Model name: model_name=EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050000405311585
cohesive_energy=3.360264299713212
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[7.49495025031932e-20, 2.2398429343319997e-19, 2.9671510173363e-19, 3.30437715526062e-19, 3.5810730599524195e-19, 3.8280966533825396e-19, 4.0490848765101597e-19, 4.2455758189039196e-19, 4.41772969822722e-19, 4.56871882421538e-19, 4.70331768323772e-19, 4.82349695255406e-19, 4.92906437096832e-19, 5.019619394322e-19, 5.09666806865106e-19, 5.162229136514339e-19, 5.2178086439478e-19, 5.26423972280112e-19, 5.3026438967180995e-19, 5.33319740512848e-19, 5.35604444392932e-19, 5.37160157904546e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.3805096811305e-19, 5.37253084149318e-19, 5.35987364608458e-19, 5.34232981194228e-19, 5.31704746465776e-19, 5.27966868378654e-19, 5.22489026467008e-19, 5.146992436725e-19, 5.04094436532054e-19, 4.90229199941418e-19, 4.72701387565458e-19, 4.51126477012014e-19, 4.25192043837456e-19, 3.9458886795142193e-19, 3.58594367691978e-19, 3.1624403272545597e-19, 2.67150136306428e-19, 2.1407963748181196e-19, 1.65530481118344e-19, 1.3319839642656058e-19]
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: 0.011682383227815351
Energy: 0.01230217908823006
Energy: 0.0608902972760364
Energy: 0.060833097421073595
Energy: 0.01223304371774969
Energy: 0.012536053826634481
Energy: 0.06122655634270431
Energy: 0.06066503858667525
Energy: 0.06098968278255083
Energy: 0.01220576337357267
Energy: 0.01235857756226332
Energy: 0.06119001355243264
Energy: 0.06204882068715207
Energy: 0.06090908218952487
Energy: 0.06148126300440131
Energy: 0.06149023299308579
Energy: 0.061080294880171554
Energy: 0.061211222200227074
Energy: 0.3652994600472505
Energy: 0.06149137649815789
Energy: 0.06124808816544137
Energy: 0.012179020339311848
Energy: 0.011934700049880334
Energy: 0.060994870140936
Energy: 0.06083885903691476
Energy: 0.06132610257848705
Energy: 0.012071468525056916
Energy: 0.011889066004519925
Energy: 0.06077598513927854
Energy: 0.061011831556877845
Energy: 0.06077436437907954
Energy: 0.012128282354191793
Energy: 0.012125934516854597
Energy: 0.06087059481370636
Energy: 0.060764256865601274
Energy: 0.06094685421965814
Energy: 0.01211192904551713
Energy: 0.01211940817410506
Energy: 0.060826757478405345
Energy: 0.06088602850024684
Energy: 0.0608738121816626
Energy: 0.06074265765293619
Energy: 0.06092030879315763
Energy: 0.012117164179279648
Energy: 0.012061513734572971
Energy: 0.060766174489889704
Energy: 0.0607730905249372
Energy: 0.061609414860720066
Energy: 0.012178772017271229
Energy: 0.060971044702734074
Energy: 0.06122620581051224
Energy: 0.36703535093062756
Energy: 0.061245413044686066
Energy: 0.011974410357239612
Energy: 0.01218958310928004
Energy: 0.061294468284358354
Energy: 0.36685973831044455
Energy: 0.0614159788041424
Energy: 0.012061756080941954
Energy: 0.012265874390793935
Energy: 0.012392769069795907
Energy: 0.061263433986420965
Energy: 0.06065421814033739
Energy: 0.06170840406152803
Energy: 0.06175057448094467
Energy: 0.01225554848192481
Energy: 0.06123753839203485
Energy: 0.06070852428695616
Energy: 0.06194208881282013
Energy: 0.06071566603531052

minimum gb energy = 0.011682383227815351 eV
minimum distance =  2.82687244715998 Angstroms
sigma value = 3


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

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Energy: 0.53570901639387
Energy: 0.566019174009243
Energy: 0.574803300523406
Energy: 0.5337816729931938
Energy: 0.6316649548270161
Energy: 0.5248522963839933
Energy: 0.5628856596848657
Energy: 0.5768810838546763
Energy: 0.6877643837444667
Energy: 0.6616981799680269
Energy: 0.6711598646294993
Energy: 0.5934029343734619
Energy: 0.5676420074931623
Energy: 0.5280323491055692
Energy: 0.672690925492165
Energy: 0.6756515208941323
Energy: 0.5872207496794384
Energy: 0.5858518270188701
Energy: 0.5374877934342872
Energy: 0.5642654801107391
Energy: 0.6714404731010389
Energy: 0.6918808083130793
Energy: 0.527954370824154
Energy: 0.5283195405118477
Energy: 0.5132370831178702
Energy: 0.666768819580797
Energy: 0.6771413434552027
Energy: 0.5371268858816352
Energy: 0.5667703518879725
Energy: 0.5568042233965925
Energy: 0.5606184648728829
Energy: 0.6878500721466321
Energy: 0.5346332296109437
Energy: 0.540458752826905
Energy: 0.5607732950384545
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Energy: 0.5559946036611889
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Energy: 0.5289628228542598
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Energy: 0.6383772958288071
Energy: 0.5797870065212728
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Energy: 0.575689074139905
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Energy: 0.6682091503258918
Energy: 0.6304814972507516
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Energy: 0.688341990279708
Energy: 0.6317714212130014
Energy: 0.5350987944588392
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Energy: 0.7123538205167455
Energy: 0.6609301611680108
Energy: 0.7101398856355081
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Energy: 0.6613330060006933
Energy: 0.7032980924130612
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Energy: 0.5791698940756188
Energy: 0.5132874075173255
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Energy: 0.6768520291002856
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Energy: 0.6390281490292516
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Energy: 0.5299687454206065
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Energy: 0.6374195404381275
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Energy: 0.638719588500524
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Energy: 0.6177234853624777
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Energy: 0.6516400175334545
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Energy: 0.4869081713806184
Energy: 0.7084238896802292
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Energy: 0.5362684748601655
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Energy: 0.5257466378588284
Energy: 0.5041699736816522
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Energy: 0.6657898126560118
Energy: 0.6764402651141336
Energy: 0.4949581996464067
Energy: 0.5486244887378854
Energy: 0.4991663894726883
Energy: 0.6659181734423446
Energy: 0.6639768892500192
Energy: 0.5336539683140146
Energy: 0.5487456397971279
Energy: 0.5405305519456111
Energy: 0.6663430648016825
Energy: 0.6664859869006207
Energy: 0.5716076739224781
Energy: 0.5493730944150587
Energy: 0.6228583352570852
Energy: 0.6357039369494049
Energy: 0.6743723900232894
Energy: 0.5342681607803322
Energy: 0.5400583446498597
Energy: 0.6541150233399624
Energy: 0.6723402063643547
Energy: 0.5877406218860521
Energy: 0.5737155988195037
Energy: 0.6833117337362279
Energy: 0.6397475585998543
Energy: 0.6304464553587288
Energy: 0.5442832766516604
Energy: 0.6474486103458124
Energy: 0.6143090614630045
Energy: 0.6391729871056748
Energy: 0.6294757522918504
Energy: 0.6955476517441782
Energy: 0.6525562356727148
Energy: 0.5770194387577657
Energy: 0.6837402243238387
Energy: 0.6494570968016972
Energy: 0.4956264576195214
Energy: 0.6435383545217148
Energy: 0.5614911908085048
Energy: 0.6550174683878387
Energy: 0.6966514361859453
Energy: 0.6342141088033914
Energy: 0.5242060759839811
Energy: 0.5646793654836433
Energy: 0.5592660107141885
Energy: 0.699448260691924
Energy: 0.6084781655736725
Energy: 0.5257223394519163
Energy: 0.5604322052186413
Energy: 0.5610856646908335
Energy: 0.7273299458557541

minimum gb energy = 0.46967575292086944 eV
minimum distance =  2.58845782794858 Angstroms
sigma value = 75


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

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Energy: 0.5634423409277353
Energy: 0.5439935280131412
Energy: 0.5236709934134406
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minimum gb energy = 0.47212990017819184 eV
minimum distance =  2.54276443856034 Angstroms
sigma value = 105


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

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Energy: 0.47739746675131817
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Energy: 0.46619503326044504
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Energy: 0.4882284121594906
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Energy: 0.44946910803841433
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Energy: 0.526997825568025
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Energy: 0.621275714848894
Energy: 0.5839450460804989
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Energy: 0.49048582929520707
Energy: 0.46774700869988556
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Energy: 0.5670731364656515
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Energy: 0.5117217137447918
Energy: 0.4786751966631479
Energy: 0.45760016230661715
Energy: 0.5032851632026257
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Energy: 0.4725862270149395
Energy: 0.4560627155674736
Energy: 0.569573017502934
Energy: 0.4586703299079769
Energy: 0.6029903446752884
Energy: 0.47300661799554033
Energy: 0.4582734643137377
Energy: 0.5491266083320034
Energy: 0.4599286864580713
Energy: 0.4801689554922749
Energy: 0.5469905897450353
Energy: 0.5280470458795353
Energy: 0.5404858960961813
Energy: 0.4951531845067105
Energy: 0.5446986047997702
Energy: 0.5556905535123648
Energy: 0.5489520862721426
Energy: 0.5232199519440097
Energy: 0.46474799076067175
Energy: 0.469300221815212
Energy: 0.5663406682909679
Energy: 0.5442444890976013
Energy: 0.4996221014903262
Energy: 0.6096007856178064
Energy: 0.46501358747628707
Energy: 0.544222103103982
Energy: 0.5439779717545562
Energy: 0.5422096998907094
Energy: 0.61365942290264
Energy: 0.49618541230111496
Energy: 0.4817277312924097
Energy: 0.4653945385554868
Energy: 0.47429999158300873
Energy: 0.5907804593599946
Energy: 0.5181718712555763
Energy: 0.5197920968638351
Energy: 0.4659846009148076
Energy: 0.4684344410417308
Energy: 0.6091760124764883
Energy: 0.5536119865465373
Energy: 0.47141775967011157
Energy: 0.4504046513979566
Energy: 0.47519091185484125
Energy: 0.545436347451404
Energy: 0.5728259240691663
Energy: 0.47012381401606457
Energy: 0.46999325420178745
Energy: 0.47689810250113757
Energy: 0.556160265799318
Energy: 0.4705262495550535
Energy: 0.5586265842556362
Energy: 0.5083894489366116
Energy: 0.5745944675735462
Energy: 0.5471628732461188
Energy: 0.4587350276712203
Energy: 0.5655235443414082
Energy: 0.5126498560413626
Energy: 0.5740298377801413
Energy: 0.4699175431382461
Energy: 0.4779399500629908
Energy: 0.534392848466234
Energy: 0.5278736812721738
Energy: 0.5483125843840393
Energy: 0.5318527307611972
Energy: 0.44492568400402377
Energy: 0.5134720760223007
Energy: 0.5092283192361639
Energy: 0.5573049956208865
Energy: 0.5230780554126335
Energy: 0.5882510058643255
Energy: 0.4811393078482222
Energy: 0.5214398723707739
Energy: 0.5197036083114843
Energy: 0.531598508413703
Energy: 0.5755065145476418
Energy: 0.45369645753256904
Energy: 0.5037925155429838
Energy: 0.5008702725871332
Energy: 0.4761283237463991

minimum gb energy = 0.4325856667059096 eV
minimum distance =  2.6121942877442 Angstroms
sigma value = 165


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

Energy: 0.6085920701649241
Energy: 0.4292697855916901
Energy: 0.5513690805770383
Energy: 0.44373289281684025
Energy: 0.4207545461056714
Energy: 0.5555798654223798
Energy: 0.4296528867653519
Energy: 0.48704574134533374
Energy: 0.4832162386686916
Energy: 0.42880541622613555
Energy: 0.5470629308698072
Energy: 0.5236433352321375
Energy: 0.44354872765955433
Energy: 0.43002858773452807
Energy: 0.44031329551508663
Energy: 0.5505885062827757
Energy: 0.5119939086968921
Energy: 0.48409912410920347
Energy: 0.4756697183557722
Energy: 0.48810288530828044
Energy: 0.4575611489865635
Energy: 0.5907569730776804
Energy: 0.4927866342018461
Energy: 0.4885511414669614
Energy: 0.47913799090574294
Energy: 0.45404921964063094
Energy: 0.5399359009309403
Energy: 0.49445912127217284
Energy: 0.43247350216445773
Energy: 0.475892074498731
Energy: 0.477760323351823
Energy: 0.4714525910260679
Energy: 0.5441438854239996
Energy: 0.5165779211992869
Energy: 0.6135161122383291
Energy: 0.5230632253819654
Energy: 0.4909960613904188
Energy: 0.5120666052889445
Energy: 0.4645728688021308
Energy: 0.6144142416231135
Energy: 0.4995405423639607
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Energy: 0.47442804928454557
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Energy: 0.442355813179525
Energy: 0.5029067341301244
Energy: 0.4573059222071809
Energy: 0.4636987105428959
Energy: 0.44840178801805247
Energy: 0.44247968370517266
Energy: 0.4826289405135618
Energy: 0.5303511605567154
Energy: 0.46252445805037457
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Energy: 0.44781179022550005
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Energy: 0.49293606502953086
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Energy: 0.5553606362115868
Energy: 0.4679097571360179
Energy: 0.53424066023046
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Energy: 0.560485784370686
Energy: 0.4897748209554714
Energy: 0.45431619138508583
Energy: 0.5394081269627234
Energy: 0.5168918103166833
Energy: 0.500093050801037
Energy: 0.5166023198610099
Energy: 0.5302719972773194
Energy: 0.4755451786702603
Energy: 0.49406115561725306
Energy: 0.46779783060084246
Energy: 0.5165074561955615
Energy: 0.4599625171441075
Energy: 0.47596762527178077
Energy: 0.4921102732727058
Energy: 0.4202565153657581
Energy: 0.5137209448457825
Energy: 0.5763715708524831
Energy: 0.48521964932709577
Energy: 0.4841966993098913
Energy: 0.47217145022514506
Energy: 0.5649284521173646
Energy: 0.5391375233223014
Energy: 0.4679447719938106
Energy: 0.4742927283471738
Energy: 0.5081655039006606
Energy: 0.5279401075933645
Energy: 0.4846444220792142
Energy: 0.5415305215307994
Energy: 0.45667481217471856
Energy: 0.6133492135209638
Energy: 0.5119393575452456
Energy: 0.47783246471220836
Energy: 0.53652210466367
Energy: 0.5257335098002547
Energy: 0.6113353850648933
Energy: 0.5077270650944716
Energy: 0.46639943149105395
Energy: 0.5263259711943078
Energy: 0.45173890495860203
Energy: 0.5404470468381746
Energy: 0.5122040689440223
Energy: 0.4654145412371781
Energy: 0.5370858814609343
Energy: 0.4703000440554564
Energy: 0.47876361364732417
Energy: 0.5200700554269689
Energy: 0.5602325865572263
Energy: 0.4671198767586785
Energy: 0.44943678533833376
Energy: 0.4475872846014901
Energy: 0.5639744636396753
Energy: 0.5117186902360705
Energy: 0.4657999221284008
Energy: 0.4512038643827328
Energy: 0.46610948687266124
Energy: 0.4657047543830776
Energy: 0.514225514686462
Energy: 0.4629619747490706
Energy: 0.4310772752594452
Energy: 0.4534980215034057
Energy: 0.49929519633319214
Energy: 0.5140171071924943
Energy: 0.49834578509225275
Energy: 0.43179023784777076
Energy: 0.502033757251908
Energy: 0.6572974673464761
Energy: 0.5136764564380178
Energy: 0.49379942480721745
Energy: 0.47794355891460993
Energy: 0.5089709067674784
Energy: 0.5329900525063295
Energy: 0.4417230341549123
Energy: 0.4502067945014059
Energy: 0.444139084697057
Energy: 0.5207447111646022

minimum gb energy = 0.4202565153657581 eV
minimum distance =  2.54251654971313 Angstroms
sigma value = 41


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

Energy: 0.9088178826408664
Energy: 0.33302525053283605
Energy: 0.38430874817977384
Energy: 0.36443145236230445
Energy: 0.3332247565235201
Energy: 0.5056870571770377
Energy: 0.4107403816941764
Energy: 0.3845320763290498
Energy: 0.3643708898718671
Energy: 0.3242595685685568
Energy: 0.5213057579542715
Energy: 0.43184440294477777
Energy: 0.34653906869705015
Energy: 0.3463919857131341
Energy: 0.39588963176903835
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Energy: 0.4304901431238496
Energy: 0.34649220059377417
Energy: 0.3476750054043496
Energy: 0.3961623924295902
Energy: 0.3316540111936917
Energy: 0.3794573406145967
Energy: 0.37929251252389257
Energy: 0.3754701168878723
Energy: 0.5099607628214734
Energy: 0.3313689070812073
Energy: 0.379482549338791
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Energy: 0.45929020398560827
Energy: 0.47726088879468354
Energy: 0.45046820268626286
Energy: 0.3788234219650408
Energy: 0.3564497830200032
Energy: 0.3312153992888488
Energy: 0.4501705481629613
Energy: 0.4761575561873604
Energy: 0.38492094307942515
Energy: 0.3559793641468544
Energy: 0.3311013497239358
Energy: 0.37292664168197115
Energy: 0.45431487342900073
Energy: 0.43951505969038857
Energy: 0.332886685324874
Energy: 0.3918046778763076
Energy: 0.4457295373417024
Energy: 0.4534620280838869
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Energy: 0.3327187145619168
Energy: 0.3915049435849713
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Energy: 0.3332608267605925
Energy: 0.4078882595090827
Energy: 0.602978182167669
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Energy: 0.3325697968753955
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Energy: 0.455072373853816
Energy: 0.37257205448426395
Energy: 0.33176553602049097
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Energy: 0.4244547233155272
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Energy: 0.3848583261027131
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Energy: 0.38305555236480887
Energy: 0.38180738620455446
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Energy: 0.5187679707755953
Energy: 0.3796811294615743
Energy: 0.3825601869915909
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Energy: 0.38003571304523215
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Energy: 0.39621319759153073
Energy: 0.3791413672565728
Energy: 0.3647325648927929
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Energy: 0.36424440248834505
Energy: 0.41418120064580016
Energy: 0.5608111761125162
Energy: 0.32343653641527503
Energy: 0.39877625084965035
Energy: 0.34474203680305077
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Energy: 0.5145727926187494
Energy: 0.43182506368115586
Energy: 0.4022468983977483
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Energy: 0.5190874699101826
Energy: 0.4321412036732663
Energy: 0.484513126794
Energy: 0.37707582846245774
Energy: 0.4817352728807058
Energy: 0.3246688970685861
Energy: 0.3519617354739686
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Energy: 0.37508305699856764
Energy: 0.48259841583064106
Energy: 0.32465521830810673
Energy: 0.3804494943852575
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Energy: 0.5091795229698861
Energy: 0.39835583512697587
Energy: 0.4034991652418229
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Energy: 0.3991166703049916
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Energy: 0.3938939733711223
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Energy: 0.4557373051903439
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Energy: 0.42877261393309585
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Energy: 0.4298419936277539
Energy: 0.3351676376326429
Energy: 0.3301842483606164
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Energy: 0.3333151473765453
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Energy: 0.4889639766843322
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Energy: 0.3334393781964339
Energy: 0.33204158516664944
Energy: 0.47278495650727176
Energy: 0.4888611729046099
Energy: 0.5046251490215329
Energy: 0.3315629510258153
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Energy: 0.5082322225656544
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Energy: 0.48932661019505275
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Energy: 0.5284629632862945
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Energy: 0.34504271955595384
Energy: 0.385940300135001
Energy: 0.5254777397256737
Energy: 0.5149770831270121
Energy: 0.3444451852548542
Energy: 0.3459084939411026
Energy: 0.3983354682958258
Energy: 0.3286428196461414
Energy: 0.4543904577829822
Energy: 0.3441440964472974
Energy: 0.3740508762592811
Energy: 0.38179573864551775
Energy: 0.328994116325022
Energy: 0.45208820796564103
Energy: 0.345075349037465
Energy: 0.3721237426187346
Energy: 0.38219547377327223
Energy: 0.3986589125076284
Energy: 0.4355982009486813
Energy: 0.3942021088434353
Energy: 0.38170327286833766
Energy: 0.37879512587734665
Energy: 0.39818719960000315
Energy: 0.4513527345060734
Energy: 0.395839597979683
Energy: 0.38151802273897184
Energy: 0.37185392064065487
Energy: 0.5116532705499592
Energy: 0.34514054517205806
Energy: 0.3834726104550945
Energy: 0.3824609442376075
Energy: 0.4011810084803044
Energy: 0.5351337932199896
Energy: 0.3450817829865034
Energy: 0.38308125081087163
Energy: 0.3820707965506147
Energy: 0.49462230785150985

minimum gb energy = 0.32343653641527503 eV
minimum distance =  2.59769545243329 Angstroms
sigma value = 185


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

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Energy: 0.2512741937000572
Energy: 0.6945525084701399
Energy: 0.3929899337217351
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Energy: 0.33773014990781636
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Energy: 0.3701595518091764
Energy: 0.3248983850579526
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Energy: 0.3571756801729167
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Energy: 0.36195996002610514
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Energy: 0.1531798729106501
Energy: 0.3148362646528416
Energy: 0.42545138753681144
Energy: 0.4143258280201456
Energy: 0.3243375451255736
Energy: 0.19766620856918435
Energy: 0.3046496696643657
Energy: 0.37904993990977287
Energy: 0.3954701153832877
Energy: 0.17010693304568827
Energy: 0.15592096639277586
Energy: 0.33039839563736634
Energy: 0.69017790899287
Energy: 0.4196514336229404
Energy: 0.19943646464305836
Energy: 0.21947712235790479
Energy: 0.3719413116469414
Energy: 0.373902694150757
Energy: 0.37904598320113253
Energy: 0.2028355548279072
Energy: 0.3188767956613602
Energy: 0.37406301083106713
Energy: 0.39773922845754545
Energy: 0.319426487880631
Energy: 0.24475372647203628
Energy: 0.29651698934395243
Energy: 0.3981187394246143
Energy: 0.4189009984526695
Energy: 0.3819111107707861
Energy: 0.253686831484006
Energy: 0.36024847304870566
Energy: 0.4252941088249206
Energy: 0.3849592717879038
Energy: 0.1980616888251235
Energy: 0.13082938072634862
Energy: 0.27841329650932056
Energy: 0.3706183215952533
Energy: 0.42991304965065963
Energy: 0.25256412226210256

minimum gb energy = 0.13082938072634862 eV
minimum distance =  2.66618458211309 Angstroms
sigma value = 33


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

Energy: 0.6473718488746435
Energy: 0.4100787231822267
Energy: 0.35383648173342813
Energy: 0.34215057860482295
Energy: 0.4116413736221201
Energy: 0.5351705261087846
Energy: 0.4014523352593865
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Energy: 0.44008395321624316
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Energy: 0.449467097618083
Energy: 0.33628066290900066
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Energy: 0.35018202220011085
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Energy: 0.37049951912346946
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Energy: 0.4103233936950039
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Energy: 0.45131704030761083
Energy: 0.3944160895195632
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Energy: 0.41661800493027845
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Energy: 0.39881935089025067
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Energy: 0.33317290703556235
Energy: 0.3403491349189747
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Energy: 0.35134580608820515
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Energy: 0.33275865902286283
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Energy: 0.6204742561684249
Energy: 0.39993926548907965
Energy: 0.3661135780041505
Energy: 0.32846748249299085
Energy: 0.38748775188456186

minimum gb energy = 0.3118181767758533 eV
minimum distance =  2.60236755071134 Angstroms
sigma value = 219


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

Energy: 0.6766016057969492
Energy: 0.5730473399538483
Energy: 0.46576589222767006
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Energy: 0.5388547412472496
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Energy: 0.4333031871224799
Energy: 0.6676327567429234
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Energy: 0.530763612341854
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Energy: 0.4761846796384817
Energy: 0.613408989836359
Energy: 0.4581842012973015
Energy: 0.44379491050473796
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Energy: 0.4323443563187167
Energy: 0.6139855227122927
Energy: 0.4583615778104478
Energy: 0.4451927827066903
Energy: 0.4404802048272323
Energy: 0.43302116214585074
Energy: 0.3953914813953026
Energy: 0.5297917018225876
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Energy: 0.46589290904039254
Energy: 0.4316663387985445
Energy: 0.3954909596080344
Energy: 0.5347256613830683
Energy: 0.4659596880637825
Energy: 0.46591688279553567
Energy: 0.43157829710318735

minimum gb energy = 0.3768085599602997 eV
minimum distance =  2.64095561985352 Angstroms
sigma value = 15


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

Energy: 0.8093306359582968
Energy: 0.6194957042619584
Energy: 0.5312187217976861
Energy: 0.4614942161304002
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Energy: 0.4654497704742714
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Energy: 0.67379180919088
Energy: 0.520541792486716
Energy: 0.5144117769594898
Energy: 0.4591727846010792
Energy: 0.5323010240747573
Energy: 0.6726324647957858
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Energy: 0.46112969241124596
Energy: 0.5683908610772099
Energy: 0.6878577169012101
Energy: 0.4962795080557551
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minimum gb energy = 0.45399309545219674 eV
minimum distance =  2.61357192622611 Angstroms
sigma value = 293


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

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Energy: 0.4815870080887448
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Energy: 0.4815020791409872
Energy: 0.6906731737887011
Energy: 0.5510959772664985
Energy: 0.4681068252596341
Energy: 0.46854560202604484
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Energy: 0.5037444580185667
Energy: 0.46827359846604055
Energy: 0.4674082297443089
Energy: 0.48196949955001744
Energy: 0.6106289024110042
Energy: 0.47954782181072075
Energy: 0.4675603177648821
Energy: 0.5013109237164117
Energy: 0.4787614219411825
Energy: 0.6326968414600115
Energy: 0.6301239246169559
Energy: 0.46755706587532736
Energy: 0.5015339443274816
Energy: 0.4850788141767857
Energy: 0.6316301698403236
Energy: 0.5688636190095526
Energy: 0.6095873610264961
Energy: 0.45074695059004194
Energy: 0.5167264006959139
Energy: 0.6354348599659179
Energy: 0.5046129713395779
Energy: 0.47678546386550746
Energy: 0.4520773333901551
Energy: 0.516870599576644
Energy: 0.6092606709930496
Energy: 0.5044510652621392
Energy: 0.6117711375376865
Energy: 0.5008692238335675
Energy: 0.5009570164165265
Energy: 0.5296872779051042
Energy: 0.5046286277340034
Energy: 0.610563759509117
Energy: 0.49898819069687433
Energy: 0.5010314384514422
Energy: 0.6972285185688383
Energy: 0.5410996833505405
Energy: 0.5800718691706866
Energy: 0.4811593126511941
Energy: 0.5302732485700685
Energy: 0.5625095584753455
Energy: 0.5035280647345541
Energy: 0.5804957707418437
Energy: 0.5949997002340498
Energy: 0.5213869964799407
Energy: 0.5634762172554783
Energy: 0.49159360927361473

minimum gb energy = 0.4489793394972673 eV
minimum distance =  2.64709866290989 Angstroms
sigma value = 293


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

Energy: 0.40720605008112964
Energy: 0.5606344610115475
Energy: 0.4773793090533116
Energy: 0.7003305795118505
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Energy: 0.587051467671637
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Energy: 0.6996944750666197
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Energy: 0.6034287868345857
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Energy: 0.6035075283811617
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Energy: 0.40897196320971213
Energy: 0.5873140024046534
Energy: 0.47899244863947193
Energy: 0.7000808845429295
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Energy: 0.42348441421849614
Energy: 0.5602173390009432
Energy: 0.7012304760260956
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Energy: 0.4081373682243514
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Energy: 0.5606235047652746
Energy: 0.699782863149964
Energy: 0.6033590730155786
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Energy: 0.7002365433849024
Energy: 0.47676070588865516
Energy: 0.5865373777980329
Energy: 0.5595060947895524
Energy: 0.6896743224519674
Energy: 0.5871858115576714
Energy: 0.4113657054755183
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Energy: 0.5613215612668724
Energy: 0.4234406901465749
Energy: 0.5870584280970215
Energy: 0.41065011457516676
Energy: 0.5870090265290696
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Energy: 0.4785179176106529
Energy: 0.5869405441552945
Energy: 0.6034036471906968
Energy: 0.6035785154303538
Energy: 0.4082697262809701
Energy: 0.5626973871551783
Energy: 0.5873502605166079
Energy: 0.6043883959449973
Energy: 0.6036342247416608
Energy: 0.4120838621642891
Energy: 0.5627535295915097
Energy: 0.5602060427120571
Energy: 0.6900111528715138
Energy: 0.6999390133858565
Energy: 0.40889241809146043
Energy: 0.6040313379051203
Energy: 0.5605107082158027
Energy: 0.6999589045419373
Energy: 0.7000048962694687
Energy: 0.4085176035508832
Energy: 0.5621893390815991
Energy: 0.5602790034470538
Energy: 0.42314323558216316
Energy: 0.6049100628034851
Energy: 0.5868336695525557
Energy: 0.5856969932364183
Energy: 0.5601259111550709
Energy: 0.5603056974964483
Energy: 0.6034882603112421
Energy: 0.5869012267386848
Energy: 0.5605106165174784
Energy: 0.40880257021605926
Energy: 0.5867219082957537
Energy: 0.5876295410135167
Energy: 0.5871895556308678
Energy: 0.603585004258779
Energy: 0.40837973448139525
Energy: 0.5866384040499779
Energy: 0.553409747650641
Energy: 0.5869177581985137
Energy: 0.6037680072133527

minimum gb energy = 0.4054481387527861 eV
minimum distance =  2.62203688569387 Angstroms
sigma value = 15


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

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Energy: 0.5914062251019412
Energy: 0.5973119872688076
Energy: 0.5968712194324715
Energy: 0.5885359756915268
Energy: 0.7212962823941763
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Energy: 0.4986742966763024
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Energy: 0.5125784353764876
Energy: 0.5820107979897238
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Energy: 0.6325482122324095
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Energy: 0.6765563040403861
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Energy: 0.6652141098959222
Energy: 0.6249068912473451
Energy: 0.5318334504560511
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Energy: 0.6028272534042414
Energy: 0.6578805318943922
Energy: 0.6197017504478683
Energy: 0.5536663320990751
Energy: 0.508249257325092
Energy: 0.526241419162052
Energy: 0.6154289252745649
Energy: 0.6052768730381133
Energy: 0.5520762045683032
Energy: 0.5075630613649063
Energy: 0.5267357114418018
Energy: 0.5551818186661663
Energy: 0.5944698705744924
Energy: 0.5453302786396368
Energy: 0.5098824941044147
Energy: 0.5546849264480949
Energy: 0.5556368682179469
Energy: 0.5961122747291475
Energy: 0.543135259384368
Energy: 0.5127815198708906
Energy: 0.5790459047404686
Energy: 0.5683078207825409
Energy: 0.5771304061675184
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Energy: 0.6664530190099437
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Energy: 0.5708357534465385
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Energy: 0.6850895818355653
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Energy: 0.592272900925594
Energy: 0.6117654818277202
Energy: 0.5989627302994727
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Energy: 0.5268186007094573
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Energy: 0.6749357204664176
Energy: 0.5676941225650934
Energy: 0.5366478168611811
Energy: 0.5420472878749988
Energy: 0.5308575409016292
Energy: 0.5693378816595405
Energy: 0.5896817223279736
Energy: 0.5994176790200427
Energy: 0.5146018162873768
Energy: 0.5363833289938892
Energy: 0.5728149674029046
Energy: 0.5938729441359432
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Energy: 0.6164502846585022
Energy: 0.5761047851302387
Energy: 0.5506309294436594
Energy: 0.5905128640802996
Energy: 0.6101416281748563
Energy: 0.6086512710230313
Energy: 0.5773238135124581
Energy: 0.5508213736567726
Energy: 0.5918691477902464
Energy: 0.547942625519126
Energy: 0.665721215879298
Energy: 0.567301313548732
Energy: 0.6261396480279506
Energy: 0.6257512292992572
Energy: 0.705833863123814
Energy: 0.6708829988450118
Energy: 0.5680340978184268
Energy: 0.6236742690252148
Energy: 0.625878591090511
Energy: 0.7121641747497612
Energy: 0.6251113155834347
Energy: 0.6489643855109004
Energy: 0.64123556894096
Energy: 0.6468391013619512
Energy: 0.5458268992530221
Energy: 0.626369283989822
Energy: 0.6549402448106088
Energy: 0.6539423357335665
Energy: 0.6374657892398176
Energy: 0.5420605493953119
Energy: 0.5575134496416173
Energy: 0.6412457201629128
Energy: 0.5408655576141267
Energy: 0.5104772323815605
Energy: 0.5437185580422398
Energy: 0.5730316915243039
Energy: 0.6373038944429662
Energy: 0.5204727973537709
Energy: 0.5091628945363375
Energy: 0.5436808857250519
Energy: 0.5513257042837427
Energy: 0.7043014213156678
Energy: 0.5874693251075351
Energy: 0.5158222115512171
Energy: 0.5122999346236309
Energy: 0.5730190901960522
Energy: 0.707498602695864
Energy: 0.5998429991119395
Energy: 0.5142525451877914
Energy: 0.5106185480859121
Energy: 0.615328928742231
Energy: 0.5680223113023728
Energy: 0.567549919603945
Energy: 0.6027185243144284
Energy: 0.7399214619301033
Energy: 0.6112162716824038
Energy: 0.5692411852403482
Energy: 0.557456066462959
Energy: 0.6313973200159617
Energy: 0.7321944096929919
Energy: 0.5231288158018851
Energy: 0.5142588424460143
Energy: 0.6032201761183371
Energy: 0.6357930074981708
Energy: 0.5453159237236266
Energy: 0.49970886511454127
Energy: 0.5143887122061416
Energy: 0.6059845599067775
Energy: 0.6246458179851461
Energy: 0.553438570265989
Energy: 0.5513139355221885
Energy: 0.5210744613145055
Energy: 0.5237256817976756
Energy: 0.6054407118458638
Energy: 0.5572258686289385
Energy: 0.5284045795787707
Energy: 0.5270509576499594
Energy: 0.5650191400979562
Energy: 0.6126037121534721
Energy: 0.529344627377331
Energy: 0.546375258305796
Energy: 0.5676490003747889
Energy: 0.5611240555469608
Energy: 0.5877365231981819
Energy: 0.6115570622616244
Energy: 0.5384072446305873
Energy: 0.6042309830790049
Energy: 0.5590521634043436
Energy: 0.6820058347010468
Energy: 0.6042245339804349
Energy: 0.7519981407566767
Energy: 0.6191122709635535
Energy: 0.6755191709947422
Energy: 0.5562389247709688
Energy: 0.5551952589638969
Energy: 0.7647197261260075
Energy: 0.607939966224731
Energy: 0.6775127059017688
Energy: 0.580191290611055
Energy: 0.563973710688909

minimum gb energy = 0.4986742966763024 eV
minimum distance =  2.63568535887576 Angstroms
sigma value = 437


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

Energy: 0.6301386665194644
Energy: 0.6378425366078736
Energy: 0.526630721035667
Energy: 0.6056757062730784
Energy: 0.6401560044886351
Energy: 0.6305218379949739
Energy: 0.6195033077738996
Energy: 0.5458937156867696
Energy: 0.6046017560711588
Energy: 0.6259613709421824
Energy: 0.552393850628958
Energy: 0.5881355427475532
Energy: 0.5689441328222911
Energy: 0.5863026347145509
Energy: 0.6253215432883507
Energy: 0.565173323516636
Energy: 0.5881714618438852
Energy: 0.5696053296187994
Energy: 0.610692594950373
Energy: 0.6286632909809128
Energy: 0.5569568854505763
Energy: 0.5934528130199942
Energy: 0.589854192919384
Energy: 0.5617081247933987
Energy: 0.5374757665190234
Energy: 0.5578533853910888
Energy: 0.5933443113337968
Energy: 0.587673287221841
Energy: 0.6122751947741872
Energy: 0.5371603225498857
Energy: 0.49922760197458343
Energy: 0.5560321281997423
Energy: 0.666783864009893
Energy: 0.5670787385500738
Energy: 0.5426261356923943
Energy: 0.5686590807703955
Energy: 0.49678232867072497
Energy: 0.6649466177123076
Energy: 0.5687513223621984
Energy: 0.5416910281652062
Energy: 0.5779806130685238
Energy: 0.5583132477739857
Energy: 0.6999308136783697
Energy: 0.557802519905644
Energy: 0.4879563005693034
Energy: 0.5108512455753876
Energy: 0.6633693757344592
Energy: 0.6128884694659986
Energy: 0.5575893175242054
Energy: 0.5057522706406571
Energy: 0.5444186874625665
Energy: 0.5528759105631765
Energy: 0.5592113939171434
Energy: 0.5123542513802681
Energy: 0.6328116964471464
Energy: 0.5448442500114076
Energy: 0.5526605103408446
Energy: 0.5597868823974154
Energy: 0.5132123442462441
Energy: 0.6326792994367023
Energy: 0.5685838009948182
Energy: 0.5669821004456777
Energy: 0.5405188860097666
Energy: 0.573125197359438
Energy: 0.5905986881852839
Energy: 0.5563859175132349
Energy: 0.5444407340923635
Energy: 0.5421628127582158
Energy: 0.6075389816724464
Energy: 0.6430855778136298
Energy: 0.5974744787898777
Energy: 0.5554705108548009
Energy: 0.5596260228471461
Energy: 0.6082281573389275
Energy: 0.588903860939072
Energy: 0.5808210116366761
Energy: 0.5542932202436314
Energy: 0.5589146685331388
Energy: 0.6057348432700711
Energy: 0.5895031508193824
Energy: 0.5474687681455718
Energy: 0.7084504444269163
Energy: 0.5516097292676675
Energy: 0.6305762887677991
Energy: 0.5953058044950076
Energy: 0.5652561904196592
Energy: 0.6950962216708646
Energy: 0.5508643996601118
Energy: 0.629567097574317
Energy: 0.5917525118924715
Energy: 0.6475761080651753
Energy: 0.6364406663677216
Energy: 0.552628300010218
Energy: 0.5363011550477516
Energy: 0.5630874055344687
Energy: 0.6251975919952785
Energy: 0.6376124820443502
Energy: 0.5519139090980555
Energy: 0.6501618721261281
Energy: 0.5629319579777786
Energy: 0.5142789041456761
Energy: 0.526490597726169
Energy: 0.5798067874889764
Energy: 0.658259372242682
Energy: 0.6091034768751195
Energy: 0.5153583717243672
Energy: 0.5271122112953093
Energy: 0.5592635170779967
Energy: 0.6610216731713591
Energy: 0.4958545951718051
Energy: 0.5278178961058174
Energy: 0.5300057256583572
Energy: 0.5370837121628033
Energy: 0.5585374534948164
Energy: 0.5312057135913771
Energy: 0.5283942054656937
Energy: 0.5313900547376785
Energy: 0.6005682935223894
Energy: 0.5704597394370129
Energy: 0.5312032496173678
Energy: 0.526040994950628
Energy: 0.509565481788612
Energy: 0.6060163766569054
Energy: 0.6099581922030866
Energy: 0.5797563741099941
Energy: 0.5267359350776253
Energy: 0.5914677809613798
Energy: 0.6038991666262684
Energy: 0.5879190045918029
Energy: 0.5805238329925657
Energy: 0.7328457798946026
Energy: 0.6209626819255798
Energy: 0.6721201595961475
Energy: 0.5364634860279849
Energy: 0.5487655530125968
Energy: 0.7328793648473827
Energy: 0.6216164235416751
Energy: 0.6800328193255755
Energy: 0.5262782100965667
Energy: 0.6507354538609387

minimum gb energy = 0.4879563005693034 eV
minimum distance =  2.47358293626777 Angstroms
sigma value = 33