Model name: model_name=EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
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=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.59080993222044e-21, 2.27047655157408e-20, 4.0982236338749396e-20, 7.01237464815852e-20, 1.0598382412143659e-19, 1.390835116385694e-19, 4.1835235178690993e-19, 4.5545876263035e-19, 4.91534973898128e-19, 5.24107224867348e-19, 5.5240647075369e-19, 5.7694861243330195e-19, 5.985731904624e-19, 6.17512520452914e-19, 6.338659373561519e-19, 6.4777283053927195e-19, 6.59404632902112e-19, 6.689279708146079e-19, 6.76504664116794e-19, 6.82338189241188e-19, 6.866095921474319e-19, 6.894630687325859e-19, 6.91028395304004e-19, 6.914994352343999e-19, 6.91033201833906e-19, 6.89580027626868e-19, 6.870533950750499e-19, 6.8336037793368e-19, 6.78428878254228e-19, 6.725296638878401e-19, 6.66327638137626e-19, 6.606991916223839e-19, 6.56855569877418e-19, 6.55573828570218e-19, 6.512239190089079e-19, 6.36475883092938e-19, 6.030945329235479e-19, 5.40684946499346e-19, 4.36094855831826e-19, 2.72972446194384e-19, 3.15873929923002e-20, -3.1254460687755e-19, -7.893155230933679e-19, -1.4164955773558379e-18, -2.1404599177249798e-18, -2.9125808811822595e-18, -3.76485874163856e-18, -4.924113645169259e-18, -6.6881261409696e-18, -9.0583862533092e-18, -1.202949464693148e-17, -1.66571895930444e-17, -2.48302130384052e-17, -4.1945144495783395e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01621231526345193
Energy: 0.01637676001173915
Energy: 1.7795041837633725
Energy: 0.017022466944037862
Energy: 0.017290790363830005
Energy: 1.6049799540541145
Energy: 0.016518463818483663
Energy: 0.016718601955738183
Energy: 0.22663823323814833
Energy: 0.4790790911424503
Energy: 0.1849346567363816
Energy: 0.466418298964129
Energy: 0.22659003277941617
Energy: 0.1848573615360704
Energy: 0.18497448767927321
Energy: 0.22648982942532145
Energy: 0.22615835911762922
Energy: 0.18486800330862174
Energy: 0.4806421446626469
Energy: 0.2269423819131884
Energy: 0.18452324078453602
Energy: 0.1861891510229246
Energy: 0.47551528748725946
Energy: 0.22695618003295295
Energy: 0.18558225729635483
Energy: 0.18644813235586127
Energy: 0.22686438332737346
Energy: 0.18502504398667352
Energy: 0.18501744995116698
Energy: 0.22742608739220746
Energy: 0.4673367793442279
Energy: 0.186502716813797
Energy: 0.5131855963589177
Energy: 0.22660372247448918
Energy: 0.18530951433908222
Energy: 0.016638525133093805
Energy: 0.2267074844166956
Energy: 0.4875426786507422
Energy: 0.016924026954203572
Energy: 0.017032285494018643
Energy: 0.22661715700749285
Energy: 0.18497545552377082

minimum gb energy = 0.01621231526345193 eV
minimum distance =  2.45039962305126 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 2.641612331736434
Energy: 2.3666000308104214
Energy: 2.300866169943414
Energy: 1.6292544831116906
Energy: 1.548320555118843
Energy: 2.327171999653953
Energy: 1.5689399206991856
Energy: 1.4249401711028398
Energy: 1.5119779142708472
Energy: 1.503773783926139
Energy: 1.4481291525997981
Energy: 1.4988899785111818
Energy: 1.5424307319705104
Energy: 1.5539367702300286
Energy: 1.3411116807272092
Energy: 1.4217884329615134
Energy: 1.4117853490914105
Energy: 1.4026072424060427
Energy: 1.470258235027802
Energy: 1.455224050720363
Energy: 1.4002052701708356
Energy: 1.3520632562223514
Energy: 1.4341819970313259
Energy: 1.445944425140068
Energy: 1.4057436809337749
Energy: 1.4516674589133463
Energy: 1.4445670913770388
Energy: 1.4090837630770279
Energy: 1.4430993084465693
Energy: 1.4070914409866504
Energy: 1.440734278928943
Energy: 1.3861359461812066
Energy: 1.4395398708920475
Energy: 1.4414907993805413
Energy: 1.3867114256101651
Energy: 1.4366973610613232
Energy: 1.4295965879831527
Energy: 1.4071060187643352
Energy: 1.4342695806354244
Energy: 1.4296652020923883
Energy: 1.3966978153392098
Energy: 1.4475941822430527
Energy: 1.4030568855738543
Energy: 1.385556062754631
Energy: 1.3951036992003685
Energy: 1.4222522775701019
Energy: 1.428754997508017
Energy: 1.3863075906616575
Energy: 1.3978030416581302
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Energy: 1.3792886224380525
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Energy: 1.4780395430811237
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Energy: 1.4128808081213207
Energy: 1.3405786744240722
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Energy: 1.4221356877255913
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Energy: 1.542128835662829
Energy: 1.4878008930179139
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Energy: 1.5310663457415021
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Energy: 1.4925287393076088
Energy: 1.8239447165641305
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Energy: 1.5349414434807735
Energy: 1.6874105864137805
Energy: 1.7154124449330492
Energy: 1.5086738280646368
Energy: 1.570622822229499
Energy: 1.4845094959719671
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Energy: 1.5174494302579828
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Energy: 1.461791799993616
Energy: 1.4957465379193895
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Energy: 1.4987375441072697
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Energy: 1.4929911895861525
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Energy: 1.4785835551322712
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Energy: 1.449721559591343
Energy: 1.4731623266523024
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Energy: 1.541789837267334
Energy: 1.4678474602653868
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Energy: 1.5298999011747891
Energy: 1.466830792613222
Energy: 1.4920015264845792
Energy: 1.5807427872310973
Energy: 1.576401235880432
Energy: 1.4699200837597144
Energy: 1.4901375463975293
Energy: 1.3661495006232574
Energy: 1.3534219849997142
Energy: 1.413668130767419
Energy: 1.4277817223807283
Energy: 1.3876139960033378
Energy: 1.4337256087275854
Energy: 1.3990664354453939
Energy: 1.3190991506339869
Energy: 1.358154494164935
Energy: 1.4014081416890243
Energy: 1.3733311308894587
Energy: 1.3479394069659436
Energy: 1.3959839282768718
Energy: 1.3657328108822604
Energy: 1.3142408891930983
Energy: 1.3568214332873048
Energy: 1.3890093173244225
Energy: 1.3755568728532181
Energy: 1.3598039983455708
Energy: 1.392078978323205
Energy: 1.3854113247019033
Energy: 1.5190943505940824
Energy: 1.472049511782618
Energy: 1.4886253800873839
Energy: 1.405991219070616
Energy: 1.389815936724053
Energy: 1.482461178878794
Energy: 1.4924128353277666
Energy: 1.3755323017545869
Energy: 1.4890258572410897
Energy: 1.5785755855598274
Energy: 1.3945340173988625
Energy: 1.514523707016235
Energy: 1.4703778269465089
Energy: 1.3945232303359651
Energy: 1.3852002916858979
Energy: 1.4944479089776697
Energy: 1.4986297850817711
Energy: 1.401062141840698
Energy: 1.495999514791639
Energy: 1.4673279326096529
Energy: 1.3937861704592565
Energy: 1.4504485868254469
Energy: 1.4693886939951146
Energy: 1.530525060040714
Energy: 1.4715626646851834
Energy: 1.471814519919403
Energy: 1.5477317187803064
Energy: 1.4280186594964501
Energy: 1.4008607096077752
Energy: 1.6000507935741888
Energy: 1.5768089946328305
Energy: 1.4544752622314225
Energy: 1.4491991241624291
Energy: 1.5451757209127828
Energy: 1.5496663483197055

minimum gb energy = 1.2970712832219236 eV
minimum distance =  2.22956030933167 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 2.2146721560841915
Energy: 1.8619438649286328
Energy: 2.035112740647411
Energy: 2.1926749360311915
Energy: 1.7499534400394219
Energy: 2.1412076836602676
Energy: 1.885359915407778
Energy: 1.5548673918287497
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Energy: 1.7102934348102168
Energy: 1.4013502462420449
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Energy: 1.7224282130745276
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Energy: 1.3682056819827695
Energy: 1.5965802475463142
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Energy: 1.4981162028305912
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Energy: 1.51089619847526
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Energy: 1.5366882982631052
Energy: 1.743418051660425
Energy: 1.4510651004311914
Energy: 1.4267266200165287
Energy: 1.6199430254966267
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Energy: 1.4705106688260243
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Energy: 1.4650312248518957
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Energy: 1.6539014194083532
Energy: 1.5626481743265666
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Energy: 1.5718415024842354
Energy: 1.483002695050917
Energy: 1.4951138886194522
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Energy: 1.4884289843945127
Energy: 1.4635667773765348
Energy: 1.5022363261071612
Energy: 1.6081155990051244
Energy: 1.492362216299679
Energy: 1.488379852444029
Energy: 1.6370353676375697
Energy: 1.5313050022113683
Energy: 1.5992183712923613
Energy: 1.6175103460401798
Energy: 1.4948290330313683
Energy: 1.5702881414806849
Energy: 1.5683588802124664
Energy: 1.4964598813243066
Energy: 1.5684854109542419
Energy: 1.582030565040519
Energy: 1.5441902139680599
Energy: 1.4675109644522926
Energy: 1.5858747116620444
Energy: 1.5778320297741213
Energy: 1.465045087963897
Energy: 1.5513145741446146
Energy: 1.5960550699247087
Energy: 1.4888344349246763
Energy: 1.4802613460376013
Energy: 1.6092156343796022
Energy: 1.6257220723211407
Energy: 1.4601261065662399
Energy: 1.498796675859484
Energy: 1.680721245896438
Energy: 1.4586509979554607
Energy: 1.513411867923463
Energy: 1.6152736584074538
Energy: 1.4831816747871016
Energy: 1.5329498020211323
Energy: 1.5635967579856962
Energy: 1.6645578493323847
Energy: 1.672283512556048
Energy: 1.8428055186716403
Energy: 1.600267605530465
Energy: 1.753401590636123
Energy: 1.8430964381644042
Energy: 1.58288901541845
Energy: 1.7199799955348847
Energy: 1.4730298367205141
Energy: 1.5365996264075292
Energy: 1.5909487009112293
Energy: 1.5029124819738033
Energy: 1.5226758609009545
Energy: 1.5145091839855276
Energy: 1.6570929656779294
Energy: 1.5370312011777196
Energy: 1.4916344861130495
Energy: 1.635443770315232
Energy: 1.6678311535573662
Energy: 1.5069854823871822
Energy: 1.5396314171429974
Energy: 1.7456347380059982
Energy: 1.6443297676471844
Energy: 1.5087220557505168
Energy: 1.6062368443056396
Energy: 1.651209623850252
Energy: 1.5084542402631578
Energy: 1.5759773246391218
Energy: 1.6924085042807506
Energy: 1.6231334160728648
Energy: 1.5044207208647562
Energy: 1.59673705809642
Energy: 1.6331294024791838
Energy: 1.5073866197384846
Energy: 1.5767208751875228
Energy: 1.4538820345821606
Energy: 1.4359931418668885
Energy: 1.4566632205201087
Energy: 1.4749279318174033
Energy: 1.4491088901128506
Energy: 1.5259371101293018
Energy: 1.4218277854388075
Energy: 1.4743443376838232
Energy: 1.4806147773325595
Energy: 1.4273085343234069
Energy: 1.4707684594439023
Energy: 1.4581395390296632
Energy: 1.4653029052222053
Energy: 1.458919223062442
Energy: 1.4211478304309741
Energy: 1.480831543354663
Energy: 1.506766769920322
Energy: 1.4566043756189284
Energy: 1.4361710496362066
Energy: 1.5039724179364198
Energy: 1.46160872854852
Energy: 1.5244081684165305
Energy: 1.4483806674224262
Energy: 1.800335150955602
Energy: 1.4119832499265208
Energy: 1.4518080885447302
Energy: 1.6021288541323797
Energy: 1.496483955994319
Energy: 1.6764367057160856
Energy: 1.5678007948591075
Energy: 1.6772045428321691
Energy: 1.373758485649304
Energy: 1.5888912622334834
Energy: 1.8399444288228826
Energy: 1.5929409000262247
Energy: 1.50118400624066
Energy: 1.4073990361330089
Energy: 1.6794007097530166
Energy: 1.3725567892988058
Energy: 1.4555287965672805
Energy: 1.6854448094194705
Energy: 1.5589086708929936
Energy: 1.4403100274341398
Energy: 1.5048161184332858
Energy: 1.7315682445339586
Energy: 1.4245776670869752
Energy: 1.346802597869076
Energy: 1.5394233835441653
Energy: 1.4212293272469594

minimum gb energy = 1.346802597869076 eV
minimum distance =  2.22986358481243 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.6916970893452583
Energy: 1.6880445530083448
Energy: 1.9034381043815054
Energy: 1.6772932567847145
Energy: 1.6905063042999626
Energy: 1.933389624435021
Energy: 1.7958348474932975
Energy: 1.414484118871004
Energy: 1.6081372287278257
Energy: 1.4806185273674835
Energy: 1.5038395224877055
Energy: 1.5629077546767487
Energy: 1.5122397696876027
Energy: 1.4945756614019354
Energy: 1.4113050232684017
Energy: 1.4493132126139325
Energy: 1.425914584589925
Energy: 1.4231344523032723
Energy: 1.5699908901956534
Energy: 1.6534032994237338
Energy: 1.6074056468975493
Energy: 1.493299489761147
Energy: 1.5177024017512135
Energy: 1.449935827155818
Energy: 1.4842067422995733
Energy: 1.5488339599999874
Energy: 1.5782483196269659
Energy: 1.6114547064014975
Energy: 1.5373012864666378
Energy: 1.5659382522776153
Energy: 1.4497253187900072
Energy: 1.4342103810987206
Energy: 1.612004497553006
Energy: 1.5804903801950403
Energy: 1.5560889570660479
Energy: 1.6510628745708362
Energy: 1.6368876247568505
Energy: 1.65468101796154
Energy: 1.6779947274224367
Energy: 1.632173094499146
Energy: 1.6374607822095377
Energy: 1.6580128928719604
Energy: 1.5996884336912838
Energy: 1.6128025145039018
Energy: 1.6122317937616726
Energy: 1.6155004382894478
Energy: 1.5992870346954737
Energy: 1.625505788427011
Energy: 1.6199921311516043
Energy: 1.5889734261286588
Energy: 1.5874806304087357
Energy: 1.628067895738182
Energy: 1.6215603019907556
Energy: 1.598626337266855
Energy: 1.604359860745882
Energy: 1.6085413835745426
Energy: 1.5367985711744316
Energy: 1.7098705143788389
Energy: 1.7194106842022705
Energy: 1.61959266544604
Energy: 1.673801728298099
Energy: 1.6996267732159878
Energy: 1.6915453385282175
Energy: 1.5387043163661671
Energy: 1.607587527338005
Energy: 1.5953826612107291
Energy: 1.6191080290979452
Energy: 1.5911214049865023
Energy: 1.6127371212916564
Energy: 1.5971392955199069
Energy: 1.6389480435957946
Energy: 1.659437961874143
Energy: 1.6879667422085607
Energy: 1.7097300036518541
Energy: 1.617099769238573
Energy: 1.6275537671858549
Energy: 1.6846263949421239
Energy: 1.657249450971245
Energy: 1.5753961496090547
Energy: 1.6428480053288397
Energy: 1.6638994538257639
Energy: 1.6261677967134172
Energy: 1.6003737724898002
Energy: 1.6594747738584583
Energy: 1.6961495221874838
Energy: 1.7236096307936328
Energy: 1.676330839061428
Energy: 1.7283889144292968
Energy: 1.6984202406211455
Energy: 1.6750326393553456
Energy: 1.7215940680197659
Energy: 1.5711561023324097
Energy: 1.548836803324509
Energy: 1.5302745315364337
Energy: 1.5750166142791786
Energy: 1.5959240749401715
Energy: 1.557310740335052
Energy: 1.551567266982612
Energy: 1.5835769662239767
Energy: 1.5542709072095628
Energy: 1.5297293881698564
Energy: 1.5308132459277528
Energy: 1.5990603769741485
Energy: 1.5811751773627083
Energy: 1.5660532850032598
Energy: 1.5082531133288937
Energy: 1.6231000849937178
Energy: 1.5399690012707328
Energy: 1.5228719528987626
Energy: 1.539790719440335
Energy: 1.6566119265431
Energy: 1.4897552441991804
Energy: 1.5822821762746215
Energy: 1.5686360048169434
Energy: 1.5367267710362276
Energy: 1.5743887911080032
Energy: 1.6257267885249167
Energy: 1.572731734141641
Energy: 1.5562249648417819
Energy: 1.6117130221100857
Energy: 1.7454890329800063
Energy: 1.6316114816519454
Energy: 1.6276299487875885
Energy: 1.7214395382703263
Energy: 1.6645990444967325
Energy: 1.6694544356111038
Energy: 1.6159774193811696
Energy: 1.6582177063587842
Energy: 1.5810225820587092
Energy: 1.5903038291044196
Energy: 1.650295412943752
Energy: 1.5745935812313332
Energy: 1.6091293898297483
Energy: 1.5894293605303629
Energy: 1.6097692210680952
Energy: 1.651527934137524
Energy: 1.6133559480556325
Energy: 1.6881970272978535
Energy: 1.6402861183952837
Energy: 1.5429901592033415
Energy: 1.5579564437571882
Energy: 1.5303901320428808
Energy: 1.636790229155406
Energy: 1.6937520425313535
Energy: 1.70411589976572
Energy: 1.5452352221728753
Energy: 1.4069157931334184
Energy: 1.5162685084386363
Energy: 1.5928480176561086
Energy: 1.6038117972266226
Energy: 1.5951590152440625
Energy: 1.5219916798516808
Energy: 1.5065693599520833
Energy: 1.5261006007571571
Energy: 1.5035050827735719
Energy: 1.5654652333740684
Energy: 1.5093322948854828
Energy: 1.6548699279872605
Energy: 1.577174629716412
Energy: 1.539136070889004
Energy: 1.487978984408955
Energy: 1.539014494794954
Energy: 1.5309686169659902
Energy: 1.5549173516819195
Energy: 1.656152816760811
Energy: 1.5869473360445936
Energy: 1.508597324212408
Energy: 1.5276336769171635
Energy: 1.5721442220155295
Energy: 1.5805248835909458
Energy: 1.5727584344318664
Energy: 1.6727039156301005
Energy: 1.6219533707039409
Energy: 1.5378714848460167
Energy: 1.5787869979252165
Energy: 1.3914652488584716
Energy: 1.3968812116787568
Energy: 1.4123122474393854
Energy: 1.5962747196602507
Energy: 1.4658776451564914
Energy: 1.4336167678177005
Energy: 1.4624798175588143
Energy: 1.4225675119384946
Energy: 1.3957871926068686
Energy: 1.414036892995839
Energy: 1.6213181646473653
Energy: 1.5584602693733651
Energy: 1.4110040604469178
Energy: 1.5295510279874136
Energy: 1.4048594576504005
Energy: 1.46541972790165
Energy: 1.4909081269674493
Energy: 1.6295673698821627
Energy: 1.5630163919294349
Energy: 1.4980890074571473
Energy: 1.4179738733227005
Energy: 1.4856287794954912
Energy: 1.4665102090032929
Energy: 1.67414397684821
Energy: 1.6692394975330367
Energy: 1.5720284974682412
Energy: 1.487116811547825
Energy: 1.5827585846891938
Energy: 1.6082533234892389
Energy: 1.610469082488364
Energy: 1.6778776406004423
Energy: 1.654620017881862
Energy: 1.632946313056403
Energy: 1.6760407730911715
Energy: 1.690031191838041
Energy: 1.5899472427238084
Energy: 1.594602023138329
Energy: 1.6035691913406667
Energy: 1.6329295121844642
Energy: 1.586157078008295
Energy: 1.6426005195896212
Energy: 1.639789847268257
Energy: 1.5418455497190175
Energy: 1.528253132386974
Energy: 1.6232130465653258
Energy: 1.4816213223430892
Energy: 1.6264918774519048
Energy: 1.6375681763129706
Energy: 1.6614340035128314
Energy: 1.6567971343560985
Energy: 1.7740576678639248
Energy: 1.5151922094926968
Energy: 1.5651128642107135
Energy: 1.7148595208760784
Energy: 1.7082636116183523
Energy: 1.7078127432865644
Energy: 1.6827440272170593
Energy: 1.5935610978383163
Energy: 1.5705694040902172
Energy: 1.4648451236840396
Energy: 1.6649292738224113
Energy: 1.72027516822348
Energy: 1.7015783231440484
Energy: 1.6492726282139467
Energy: 1.5942874071525805
Energy: 1.5345013703399608
Energy: 1.5251920180529328
Energy: 1.5946928475818591
Energy: 1.7079819185577778
Energy: 1.5249615731136164
Energy: 1.6545579794358505
Energy: 1.6282831450301167
Energy: 1.6312895124131737
Energy: 1.5759454742571959
Energy: 1.6715343996874616
Energy: 1.718401835898524
Energy: 1.6427535787781924

minimum gb energy = 1.3914652488584716 eV
minimum distance =  2.21902563367065 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.7060193640877062
Energy: 1.6549885255636851
Energy: 1.7151044877654888
Energy: 1.6849803982775302
Energy: 1.678053535721208
Energy: 1.6089546155600052
Energy: 1.7216501354177989
Energy: 1.4068181250176737
Energy: 1.4132839048405577
Energy: 1.4509245472203827
Energy: 1.524817799021641
Energy: 1.462230566597747
Energy: 1.4060104843190535
Energy: 1.537987882975453
Energy: 1.5083273661502312
Energy: 1.38436527168748
Energy: 1.4310713484852668
Energy: 1.4883723172917374
Energy: 1.4521348312893527
Energy: 1.4104074324892348
Energy: 1.5523205788279555
Energy: 1.5335732667138908
Energy: 1.3854892138371306
Energy: 1.523045944259894
Energy: 1.5391384453490724
Energy: 1.4448922719785944
Energy: 1.3330470338969487
Energy: 1.5637276465645416
Energy: 1.563720498829196
Energy: 1.3657736959552358
Energy: 1.390780660897603
Energy: 1.5255307247621348
Energy: 1.50165134960843
Energy: 1.4181619133078176
Energy: 1.419230274381096
Energy: 1.4412167618717693
Energy: 1.4169106010851003
Energy: 1.3951195539921568
Energy: 1.432923009011563
Energy: 1.4077451194242723
Energy: 1.4240294212073115
Energy: 1.4192346224905286
Energy: 1.4562284746522631
Energy: 1.4100854882365728
Energy: 1.3767781721689276
Energy: 1.453577148387848
Energy: 1.455770273352417
Energy: 1.3816936126170924
Energy: 1.439403510970908
Energy: 1.4231736781337307
Energy: 1.4188949568950064
Energy: 1.3857252171736039
Energy: 1.44973599592642
Energy: 1.4210734669072025
Energy: 1.3887581988735564
Energy: 1.4783819272991827
Energy: 1.4932243923052135
Energy: 1.5236085241421884
Energy: 1.6576438425662317
Energy: 1.5220285325595617
Energy: 1.5209718358258684
Energy: 1.6566319010214705
Energy: 1.5353171716984877
Energy: 1.5657760468029243
Energy: 1.522617773739852
Energy: 1.613492614113035
Energy: 1.5828451525161578
Energy: 1.5291995095878257
Energy: 1.6126096155328833
Energy: 1.5477532844068254
Energy: 1.4515414281314938
Energy: 1.4348523998703897
Energy: 1.650929702152881
Energy: 1.5133508147716175
Energy: 1.4342281989487256
Energy: 1.4561603643517669
Energy: 1.5342031037901451
Energy: 1.5244561610278191
Energy: 1.4241521283253775
Energy: 1.477825336607228
Energy: 1.508696447011445
Energy: 1.4452866970385208
Energy: 1.4777990238469545
Energy: 1.5183138540199683
Energy: 1.5756135065737698
Energy: 1.4444496409580478
Energy: 1.7364642482929884
Energy: 1.7216406672343385
Energy: 1.470211529095256
Energy: 1.6912960809308613
Energy: 1.673681707604843
Energy: 1.5166105963000878
Energy: 1.51925734368417
Energy: 1.4790475769879123
Energy: 1.5138169234307255
Energy: 1.4479731565877119
Energy: 1.4685181775042369
Energy: 1.5238729762152354
Energy: 1.5291808539663871
Energy: 1.4806743716263193
Energy: 1.6589267548727455
Energy: 1.5299514448518285
Energy: 1.4687151131762157
Energy: 1.6022659813717526
Energy: 1.5274671398902038
Energy: 1.6343805926559032
Energy: 1.5631788852433595
Energy: 1.7312742889091466
Energy: 1.6789870907164943
Energy: 1.6664109773100315
Energy: 1.66583628771193
Energy: 1.7214907056413322
Energy: 1.5124473502064288
Energy: 1.415741243526804
Energy: 1.4487552142578202
Energy: 1.5269673003494366
Energy: 1.4762164205364678
Energy: 1.4038567413832101
Energy: 1.5313346462306732
Energy: 1.5051117838265384
Energy: 1.4081062567508356
Energy: 1.4385052615972425
Energy: 1.507319550597147
Energy: 1.4484227838876726
Energy: 1.407375146486734
Energy: 1.4884378294630536
Energy: 1.5395037208721971
Energy: 1.3835846675323933
Energy: 1.510844916758784
Energy: 1.5559888324974538
Energy: 1.4452032513628534
Energy: 1.3456874981616607
Energy: 1.559575611753316
Energy: 1.5527270981576502
Energy: 1.389963677258316
Energy: 1.396269019077684
Energy: 1.523859300751416
Energy: 1.4472553239313888
Energy: 1.4184592222107335
Energy: 1.4526189289281126
Energy: 1.4433297531904912
Energy: 1.4189270814097268
Energy: 1.403100966325194
Energy: 1.4491684973167727
Energy: 1.4090433536979712
Energy: 1.4260808822817765
Energy: 1.4116989716108599
Energy: 1.451754369687439
Energy: 1.429576946714275
Energy: 1.3833673364627364
Energy: 1.454109752389792
Energy: 1.451015991605884
Energy: 1.3805360319706534
Energy: 1.4390290779450918
Energy: 1.4060207483977296
Energy: 1.4042147568672623
Energy: 1.400604114400354
Energy: 1.4501258815658595
Energy: 1.4261898469602279
Energy: 1.3907094924387837
Energy: 1.5026894498169892
Energy: 1.5443858509541943
Energy: 1.529843876160338
Energy: 1.6603902364563374
Energy: 1.5239309388627569
Energy: 1.5371947536030819
Energy: 1.6702173918473475
Energy: 1.538789302881268
Energy: 1.5323267379935075
Energy: 1.5198219746458719
Energy: 1.6072300206728805
Energy: 1.54096549007407
Energy: 1.529003115103897
Energy: 1.6045194792368274
Energy: 1.5427243550940302
Energy: 1.4391426448658695
Energy: 1.446779313017132
Energy: 1.6528971607968452
Energy: 1.4582459792710085
Energy: 1.4336337429981159
Energy: 1.4312206670045313
Energy: 1.527917692916092
Energy: 1.5230702852440654
Energy: 1.4245040900457697
Energy: 1.4877518979835938
Energy: 1.5255355587351622
Energy: 1.443611268907647
Energy: 1.4967586470735517
Energy: 1.608754099839718
Energy: 1.5913122004086482
Energy: 1.446616198057644
Energy: 1.7070285905927607
Energy: 1.6852254153837993
Energy: 1.4558665530566146
Energy: 1.4133380415785999
Energy: 1.6730632723153456
Energy: 1.517148962733646
Energy: 1.4473767716631465
Energy: 1.4499006000922794
Energy: 1.477979941284916
Energy: 1.4482326635799578
Energy: 1.4619520371573649
Energy: 1.5251068487503319
Energy: 1.523108611622909
Energy: 1.5271840456134869
Energy: 1.6557653646183232
Energy: 1.528350424802652
Energy: 1.5271846802209803
Energy: 1.599312686465297
Energy: 1.5595743900370636

minimum gb energy = 1.3330470338969487 eV
minimum distance =  2.23170957532 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.8675174243399972
Energy: 1.4542612125364107
Energy: 1.3261850434247298
Energy: 1.5564576152028844
Energy: 1.455083648463673
Energy: 2.110441637521439
Energy: 1.4583131931201432
Energy: 1.4502857403035014
Energy: 1.339212891422505
Energy: 1.3572666015518533
Energy: 1.420999228949934
Energy: 1.4002583086159546
Energy: 1.3432232096193284
Energy: 1.402938951078773
Energy: 1.4200869509218639
Energy: 1.3331032080210583
Energy: 1.3656480991258435
Energy: 1.3600977801744782
Energy: 1.379713367455146
Energy: 1.3754168553333763
Energy: 1.3978781898428103
Energy: 1.4961702245407205
Energy: 1.3579287713612362
Energy: 1.3193739617553701
Energy: 1.4182698887398753
Energy: 1.439390576360376
Energy: 1.3192026844671214
Energy: 1.4121268720081814
Energy: 1.3476811150006214
Energy: 1.3121985669446026
Energy: 1.3852259980225738
Energy: 1.3378081454867927
Energy: 1.3014916727626167
Energy: 1.2863419379825936
Energy: 1.4185313511393427
Energy: 1.3019034150326876
Energy: 1.3239042038254594
Energy: 1.3244322637203614
Energy: 1.3054108522622294
Energy: 1.3295542873877495
Energy: 1.30890550888989
Energy: 1.3313034715246448
Energy: 1.30490305052599
Energy: 1.3317183857804042
Energy: 1.229552892086142
Energy: 1.3398706119402177
Energy: 1.3288259619924359
Energy: 1.299885631269917
Energy: 1.2844288405392814
Energy: 1.3033627770708243
Energy: 1.299636365813462
Energy: 1.3119557168741713
Energy: 1.3106568508166752
Energy: 1.2973017894497685
Energy: 1.340515539204881
Energy: 1.316452864296578
Energy: 1.2485245652386983
Energy: 1.2451408136436102
Energy: 1.3347448937220359
Energy: 1.262664690833304
Energy: 1.2546366462932197
Energy: 1.3345362184849217
Energy: 1.2498363588263126
Energy: 1.2028329005497334
Energy: 1.1943669887244048
Energy: 1.327239065804306
Energy: 1.2673200753474287
Energy: 1.201530197316694
Energy: 1.3192744747521024
Energy: 1.2355715109242416
Energy: 1.3145213623370973
Energy: 1.292628241693466
Energy: 1.324183092695449
Energy: 1.2696892117763368
Energy: 1.2934430147054141
Energy: 1.3291179199307235
Energy: 1.2749864539706082
Energy: 1.2735006754522125
Energy: 1.3447785515859276
Energy: 1.26497874856706
Energy: 1.2771676010602357
Energy: 1.301875420318771
Energy: 1.2940625122839517
Energy: 1.294338285623372
Energy: 1.263208298110456
Energy: 1.3567003510136855
Energy: 1.1987996560712804
Energy: 1.2815417361474606
Energy: 1.3544914741063805
Energy: 1.1952702176122312
Energy: 1.2609207754531306
Energy: 1.2548743363076895
Energy: 1.3396786889886756
Energy: 1.2210698042592731
Energy: 1.2801216020519648
Energy: 1.3240803569766355
Energy: 1.2804467958912211
Energy: 1.2878385123635814
Energy: 1.3539708012375702
Energy: 1.3075008395388685
Energy: 1.2721895953701121
Energy: 1.2831847700896566
Energy: 1.3754360915101462
Energy: 1.2739798735105485
Energy: 1.2880199754912716
Energy: 1.3570061564664633
Energy: 1.3058174665056252
Energy: 1.340389645236928
Energy: 1.361781769220031
Energy: 1.3063900829362782
Energy: 1.3309183922884074
Energy: 1.3604748990950537
Energy: 1.3313612439090226
Energy: 1.2948096253618222
Energy: 1.295005425381085
Energy: 1.3240627268332754
Energy: 1.3755495391672705
Energy: 1.3564647243028136
Energy: 1.3228127190877579
Energy: 1.3360223188066396
Energy: 1.3230480626145786
Energy: 1.3433961965319758
Energy: 1.3431337324655697
Energy: 1.3729231191990205
Energy: 1.3309919613762422
Energy: 1.324134441292389
Energy: 1.4564030142449662
Energy: 1.308975448048937
Energy: 1.351779164749266
Energy: 1.441005680043508
Energy: 1.3336232050202224
Energy: 1.3607192607729157
Energy: 1.412427374023294
Energy: 1.4043018398256368
Energy: 1.4410857771207466
Energy: 1.3917751647787049
Energy: 1.415251666496606
Energy: 1.4243926279530381
Energy: 1.3325107570691903
Energy: 1.47998713707567
Energy: 1.379398611283028
Energy: 1.339597905010418
Energy: 1.3675403082850726
Energy: 1.3978789909962983
Energy: 1.368440457159704
Energy: 1.3507987670241008
Energy: 1.3993928731640217
Energy: 1.4015180818853565
Energy: 1.3752500539376187
Energy: 1.4606286028150948
Energy: 1.5112588797560196
Energy: 1.3773895177930295
Energy: 1.4151677404838134
Energy: 1.525682890427402
Energy: 1.4698218472022002
Energy: 1.3566499295847232
Energy: 1.507664713405007
Energy: 1.5117405470948446
Energy: 1.4049809172047307
Energy: 1.3029358073974848
Energy: 1.4663429848290792
Energy: 1.398118138697848
Energy: 1.3350644149460897
Energy: 1.3665380511854264
Energy: 1.3934426978305394
Energy: 1.3676879774913508
Energy: 1.3319942556067452
Energy: 1.3958742079725912
Energy: 1.4752745471909203
Energy: 1.448675345717504
Energy: 1.3908301850716138
Energy: 1.5020015669105307
Energy: 1.5358701050844805
Energy: 1.327858913965689
Energy: 1.4614687045939132

minimum gb energy = 1.1943669887244048 eV
minimum distance =  2.23022766999162 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.9027297013029303
Energy: 1.3881118726835162
Energy: 1.2620281738056092
Energy: 1.4787996315845489
Energy: 1.3219301286217342
Energy: 1.3466511660272495
Energy: 1.3933969501024674
Energy: 1.3142180781709427
Energy: 1.1965122329195543
Energy: 1.2152015328623293
Energy: 1.2717853383240787
Energy: 1.287618145919111
Energy: 1.229408544785714
Energy: 1.2987630978433415
Energy: 1.2419357490909206
Energy: 1.1989683148832266
Energy: 1.2230377399836678
Energy: 1.2434978279814786
Energy: 1.2010301887835875
Energy: 1.2476438922322064
Energy: 1.2698105331222154
Energy: 1.341378676848544
Energy: 1.2728190856345647
Energy: 1.289219181866806
Energy: 1.3885084433140558
Energy: 1.2500328092856121
Energy: 1.3093026676248172
Energy: 1.3572753110324973
Energy: 1.141640644683443
Energy: 1.2741512594956201
Energy: 1.243254036206564
Energy: 1.262428768972709
Energy: 1.24451198404538
Energy: 1.249644271995051
Energy: 1.2587700518448903
Energy: 1.147517065782113
Energy: 1.1602041339652125
Energy: 1.1774340931900857
Energy: 1.1915747949791415
Energy: 1.1492487203122077
Energy: 1.1652472429961438
Energy: 1.2064418284860199
Energy: 1.2164041139793613
Energy: 1.3483475554645794
Energy: 1.23467353675837
Energy: 1.2051309403891746
Energy: 1.2236868738675017
Energy: 1.2205640799115853
Energy: 1.2458956924856466
Energy: 1.2390307698716763
Energy: 1.3484108964458565
Energy: 1.2039235351114328
Energy: 1.1187694442282086
Energy: 1.2012584166905764
Energy: 1.2114802462153877
Energy: 1.163483442878435
Energy: 1.1489032289712786
Energy: 1.1876715841861736
Energy: 1.200094841355349
Energy: 1.144258219375403
Energy: 1.1863738662385424
Energy: 1.1891664349019946
Energy: 1.1512237094135096
Energy: 1.083664058043265
Energy: 1.1381944390580367
Energy: 1.2059704619193032
Energy: 1.127451243152621
Energy: 1.1689021550396852
Energy: 1.1739111109988538
Energy: 1.1246665999093746
Energy: 1.2205541780568396
Energy: 1.21042258959673
Energy: 1.1948483189880565
Energy: 1.1971480784335535
Energy: 1.1675156491982877
Energy: 1.2181950058169593
Energy: 1.2137157934095293
Energy: 1.1390515492582742
Energy: 1.141410278990955
Energy: 1.123372795748112
Energy: 1.120758898051764
Energy: 1.140023166840389
Energy: 1.1170351340226723
Energy: 1.117605130034553
Energy: 1.1463591390990473
Energy: 1.1179712931344234
Energy: 1.0704932077223173
Energy: 1.0837091213297034
Energy: 1.1430868992824184
Energy: 1.065684456449636
Energy: 1.092490247423559
Energy: 1.1615840980227776
Energy: 1.2695292710658168
Energy: 1.1152197892858466
Energy: 1.1532967774000293
Energy: 1.206266927128307
Energy: 1.1098972702136285
Energy: 1.1202501445494668
Energy: 1.1275202534879165
Energy: 1.099929339439665
Energy: 1.081604864475642
Energy: 1.1044625556776981
Energy: 1.1336270712704235
Energy: 1.1152727214187725
Energy: 1.0955161791521115
Energy: 1.0800022582571471
Energy: 1.0890597359965353
Energy: 1.1319821569347979
Energy: 1.0943931360115684
Energy: 1.0808375201187774
Energy: 1.1042920110812577
Energy: 1.123508814943934
Energy: 1.0995434332639316
Energy: 1.0971786131429917
Energy: 1.1033820291168401
Energy: 1.1064496076655954
Energy: 1.183754138640485
Energy: 1.1115328894361103
Energy: 1.1158920569082809
Energy: 1.0829966509252325
Energy: 1.0922788227719593
Energy: 1.1282274095175806
Energy: 1.0933313606490114
Energy: 1.074564644070654
Energy: 1.1038694053216271
Energy: 1.1097651693626107
Energy: 1.1333926857287533
Energy: 1.1279345615061336
Energy: 1.1316611148973215
Energy: 1.0992135581598506
Energy: 1.1288628991074585
Energy: 1.1398999252988133
Energy: 1.1104571697199679
Energy: 1.0545388513261884
Energy: 1.0560274424137404
Energy: 1.1335762348985368
Energy: 1.0937347755463527
Energy: 1.0376064100983957
Energy: 1.1251680367166506
Energy: 1.101078230586544
Energy: 1.095388092298017
Energy: 1.0940789956023997
Energy: 1.110732745724088
Energy: 1.0867401582411658
Energy: 1.0942631423012028
Energy: 1.1025306614188943
Energy: 1.0941221933308363
Energy: 1.1067188856994798
Energy: 1.1160289718546579
Energy: 1.0851838358941306
Energy: 1.0941359407517433
Energy: 1.1145861496059248
Energy: 1.0946651924830333
Energy: 1.0912426910733006
Energy: 1.0937805138214352
Energy: 1.1040707106076972
Energy: 1.0387816235638565
Energy: 1.089692308548989
Energy: 1.1220214511360025
Energy: 1.047638733253525
Energy: 1.0996940869683287
Energy: 1.1175937899964494
Energy: 1.120494126269816
Energy: 1.0958333415409005
Energy: 1.1123720063333018
Energy: 1.1318026471200715
Energy: 1.1216928244578346
Energy: 1.089852288170816
Energy: 1.1593886990320785
Energy: 1.098672119907312
Energy: 1.1039407227598799
Energy: 1.114274782199911
Energy: 1.1140275520266727
Energy: 1.1102555838417665
Energy: 1.1039889314028
Energy: 1.105353998461959
Energy: 1.0955978651215088
Energy: 1.113495446153864
Energy: 1.1006845361309299
Energy: 1.0878066150545755
Energy: 1.1084132035123861
Energy: 1.116347419419761
Energy: 1.1086627586346196
Energy: 1.1041278221942545
Energy: 1.0967821026696627
Energy: 1.0841787050514773
Energy: 1.1512686675305044
Energy: 1.1044482646795004
Energy: 1.119398486133925
Energy: 1.084067457561568
Energy: 1.1005456070250859
Energy: 1.1445436200392949
Energy: 1.1090532403507405
Energy: 1.0868777355179537
Energy: 1.1118990611345818
Energy: 1.1255111388392758
Energy: 1.1233179980224695
Energy: 1.1643224528076705
Energy: 1.2404639080438333
Energy: 1.1389983018614147
Energy: 1.144169865555607
Energy: 1.204970870808094
Energy: 1.1606777225960059
Energy: 1.073094832888181
Energy: 1.074640423356612
Energy: 1.1538795409361493
Energy: 1.093615393807807
Energy: 1.1050640582349849
Energy: 1.1475191198327042
Energy: 1.1419025088893018
Energy: 1.1191450344088534
Energy: 1.114649740405081
Energy: 1.1461344737565615
Energy: 1.1162707836546446
Energy: 1.1152211005816184
Energy: 1.1347347809213695
Energy: 1.1205695310198427
Energy: 1.216602714015799
Energy: 1.1960491790813188
Energy: 1.1627843453583837
Energy: 1.1990733422012874
Energy: 1.182264505642467
Energy: 1.1993130131154675
Energy: 1.163221549082625
Energy: 1.1749189009918917
Energy: 1.159074934205626
Energy: 1.1447523730484366
Energy: 1.1296274269263444
Energy: 1.18736535824623
Energy: 1.1355563154890866
Energy: 1.153531542960537
Energy: 1.1795012933167424
Energy: 1.191167208828311
Energy: 1.138037662647533
Energy: 1.1510491268757381
Energy: 1.1864764912602392
Energy: 1.1740567454449438
Energy: 1.1540193686891995
Energy: 1.2193271987170164
Energy: 1.2786448085728366
Energy: 1.186055852077903
Energy: 1.2213312975894783
Energy: 1.1924057416921514
Energy: 1.2355984546298193
Energy: 1.219215185468989
Energy: 1.1515741873973397
Energy: 1.2203316583691122
Energy: 1.2501144393024088
Energy: 1.1445485759426124
Energy: 1.205767944220406
Energy: 1.2364919654631228
Energy: 1.218903551127845
Energy: 1.1836312142646674
Energy: 1.1704920696977552
Energy: 1.1448782939882218
Energy: 1.190424256985104
Energy: 1.172384711946115
Energy: 1.1602719935508516
Energy: 1.1785019292826324
Energy: 1.295665785428983
Energy: 1.2286524930729095
Energy: 1.2293229661395337
Energy: 1.2661926786148632
Energy: 1.2433911465879557
Energy: 1.2521679370943175
Energy: 1.214098124622032
Energy: 1.3028972326225259
Energy: 1.3693005610146132
Energy: 1.3394815119704424
Energy: 1.2900131158606394
Energy: 1.2894115911628805
Energy: 1.2700686231308151
Energy: 1.3906033232444612
Energy: 1.2352637295865114
Energy: 1.2049921455825294
Energy: 1.2338008357598802
Energy: 1.2465446087455594
Energy: 1.2168235762461888
Energy: 1.1761592722230203
Energy: 1.240555337130524
Energy: 1.254233580983665
Energy: 1.224641987120633
Energy: 1.3428192734914222
Energy: 1.2908133726537732
Energy: 1.216851668274042
Energy: 1.238481980380792
Energy: 1.3268269176680514
Energy: 1.1505600413009476
Energy: 1.255761600375842
Energy: 1.3482277798677207
Energy: 1.4060533697262065
Energy: 1.2540654599690204
Energy: 1.3063073339763378
Energy: 1.4107500593258373
Energy: 1.2857829714968323
Energy: 1.202350041344626
Energy: 1.2742072392425385
Energy: 1.274662983642607
Energy: 1.2445766796167024
Energy: 1.2602033145109115
Energy: 1.2710407745556134
Energy: 1.2753798295808052
Energy: 1.2423839596959718
Energy: 1.2640769886329641
Energy: 1.2707651230911634
Energy: 1.285864506047183
Energy: 1.2189750838635949
Energy: 1.2839388209021816
Energy: 1.391239182603961
Energy: 1.3253740005812624
Energy: 1.2259900955757792
Energy: 1.3350918848921598
Energy: 1.383686725754982
Energy: 1.2671050702778015
Energy: 1.2171046376687369

minimum gb energy = 1.0376064100983957 eV
minimum distance =  2.22681891907582 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.5300918756561173
Energy: 1.2832763071870166
Energy: 1.2847744351806172
Energy: 1.243822676908575
Energy: 1.243428708066867
Energy: 1.2526534525506057
Energy: 1.2790349486290413
Energy: 1.4386998558422985
Energy: 0.4889930955004408
Energy: 0.5313114351138628
Energy: 0.5185965460162885
Energy: 0.49110326306880936
Energy: 0.48854581655196033
Energy: 0.545963403680873
Energy: 0.4864800929004954
Energy: 0.4981881096465157
Energy: 0.5082059400311207
Energy: 0.4951319633057162
Energy: 0.49949979137069495
Energy: 0.506885529011858
Energy: 0.5014501473987919
Energy: 1.3799942446313314
Energy: 1.4482839816541209
Energy: 1.265499341039354
Energy: 1.2574423868958806
Energy: 1.2741155906953237
Energy: 1.2702583540319015
Energy: 1.2627499903784103
Energy: 1.4347056659525688
Energy: 1.5629175900712917
Energy: 1.469975389138701
Energy: 1.5438408873813976
Energy: 1.2765677179492825
Energy: 1.5450551645133332
Energy: 1.543851385568563
Energy: 0.4839408077212393
Energy: 0.5236897024198675
Energy: 0.5984257692135909
Energy: 0.6131320547907607
Energy: 0.5054974307453904
Energy: 0.5024108872467956
Energy: 0.5196453302572777
Energy: 1.536847993699336
Energy: 1.385068309069865
Energy: 1.2890834938336397
Energy: 1.278607969594637
Energy: 1.272980789707607
Energy: 1.3058777671990884
Energy: 1.4112250128397184
Energy: 1.3962773365509231
Energy: 1.4202963653479246
Energy: 1.267265609019797
Energy: 1.2653785800091943
Energy: 1.2948726944523707
Energy: 1.2616717924956287
Energy: 1.5711659888578282
Energy: 0.4887040569493785
Energy: 0.5047917428048107
Energy: 0.5623141411294683
Energy: 0.49855047750275255
Energy: 0.498156727645661
Energy: 0.5393621646509756
Energy: 0.4981522961541043
Energy: 1.4110249754310296
Energy: 1.5592641115741055
Energy: 1.5407165651117976
Energy: 1.4463079658840228
Energy: 1.4552691527698944
Energy: 1.550418577909304
Energy: 1.4180785887153173
Energy: 1.4051061943486733
Energy: 1.4693890840066794
Energy: 1.2655195940568158
Energy: 1.2509168035743148
Energy: 1.2548393605826929
Energy: 1.268049771873666
Energy: 1.2673947908792862
Energy: 0.4943173846553549
Energy: 0.5134102057724415
Energy: 0.496602882960814
Energy: 0.5086326909511341
Energy: 0.6094693869735285
Energy: 0.5303022519220565
Energy: 0.5232602353373675
Energy: 0.5710981102748096
Energy: 0.4886724096555693
Energy: 0.5222092664252832
Energy: 0.49202633304695326
Energy: 0.49968563786394543
Energy: 0.5144580090114081
Energy: 0.5010198496567205
Energy: 1.3971357247325045
Energy: 1.5844120248597333
Energy: 1.2559825924934631
Energy: 1.2526252232096047
Energy: 1.24745250701058
Energy: 1.2498407422940598
Energy: 1.2595502027951069
Energy: 1.4426807900433487
Energy: 1.4533417882038202
Energy: 1.5608705749000957
Energy: 0.5093107267207325
Energy: 0.5379572994989853
Energy: 0.5088851959794558
Energy: 1.5874681426335076
Energy: 0.4961461037022086
Energy: 0.6848043142590997
Energy: 0.5261112168151856
Energy: 0.4997617619905063
Energy: 0.5111869952408477
Energy: 0.5084825232189748
Energy: 0.4929326997630272
Energy: 1.3948621818142168
Energy: 1.4246059235426607
Energy: 1.2654980503065678
Energy: 1.2535793309126717
Energy: 1.2683960038773234
Energy: 1.2652429642239285
Energy: 1.2682679310802072
Energy: 1.5372187091353322
Energy: 1.391820820145555
Energy: 1.4495812109649908
Energy: 1.2942587838782618
Energy: 1.306423894514045
Energy: 1.537711856218152
Energy: 1.5444238743354564
Energy: 0.48526408209835314
Energy: 0.5649205833169826
Energy: 0.6381883348145991
Energy: 0.5467952653232576
Energy: 0.49684926228897414
Energy: 0.5976885213232858
Energy: 0.5055164459105177
Energy: 1.444520945620177
Energy: 1.5391489804721952
Energy: 1.52476275190843
Energy: 1.274568975318465
Energy: 1.2921213697437888
Energy: 1.2726787474614645
Energy: 1.4173853626480655

minimum gb energy = 0.4839408077212393 eV
minimum distance =  2.26676552132543 Angstroms
sigma value = 23