy: 1.4509606840764617
Energy: 1.4556285023150923
Energy: 1.4236982284207462
Energy: 1.5383188431943033
Energy: 1.7088975473839423
Energy: 1.5948825211650455
Energy: 1.409562525099589
Energy: 1.4556285017575326
Energy: 1.4236982284535855
Energy: 1.5529335438794387
Energy: 1.708896991255991

minimum gb energy = 1.3706606419828742 eV
minimum distance =  2.2090974049069 Angstroms
sigma value = 33


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

Energy: 1.6840524848232212
Energy: 1.7087054321067383
Energy: 1.632804475761549
Energy: 1.6393538093221016
Energy: 1.6507624821560283
Energy: 1.6729985272853862
Energy: 1.6840524848253737
Energy: 1.7087054621455369
Energy: 1.6328044686404175
Energy: 1.6381039141611786
Energy: 1.7688348865776644
Energy: 1.6208643299532601
Energy: 1.6658548301918223
Energy: 1.5623409492576856
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Energy: 1.5315332582451542
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Energy: 1.5732279020143727
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Energy: 1.6555556479338192
Energy: 1.6645174480370462
Energy: 1.5601438512192898
Energy: 1.4674098133781015
Energy: 1.4970741839326736
Energy: 1.5834119864204586
Energy: 1.605816226777614
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Energy: 1.4970741598068618
Energy: 1.5636464595788808
Energy: 1.7322211422782112
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Energy: 1.493689205018446
Energy: 1.4905797412072428
Energy: 1.4537238877642156
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Energy: 1.7322211411876032
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Energy: 1.4936892050168316
Energy: 1.5152153509314341
Energy: 1.6476866422524898
Energy: 1.8118425177188777
Energy: 1.6484659225580067
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Energy: 1.6183562292509395
Energy: 1.653999035662052
Energy: 1.8129532047315151
Energy: 1.6594663868279005

minimum gb energy = 1.4493679821579863 eV
minimum distance =  2.21703024293322 Angstroms
sigma value = 219


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

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Energy: 1.5492441277289972
Energy: 1.3959581999678343
Energy: 1.5134564269818136
Energy: 1.3897623131464232
Energy: 1.6008873475026224

minimum gb energy = 1.3812847019854553 eV
minimum distance =  2.23378658907035 Angstroms
sigma value = 15


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

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minimum gb energy = 1.5865651016323328 eV
minimum distance =  2.22203698092364 Angstroms
sigma value = 293


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

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Energy: 1.699068270925317
Energy: 1.6240275185473985
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Energy: 1.6251213761429804
Energy: 1.7336903596259499
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Energy: 1.699068270932155
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Energy: 1.6239999903037374
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Energy: 1.742092258464635
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Energy: 1.623999990342352
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Energy: 1.6558486603944582
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Energy: 1.6562557485857403
Energy: 1.643343615229331
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Energy: 1.6558486600917204
Energy: 1.66393549934392
Energy: 1.7451704939143802
Energy: 1.6414797770275886
Energy: 1.632904736388966
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Energy: 1.7589809049270615
Energy: 1.770767824570654
Energy: 1.8629088664624962
Energy: 1.6414797769576361
Energy: 1.6329088384484405
Energy: 1.6257949168486503
Energy: 1.7589809049608127
Energy: 1.6435060456748571
Energy: 1.6886821055768795
Energy: 1.6938808514090524
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Energy: 1.6211310360633686
Energy: 1.6382180045427865
Energy: 1.6435060459989133
Energy: 1.6886821055809018
Energy: 1.6938808514154515
Energy: 1.6427529027994363
Energy: 1.7592536482517593
Energy: 1.6256232914687547
Energy: 1.6474072762699916
Energy: 1.648345963745116
Energy: 1.7735394082375742
Energy: 1.6675358988374114
Energy: 1.7592536482163623
Energy: 1.6256233004977978
Energy: 1.6474069640384992
Energy: 1.6483459637423006
Energy: 1.74454603973828
Energy: 1.6639063260080362
Energy: 1.68543899502715
Energy: 1.6292949505782899
Energy: 1.6472615604636565
Energy: 1.6575873243972674
Energy: 1.7445460407442004
Energy: 1.6639063260072315
Energy: 1.6854389950295632
Energy: 1.6292949505686365
Energy: 1.6243924834468604
Energy: 1.6320539999491233
Energy: 1.7420922597572772
Energy: 1.6479649080949081
Energy: 1.59480885161443
Energy: 1.8142472926853468
Energy: 1.6243924829197842
Energy: 1.6320539999495256
Energy: 1.742092256531961
Energy: 1.6479649176892033
Energy: 1.7251683887161324
Energy: 1.7524814717716972
Energy: 1.6272238756439064
Energy: 1.7317756236820372
Energy: 1.6474756637288208
Energy: 1.7066362437151292
Energy: 1.7251683887137188
Energy: 1.7524814718090687
Energy: 1.6272290708385937
Energy: 1.7317742310718656

minimum gb energy = 1.5795789335036996 eV
minimum distance =  2.2172277148283 Angstroms
sigma value = 293


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

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Energy: 1.6569419734944257
Energy: 1.4490504961774833
Energy: 1.850155793032473
Energy: 1.442371316998555
Energy: 1.502433070428039
Energy: 1.4628876707640952
Energy: 1.656941974251629
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Energy: 1.6758394143032649
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Energy: 1.467103186638932
Energy: 1.880430791580355
Energy: 1.5442906490688901
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Energy: 1.4757435982063651
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Energy: 1.5442906490667092
Energy: 1.881392009997227
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Energy: 1.472510634815751
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Energy: 1.8101259666568859
Energy: 1.8400386894799494
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Energy: 1.9729683693093083
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Energy: 1.4727514189380535
Energy: 1.8101259842199362
Energy: 1.8400386900860024
Energy: 1.4628876707640952
Energy: 1.6569419737218776
Energy: 1.4490504959732955
Energy: 1.820461977920813
Energy: 1.4423713176707322
Energy: 1.5024251705481764
Energy: 1.4628876707640952
Energy: 1.6569419748613168
Energy: 1.4490504959907107
Energy: 1.8204619771985062
Energy: 1.4725106348164778
Energy: 1.7196616313103557
Energy: 1.4496913336981947
Energy: 1.5779351894206302
Energy: 1.8075632104025978
Energy: 1.493953795000732
Energy: 1.472510634814297
Energy: 1.7196617244935393
Energy: 1.4496913337054647
Energy: 1.5743531898108982
Energy: 1.4470772753936607
Energy: 1.467103186608431
Energy: 1.8804307913493017
Energy: 1.5442906490623471
Energy: 1.4951104623892348
Energy: 1.4757435982056382
Energy: 1.4470772104825262
Energy: 1.4671031866069768
Energy: 1.880430791581809
Energy: 1.5442906490623471
Energy: 1.8813920099994081
Energy: 1.4680386074047125
Energy: 1.444944504734031
Energy: 1.4750052670206668
Energy: 1.5043039219389893
Energy: 1.5394117863642098
Energy: 1.8813920099965
Energy: 1.4680385663097157
Energy: 1.444932764634757
Energy: 1.4750052670170315
Energy: 1.4482405049251021
Energy: 1.9729683693608921
Energy: 1.4671650439638928
Energy: 1.4727511060739862
Energy: 1.8101259503953298
Energy: 1.8400386911440507
Energy: 1.4482405049134701
Energy: 1.9729683693993902
Energy: 1.4671650438599981
Energy: 1.4727514702123645
Energy: 1.4423713181423565
Energy: 1.5024207686535085
Energy: 1.4628876707640952
Energy: 1.656941974147701
Energy: 1.4490504961920236
Energy: 1.820461977460821
Energy: 1.4423713204989583
Energy: 1.5024176304706027
Energy: 1.4628876707640952
Energy: 1.6569419743795146
Energy: 1.807563197421957
Energy: 1.493955134317393
Energy: 1.472510634815751
Energy: 1.719661594316693
Energy: 1.4496913337083726
Energy: 1.5735534955440853
Energy: 1.807563165473637
Energy: 1.493954070661133
Energy: 1.4725106348113888
Energy: 1.719661619097096

minimum gb energy = 1.442371316998555 eV
minimum distance =  2.23748894366152 Angstroms
sigma value = 15


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

Energy: 1.9917623032071015
Energy: 1.743496198527269
Energy: 1.6106744051728745
Energy: 2.072139919735734
Energy: 1.611147064490091
Energy: 1.7036106338152015
Energy: 1.9917623032064422
Energy: 1.7434961977558279
Energy: 1.6106744051732043
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Energy: 1.574312003502688
Energy: 1.5894236493657845
Energy: 1.5973688777429846
Energy: 1.5897013044444683
Energy: 1.6186314738649217
Energy: 1.740007932403888
Energy: 1.5743120065723648
Energy: 1.5894236492903482
Energy: 1.5973688777153026
Energy: 1.5897013044382071
Energy: 1.8707141701169954
Energy: 1.6155228835099305
Energy: 1.601565452556308
Energy: 1.9553053317677767
Energy: 1.65242469251884
Energy: 1.7115482868683027
Energy: 1.8707141701146888
Energy: 1.6155243760812392
Energy: 1.6015654525582852
Energy: 1.9553053317318856
Energy: 1.5802130895778026
Energy: 1.691024494472169
Energy: 1.5922193206818906
Energy: 1.6011384175686114
Energy: 1.7695842551292376
Energy: 1.6702964774682019
Energy: 1.5802130895784614
Energy: 1.6910244944734873
Energy: 1.5922193206841977
Energy: 1.6011384175679522
Energy: 1.745433150967605
Energy: 1.6398451409727652
Energy: 2.0080564827406633
Energy: 1.582752177624933
Energy: 1.7383841070318087
Energy: 1.8841859965948948
Energy: 1.7454331493423356
Energy: 1.6398451409730948
Energy: 1.9804062433908947
Energy: 1.5827521776581872
Energy: 1.816521009722829
Energy: 1.6276250423339975
Energy: 1.5765975899841675
Energy: 1.574774121798687
Energy: 1.5913800579006692
Energy: 1.6822058216870623
Energy: 1.8165210097201927
Energy: 1.6276250424120704
Energy: 1.576597589985156
Energy: 1.5747741217993463
Energy: 1.6860866525567402
Energy: 1.6904329934072506
Energy: 1.5807960676937132
Energy: 1.5923632892979591
Energy: 1.6996212171480387
Energy: 1.6913762716348586
Energy: 1.6860857394758886
Energy: 1.6904330014041147
Energy: 1.580796067822836
Energy: 1.592363331218252
Energy: 1.6832634397929302
Energy: 1.7557978967473717
Energy: 1.6744640503100965
Energy: 1.6013582945644658
Energy: 1.5497605557720895
Energy: 1.6136399686823817
Energy: 1.683263546535792
Energy: 1.755797896756569
Energy: 1.6744640503219599
Energy: 1.601358294586186
Energy: 1.8581215099938222
Energy: 1.579364007857209
Energy: 1.5975388757299396
Energy: 1.5729307045894725
Energy: 1.5829966190116846
Energy: 1.645084683985082
Energy: 1.8581215099915154
Energy: 1.5793604278212847
Energy: 1.5975388757642124
Energy: 1.5729307045878247
Energy: 1.761966073994095
Energy: 1.75248613212078
Energy: 1.6291751284788558
Energy: 1.6194088077644035
Energy: 1.8077786911807838
Energy: 1.6290501825858352
Energy: 1.7619660811763471
Energy: 1.7526608062632636
Energy: 1.62889573734756
Energy: 1.619408807765392
Energy: 1.5647908807131699
Energy: 1.6600008728159232
Energy: 1.7520282468237287
Energy: 1.57274861938087
Energy: 1.6045733342188375
Energy: 1.6890960662998107
Energy: 1.5647908807256927
Energy: 1.6600009968895475
Energy: 1.7520282468240584
Energy: 1.5727486193871314
Energy: 1.6659771505122518
Energy: 1.7091737786947743
Energy: 1.6725641880346258
Energy: 1.8340184444270775
Energy: 1.5962961680265173
Energy: 1.6080000925977918
Energy: 1.666793185682225
Energy: 1.7091737787142176
Energy: 1.6725641879598485
Energy: 1.8340183996808535
Energy: 1.6633403693386104
Energy: 1.7308740314337072
Energy: 1.6064169418208107
Energy: 1.5779241886394915
Energy: 1.5974960409242827
Energy: 1.59535781438297
Energy: 1.6633403693428943
Energy: 1.730874031433048
Energy: 1.6064169404215216
Energy: 1.5779241886365254
Energy: 1.6326382747204622
Energy: 1.6987965414260122
Energy: 1.762878647489468
Energy: 1.6192584548372153
Energy: 1.6321189180490345
Energy: 1.6352369794913177
Energy: 1.6326382754685353
Energy: 1.6987965382265535
Energy: 1.7628786493739714
Energy: 1.6192584548718176
Energy: 1.6644412149917327
Energy: 1.6052311119361353
Energy: 1.835747977931417
Energy: 1.6656147080456987
Energy: 1.59932503785452
Energy: 1.5897473964883717
Energy: 1.6644412149801981
Energy: 1.6052311061680022
Energy: 1.835747977935701
Energy: 1.6656147080460282
Energy: 1.645835004638613
Energy: 1.9075885162007262
Energy: 1.6340904906400942
Energy: 1.5657229745916132
Energy: 1.5767545151763411
Energy: 1.5849683704985131
Energy: 1.6458350046399313
Energy: 1.9075885159115333
Energy: 1.6340904906480034
Energy: 1.5657229745883177
Energy: 1.6293002975891124
Energy: 1.793476117508515
Energy: 1.6693548245068244
Energy: 1.6603468602618991
Energy: 1.6316071262520482
Energy: 1.6097343267947313
Energy: 1.6293002975255397
Energy: 1.793476117510822
Energy: 1.6693545656839686
Energy: 1.660346860363999
Energy: 1.6233311891256383
Energy: 1.6068598759884674
Energy: 1.755827572264024
Energy: 1.732223843956883
Energy: 1.5916946870738695
Energy: 1.5870508258335714
Energy: 1.6233311891233315
Energy: 1.6068598758893333
Energy: 1.7558275724899741
Energy: 1.7322238439595192
Energy: 1.5748747146777278
Energy: 1.7222161933007714
Energy: 1.7349279116009197
Energy: 1.6709459044419932
Energy: 1.7984033171799994
Energy: 1.5891636895109813
Energy: 1.59449868657831
Energy: 1.7222161955875026
Energy: 1.7349279114375242
Energy: 1.67094605418885
Energy: 1.5825452900553056
Energy: 1.6474013644402075
Energy: 1.6871211104944617
Energy: 1.5587001082918541
Energy: 1.6892801139319122
Energy: 1.5951014372721941
Energy: 1.5825452899821761
Energy: 1.6474013645699892
Energy: 1.6871211109444437
Energy: 1.5587001082645016
Energy: 1.6281430530523673
Energy: 1.619850112515626
Energy: 1.7276058227862645
Energy: 1.86035503188909
Energy: 1.5893635644878787
Energy: 1.5899047765030845
Energy: 1.6281430530523673
Energy: 1.6198501124589737
Energy: 1.72760582284786
Energy: 1.860355031879533
Energy: 1.5717372167945203
Energy: 1.5982868736510198
Energy: 1.6007175746806517
Energy: 1.8620938688080584
Energy: 1.6385861766219407
Energy: 1.5831303440652928
Energy: 1.571737217003034
Energy: 1.598286873553174
Energy: 1.600717574613454
Energy: 1.8620932214167576
Energy: 1.5779002491977574
Energy: 1.6649051985182117
Energy: 1.709938017514652
Energy: 1.622524277525308
Energy: 1.6062748286651223
Energy: 1.565175904576426
Energy: 1.5779002492023713
Energy: 1.6649051985192005
Energy: 1.7099380175130041
Energy: 1.6225235274335874

minimum gb energy = 1.5497605557720895 eV
minimum distance =  2.2158495205751 Angstroms
sigma value = 437


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

Energy: 1.8060096029521666
Energy: 1.836344974783168
Energy: 1.6010774939218027
Energy: 1.9247758019374557
Energy: 1.5939555157439427
Energy: 1.591443501865814
Energy: 1.8060096029689747
Energy: 1.8363449500726363
Energy: 1.601077493926605
Energy: 1.918606250055205
Energy: 1.656092857451593
Energy: 1.724603025448456
Energy: 1.529173820007753
Energy: 1.6006386138721862
Energy: 1.6427200232273134
Energy: 1.617913162563564
Energy: 1.6560928574083713
Energy: 1.72460302393761
Energy: 1.5291738240975425
Energy: 1.6006386139249582
Energy: 1.5784578795641648
Energy: 1.6526213529580023
Energy: 1.8028092726252807
Energy: 1.5467814824941855
Energy: 1.64189093032316
Energy: 1.7517769001302017
Energy: 1.5784578555448519
Energy: 1.6526213529544005
Energy: 1.812023260991277
Energy: 1.5467814627735113
Energy: 1.9151702091870575
Energy: 1.7165299272427126
Energy: 1.5092850836620293
Energy: 1.5605262273554263
Energy: 1.5241673346852802
Energy: 1.6491474512429316
Energy: 1.91517020919186
Energy: 1.7165299265838558
Energy: 1.509285083354785
Energy: 1.5605262278294452
Energy: 1.5612609193798868
Energy: 1.8080200571281768
Energy: 1.5514505203384807
Energy: 1.7514229908704642
Energy: 1.603683365839183
Energy: 1.6124994013108842
Energy: 1.561259996439573
Energy: 1.8080200571233742
Energy: 1.5514505186103806
Energy: 1.7514237250822384
Energy: 1.532934930879336
Energy: 1.8562064176885076
Energy: 1.6281191469320047
Energy: 1.5677339735553624
Energy: 1.5946998666215284
Energy: 1.6076449050684092
Energy: 1.5329348236629707
Energy: 1.8562064144459598
Energy: 1.6281191468659717
Energy: 1.5677339736189397
Energy: 1.7746160576163306
Energy: 1.6120597451540102
Energy: 1.6508094118289092
Energy: 1.569759592940271
Energy: 1.5212521671554682
Energy: 1.6526324045020817
Energy: 1.7746137787191123
Energy: 1.6120597433730834
Energy: 1.650809411843316
Energy: 1.5697595929366692
Energy: 1.5862991045568693
Energy: 1.6903765742585133
Energy: 1.5616843179178355
Energy: 1.580079064821281
Energy: 1.7945877440227944
Energy: 1.6838150735960324
Energy: 1.5862990648838602
Energy: 1.690376575705782
Energy: 1.56168431481805
Energy: 1.5800790722676756
Energy: 1.6637287619006078
Energy: 1.6340332552946384
Energy: 1.825285926804924
Energy: 1.509420222397456
Energy: 1.602232480248095
Energy: 1.8429020467532067
Energy: 1.6637287359575512
Energy: 1.6340332553018417
Energy: 1.825285926144867
Energy: 1.5094017165171867
Energy: 1.7358397318810743
Energy: 1.648376250217325
Energy: 1.6194155416814324
Energy: 1.6409727012217226
Energy: 1.552456069826694
Energy: 1.7906135655914046
Energy: 1.7358397899018714
Energy: 1.6483763087565628
Energy: 1.6194155491050153
Energy: 1.6409725498248589
Energy: 1.863322792603564
Energy: 1.6319719956806618
Energy: 1.5632693310443813
Energy: 1.552651985319301
Energy: 1.6012904981792637
Energy: 1.566662932646989
Energy: 1.863322781787358
Energy: 1.6319719967378992
Energy: 1.5632695172660132
Energy: 1.5526519852869394
Energy: 1.5953073495428
Energy: 1.7182003958759122
Energy: 1.8164859308680652
Energy: 1.6274872541783658
Energy: 1.8295194366273408
Energy: 1.6925683187043563
Energy: 1.5953066029115281
Energy: 1.7182003958807144
Energy: 1.8164859308668648
Energy: 1.6274872541771652
Energy: 1.6275629869138042
Energy: 1.6622430548130485
Energy: 1.6348749329273855
Energy: 1.5407740375083072
Energy: 1.5061456908468829
Energy: 1.6418372145614797
Energy: 1.6247235969540372
Energy: 1.6622430548094467
Energy: 1.6348749348511287
Energy: 1.5407740375275165
Energy: 1.7073240111208094
Energy: 1.9269849201227387
Energy: 1.5226666443221297
Energy: 1.6615736766222686
Energy: 1.6253010724096426
Energy: 1.696363024939443
Energy: 1.7073240111256118
Energy: 1.9269850016529215
Energy: 1.522666633513128
Energy: 1.661574092525889

minimum gb energy = 1.5061456908468829 eV
minimum distance =  2.21656089556678 Angstroms
sigma value = 33