Model name: model_name=EAM_ErcolessiAdams_1994_Al__MO_324507536345_003
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=4.032082714140415
cohesive_energy=3.360264268222285
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=[2.0219469121079998e-19, 2.6564248809383398e-19, 3.0382075510542e-19, 3.40712474279904e-19, 3.6790301393551795e-19, 3.92257700948952e-19, 4.1432768408230197e-19, 4.3352496451088995e-19, 4.498110899954999e-19, 4.63376719555578e-19, 4.745551059309959e-19, 4.8477058414938e-19, 4.95255228042276e-19, 5.04232223722578e-19, 5.1137472715695e-19, 5.171842196318339e-19, 5.22242291265372e-19, 5.266787183649179e-19, 5.30414994275406e-19, 5.333950428146459e-19, 5.35610853099468e-19, 5.371473404914739e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3801892458037e-19, 5.369967358878779e-19, 5.351269957559999e-19, 5.323231866465e-19, 5.28594921619182e-19, 5.236137544640759e-19, 5.16991958435754e-19, 5.08309763256108e-19, 4.97076902875134e-19, 4.82684550171912e-19, 4.64257916704278e-19, 4.4051045463513e-19, 4.0974385673242797e-19, 3.6964297776004196e-19, 3.1709478851811e-19, 2.4833737826999997e-19, 1.5840928663320418e-19, 4.12278500167416e-20, -1.1152302939816479e-19, -3.07430459061822e-19, -5.54157649814652e-19, -8.579015004416399e-19, -1.239825162101292e-18, -1.7681461115160597e-18, -2.4845754151755e-18, -3.44017764675846e-18, -4.86518558857074e-18, -7.24412949826662e-18, -1.109126001006108e-17, -2.01959171245602e-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: 0.011785207132255431
Energy: 0.06860380308399752
Energy: 0.06786437813047812
Energy: 0.06793184542279572
Energy: 0.012528019468414205
Energy: 0.012641327713790914
Energy: 0.06825566684437818
Energy: 0.06787115607450019
Energy: 0.06802321340859603
Energy: 0.012452153599366165
Energy: 0.06811240137239626
Energy: 0.06803840612640738
Energy: 0.06865092612057042
Energy: 0.06773556917599799
Energy: 0.0691539929176439
Energy: 0.0681911091217804
Energy: 0.06804169926280529
Energy: 0.06818173617290933
Energy: 0.0678919974028531
Energy: 0.06889539565293006
Energy: 0.06872121116722446
Energy: 0.012350238562251207
Energy: 0.01207507777015652
Energy: 0.06813813357840377
Energy: 0.0676291211211836
Energy: 0.06885843991626207
Energy: 0.012229729952320365
Energy: 0.012055696087759093
Energy: 0.06795298196224109
Energy: 0.06777922631270336
Energy: 0.06796403595700261
Energy: 0.012342821565362122
Energy: 0.012178219562303798
Energy: 0.0677177542623579
Energy: 0.0677995155245332
Energy: 0.06829230408133412
Energy: 0.012309511885561165
Energy: 0.012142294425193748
Energy: 0.06742593496845561
Energy: 0.06767108128558956
Energy: 0.0678471103125665
Energy: 0.06801739192541649
Energy: 0.06779533262251543
Energy: 0.012119376373131673
Energy: 0.012183755603006337
Energy: 0.06766047458070296
Energy: 0.068285374346582
Energy: 0.06790957139672983
Energy: 0.012220062743526588
Energy: 0.06768302673348589
Energy: 0.06776108695754417
Energy: 0.06755574733499975
Energy: 0.06846981359811137
Energy: 0.0121671630089778
Energy: 0.012438098391387493
Energy: 0.06790929173809053
Energy: 0.06763184236568523
Energy: 0.06876272472470484
Energy: 0.012275712398975486
Energy: 0.0124105262444439
Energy: 0.012460759362647114
Energy: 0.06795816657718867
Energy: 0.06771033870213942
Energy: 0.06932429837076502
Energy: 0.068115060974951
Energy: 0.012399506155943187
Energy: 0.06970328953392695
Energy: 0.06792842472159322
Energy: 0.0690812581854362
Energy: 0.0682317586377399

minimum gb energy = 0.011785207132255431 eV
minimum distance =  2.81593908679415 Angstroms
sigma value = 3


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

Energy: 0.6290429815136472
Energy: 0.5222009862192611
Energy: 0.54114494054312
Energy: 0.5257282809706835
Energy: 0.5256108057984501
Energy: 0.6070402350205838
Energy: 0.5232146416734652
Energy: 0.5358619976339728
Energy: 0.5233874440225105
Energy: 0.5123657989293715
Energy: 0.5228444379892856
Energy: 0.7019712578941709
Energy: 0.5271328211999939
Energy: 0.5203610222248856
Energy: 0.4590048120866098
Energy: 0.5572272381328083
Energy: 0.6545402008315284
Energy: 0.5331158583132051
Energy: 0.5232794242367219
Energy: 0.5008362518289249
Energy: 0.5295656372971773
Energy: 0.6524567868662221
Energy: 0.5247533453320766
Energy: 0.4924206727390036
Energy: 0.49048628004483724
Energy: 0.5004731147490032
Energy: 0.6526384968455133
Energy: 0.5910746004423674
Energy: 0.49736740382370004
Energy: 0.5183564148932253
Energy: 0.5106519697742528
Energy: 0.5321628465433188
Energy: 0.6526807237027907
Energy: 0.501190425428766
Energy: 0.5135224604640685
Energy: 0.4968044105322376
Energy: 0.5261034679839041
Energy: 0.6508529882017029
Energy: 0.48342530264280525
Energy: 0.5179048233543054
Energy: 0.6052473692544543
Energy: 0.5669019654094092
Energy: 0.5944782451927145
Energy: 0.6364752132131642
Energy: 0.5498982571906891
Energy: 0.6029915213850119
Energy: 0.536948035359549
Energy: 0.5819444961174984
Energy: 0.6266184580208661
Energy: 0.5483507385928478
Energy: 0.5478960819428269
Energy: 0.6186175110213299
Energy: 0.5676330453731053
Energy: 0.4741785831019851
Energy: 0.6300672697974506
Energy: 0.5464983810189279
Energy: 0.6043675484574641
Energy: 0.5435009094963748
Energy: 0.5192948636127194
Energy: 0.6296249742770079
Energy: 0.5357184706822357
Energy: 0.5391244412376572
Energy: 0.6584460302436215
Energy: 0.4810627353707214
Energy: 0.5285393515905963
Energy: 0.5407835009813536
Energy: 0.592116304223875
Energy: 0.6588248177135937
Energy: 0.48066790842040524
Energy: 0.5311903274978544
Energy: 0.5450816097867419
Energy: 0.515928928150123
Energy: 0.5839091037905696
Energy: 0.5838637124579843
Energy: 0.5433449837665083
Energy: 0.5411013684098651
Energy: 0.522713814248298
Energy: 0.6084866222606412
Energy: 0.5211455331599639
Energy: 0.5215866863418028
Energy: 0.5302141941644833
Energy: 0.4702561688194145
Energy: 0.4829069068511032
Energy: 0.6569417132972547
Energy: 0.5388072648532749
Energy: 0.5281333052329116
Energy: 0.4717065967631874
Energy: 0.48230437218135175
Energy: 0.6552352133894096
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Energy: 0.5333284639544542
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Energy: 0.5544701976558339
Energy: 0.6477528645927259
Energy: 0.6045426166013286
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Energy: 0.5700155373570889
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Energy: 0.6457203141017706
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Energy: 0.6014032620990423
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Energy: 0.5299632270553319
Energy: 0.5790990554914751
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Energy: 0.6056532880573027
Energy: 0.5482101557451813
Energy: 0.6062654183959681
Energy: 0.567225173007165
Energy: 0.6210102205657898
Energy: 0.5997297060778198
Energy: 0.5220180757357912
Energy: 0.545290204164123
Energy: 0.5319438768126712
Energy: 0.5781803703651551
Energy: 0.6075547917684978
Energy: 0.47457831260249095
Energy: 0.5654492689581966
Energy: 0.5288793491817982
Energy: 0.5688162950977712
Energy: 0.6476757808154994
Energy: 0.6169670626681149
Energy: 0.5236923537829973
Energy: 0.5271830269403079
Energy: 0.5271010007260667
Energy: 0.5268375658425236
Energy: 0.6077841777599625
Energy: 0.5183779206487888
Energy: 0.5378900789537324
Energy: 0.5230651406069156
Energy: 0.5788958305812157
Energy: 0.5599135931354341
Energy: 0.6628326504465645
Energy: 0.5260171268157167
Energy: 0.529834645968254
Energy: 0.4742116023216228
Energy: 0.6528127675739483
Energy: 0.6558397421253169
Energy: 0.5312466100700062
Energy: 0.5344752156569452
Energy: 0.5021169597683016
Energy: 0.5308955344635593
Energy: 0.6497632073287696
Energy: 0.4531230927591675
Energy: 0.4927989830430016
Energy: 0.4898918669119611
Energy: 0.501256186249261
Energy: 0.6509819010434049
Energy: 0.44885591435163674
Energy: 0.4985841436155441
Energy: 0.518619155051093
Energy: 0.510608670621001
Energy: 0.4792224496745879
Energy: 0.6525017106681207
Energy: 0.4583203533850875
Energy: 0.48824813590566607
Energy: 0.49488852570508834
Energy: 0.4535642600925063
Energy: 0.6504805159761371
Energy: 0.517542356358657
Energy: 0.4880877689535972
Energy: 0.6063972065414731
Energy: 0.5786385276096222
Energy: 0.5949138172028919
Energy: 0.6361516446867913
Energy: 0.5184554518077346
Energy: 0.6035490669301795
Energy: 0.5785836551342832
Energy: 0.6244165552860848
Energy: 0.6278398465194964
Energy: 0.5049599525999172
Energy: 0.5460717310260785
Energy: 0.6179959118404172
Energy: 0.5477804273236468
Energy: 0.47704121670681143
Energy: 0.6303319790344484
Energy: 0.6040869805680369
Energy: 0.6002204253315884
Energy: 0.5475761566020722
Energy: 0.5653718505298401
Energy: 0.6333572617374623
Energy: 0.5434166800378176
Energy: 0.5927047584352254
Energy: 0.5914696999118724
Energy: 0.47998516138488995
Energy: 0.5891041870242678
Energy: 0.5400637195050222
Energy: 0.6061869712994147
Energy: 0.5945891428225026
Energy: 0.47985972694294604
Energy: 0.5322700300050676
Energy: 0.5429630590502796
Energy: 0.5233271966382499
Energy: 0.5819730341303829
Energy: 0.5142509052990867
Energy: 0.5422210445215498
Energy: 0.5397417213367266
Energy: 0.5234362412722119
Energy: 0.57880883125083
Energy: 0.514414522799323
Energy: 0.5210047604481801
Energy: 0.5332956966696573
Energy: 0.5372676891953463
Energy: 0.48352994653504056
Energy: 0.6308021139318545
Energy: 0.5282693138651805
Energy: 0.5282728534491963
Energy: 0.5188791834627835
Energy: 0.4834167013212578
Energy: 0.6492777529252284
Energy: 0.5331036713341848
Energy: 0.5284207495967803
Energy: 0.5329897029198983
Energy: 0.47729833609789507
Energy: 0.5597418025079278
Energy: 0.6475628980125202
Energy: 0.5050788687255106
Energy: 0.5180424366747965
Energy: 0.47398693085389887
Energy: 0.5439596698991012
Energy: 0.647636140892404
Energy: 0.6049575797409116
Energy: 0.4907912486846825
Energy: 0.5106790596894745
Energy: 0.5167145257258505
Energy: 0.6478022298534956
Energy: 0.5422950090841998
Energy: 0.491598432743879
Energy: 0.5235435363804589
Energy: 0.5512360637230035
Energy: 0.6477395851234063
Energy: 0.636037524378577
Energy: 0.5323281631395271
Energy: 0.5143989514823605
Energy: 0.563924825871186
Energy: 0.5207835398729146
Energy: 0.6245756207742534
Energy: 0.4787032690945173
Energy: 0.6120452153906779
Energy: 0.6240168031586154
Energy: 0.5279623432148814
Energy: 0.5767268023202764
Energy: 0.5645336166680748
Energy: 0.5693793094258833
Energy: 0.6184584297834043
Energy: 0.5992890490810092
Energy: 0.5434537102022206
Energy: 0.6062464232210011
Energy: 0.5418543105381142
Energy: 0.6184566657013404
Energy: 0.5654267066613572
Energy: 0.5207046185727423
Energy: 0.5474667218618517
Energy: 0.5324754520618619
Energy: 0.5813088180997542
Energy: 0.6075723924607003
Energy: 0.4743492669000546
Energy: 0.5427813181492647
Energy: 0.5227648944387058
Energy: 0.55480328298135
Energy: 0.5487653965534386
Energy: 0.6277624302094881
Energy: 0.529316098493393
Energy: 0.5287266523580519
Energy: 0.5220240174581038
Energy: 0.592204401855296
Energy: 0.6076730529448886
Energy: 0.5250812811275701
Energy: 0.5243562976953791
Energy: 0.5232033684096395
Energy: 0.5734852926257983

minimum gb energy = 0.44885591435163674 eV
minimum distance =  2.57173081504953 Angstroms
sigma value = 75


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

Energy: 0.9260383894711431
Energy: 0.5337678413785886
Energy: 0.49617323478653297
Energy: 0.5201041844791787
Energy: 0.5008007192714787
Energy: 0.5047677748524375
Energy: 0.5028376249985865
Energy: 0.5233469787787507
Energy: 0.5281198881786769
Energy: 0.5350513113302994
Energy: 0.5718001202422448
Energy: 0.5937615060900603
Energy: 0.506636289960297
Energy: 0.5225734450890321
Energy: 0.4878232686595813
Energy: 0.5223064304742709
Energy: 0.5141784680638138
Energy: 0.5302760227066036
Energy: 0.5396562023289863
Energy: 0.5304147984142382
Energy: 0.5557513357409238
Energy: 0.5408901355384823
Energy: 0.6392932070038475
Energy: 0.5187143962843784
Energy: 0.5122132520123102
Energy: 0.5262013974410689
Energy: 0.540877509757241
Energy: 0.6444469399876208
Energy: 0.5295714469793116
Energy: 0.5043356751466381
Energy: 0.5130106413260485
Energy: 0.5105985265116206
Energy: 0.5860690814960362
Energy: 0.5233699890149335
Energy: 0.5132738214137249
Energy: 0.5131669370116088
Energy: 0.5304876043950348
Energy: 0.5204061052596439
Energy: 0.5455779809902392
Energy: 0.5130114928394174
Energy: 0.5282738614809672
Energy: 0.4871901275933323
Energy: 0.5063764297876197
Energy: 0.5295345811920662
Energy: 0.5109913423960921
Energy: 0.5488244861267858
Energy: 0.5313076366393013
Energy: 0.5108457523714695
Energy: 0.538483119318506
Energy: 0.5169527348867631
Energy: 0.4969466776869389
Energy: 0.5417788574065615
Energy: 0.5249367591504408
Energy: 0.5176435792179614
Energy: 0.525269588847707
Energy: 0.49451168852500693
Energy: 0.5106418096538691
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Energy: 0.5021723742594993
Energy: 0.5149488428335051
Energy: 0.5499910687079159
Energy: 0.5422248462842849
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Energy: 0.5086129877525404
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Energy: 0.5627473228986596
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Energy: 0.48292555268552945
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Energy: 0.5241492797519341
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Energy: 0.5832183090299574
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Energy: 0.5138297997855593
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Energy: 0.5221507675127509
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Energy: 0.5342258803165737
Energy: 0.5295085090302393
Energy: 0.5071621952745197
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Energy: 0.5368030889852734
Energy: 0.5371887866917541
Energy: 0.5111741386172993
Energy: 0.4877303974035911
Energy: 0.5307681464557356
Energy: 0.5350922943210464
Energy: 0.5011759161014221
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Energy: 0.5072687628240516
Energy: 0.5032635288994072
Energy: 0.5387700829531639
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Energy: 0.5116323717286814
Energy: 0.5130172962924933
Energy: 0.5161141749391258
Energy: 0.513216618905491
Energy: 0.5302449072438367
Energy: 0.5131060449577196
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Energy: 0.5405580728570275
Energy: 0.5724072825915079
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Energy: 0.531993459851181
Energy: 0.5551511451528917
Energy: 0.5030280916454358
Energy: 0.5044924707227515
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minimum gb energy = 0.48292555268552945 eV
minimum distance =  2.52859970774676 Angstroms
sigma value = 105


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

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Energy: 0.4758429645322895
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Energy: 0.47580329947862976
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Energy: 0.477432456331179
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Energy: 0.4884132278086324
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Energy: 0.48924306626037434
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Energy: 0.47529634618995587
Energy: 0.49448797113374465
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Energy: 0.4756280867808878
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Energy: 0.47710339266992374
Energy: 0.5081695848392193
Energy: 0.5180316748264957
Energy: 0.4776688233509549
Energy: 0.47949068601057615
Energy: 0.5272626730812356
Energy: 0.45543759691787733
Energy: 0.517991209594874
Energy: 0.4783259565274182
Energy: 0.4799186975419487
Energy: 0.5274897860845791
Energy: 0.4555983735485064
Energy: 0.48376667599474954
Energy: 0.5069964119554308
Energy: 0.5640406207433822
Energy: 0.4959507411286206
Energy: 0.47499446370528614
Energy: 0.5255745468976074
Energy: 0.4853711698478688
Energy: 0.5661540200810539
Energy: 0.5014607986152451
Energy: 0.48161047786492517
Energy: 0.47259597155452754
Energy: 0.504982110548536
Energy: 0.5504335783384338
Energy: 0.516353741868166
Energy: 0.5243843458789121
Energy: 0.45573270686306094
Energy: 0.505599337787882
Energy: 0.5506679634312219
Energy: 0.5151316114847052
Energy: 0.5608773720815775
Energy: 0.47839875384207986
Energy: 0.5245791047636905
Energy: 0.47661486624185406
Energy: 0.4737856974527726
Energy: 0.5465760231419196
Energy: 0.5149666659113036
Energy: 0.476983210402171
Energy: 0.46912966609960266
Energy: 0.47289404762506865
Energy: 0.5605012993709305
Energy: 0.5082447634250058
Energy: 0.47488633096835386
Energy: 0.46481874597929607
Energy: 0.4626469456262694
Energy: 0.5394570737780197
Energy: 0.5032080715095073
Energy: 0.4749436691838756
Energy: 0.4798420938066921
Energy: 0.48311206556699793
Energy: 0.5143424173084195
Energy: 0.4704176570048267
Energy: 0.5771254026960833
Energy: 0.49368172210064265
Energy: 0.46753500570265616
Energy: 0.49356102372590693
Energy: 0.48363412454874133
Energy: 0.5280131880166317
Energy: 0.5301397792382311
Energy: 0.46679238638262166
Energy: 0.5111777578606723
Energy: 0.4786959038820274
Energy: 0.49085242946447427
Energy: 0.5159895411875189
Energy: 0.5102444973941163
Energy: 0.45546140400281226
Energy: 0.4770541824731831
Energy: 0.4960582359046077
Energy: 0.48923072455449806
Energy: 0.4733797980091188
Energy: 0.4837645951835878
Energy: 0.583213832125621
Energy: 0.48646778303962024
Energy: 0.5083472215783413
Energy: 0.5072864151690143
Energy: 0.47969808163399696
Energy: 0.5287153469158278
Energy: 0.4698802027486864
Energy: 0.4935781346045744
Energy: 0.48873717171455294
Energy: 0.4616586182190622

minimum gb energy = 0.45532599093868875 eV
minimum distance =  2.60892648353882 Angstroms
sigma value = 165


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

Energy: 0.6123418267268489
Energy: 0.46536332911795236
Energy: 0.45853778832534253
Energy: 0.4430481045937633
Energy: 0.410716205659296
Energy: 0.5638685582650507
Energy: 0.45353763626490395
Energy: 0.47558854607306617
Energy: 0.45587020196401457
Energy: 0.42844522725780565
Energy: 0.5069082060962415
Energy: 0.5212474504779209
Energy: 0.4564887886940343
Energy: 0.4422607962463756
Energy: 0.4416276856575081
Energy: 0.47236772958027945
Energy: 0.4892924253094668
Energy: 0.48338269160621367
Energy: 0.46602159232337587
Energy: 0.4537622562062817
Energy: 0.46780565157756193
Energy: 0.4958372644470934
Energy: 0.5226031404306378
Energy: 0.45659071746720226
Energy: 0.4664986456822686
Energy: 0.473773049048822
Energy: 0.47112928765306855
Energy: 0.4567940990257376
Energy: 0.45805628469459597
Energy: 0.45991878039630596
Energy: 0.4273015261870825
Energy: 0.4687655086010842
Energy: 0.4985618992926881
Energy: 0.48446644089693724
Energy: 0.4685099259141763
Energy: 0.47664378776450067
Energy: 0.4592917774184339
Energy: 0.49686650365074697
Energy: 0.4942270697588318
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Energy: 0.46206615663003814
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Energy: 0.47294148828807975
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Energy: 0.45579409965831175
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Energy: 0.4674618581173758
Energy: 0.4731247232654554
Energy: 0.4574780461430358
Energy: 0.4486565355139072
Energy: 0.5602692342691211
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Energy: 0.46838454292056986
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Energy: 0.4885332295609306
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Energy: 0.5431739935579416
Energy: 0.4776794923104733
Energy: 0.6080234436900173
Energy: 0.5020866197390281
Energy: 0.48287485013289155
Energy: 0.4668770055902673
Energy: 0.44364996623976877
Energy: 0.6079315743779886
Energy: 0.48644083649816877
Energy: 0.48041007570127425
Energy: 0.4649658536470232
Energy: 0.4095858601782014
Energy: 0.4823687463468669
Energy: 0.5198519981697214
Energy: 0.4604560821916656
Energy: 0.45974889312673983
Energy: 0.4452278459945211
Energy: 0.5006503770297911
Energy: 0.5239302947322967
Energy: 0.46117475259305407
Energy: 0.46168180539775083
Energy: 0.470957698639597
Energy: 0.46697750865983684
Energy: 0.46567565720728915
Energy: 0.5019798000766462
Energy: 0.4564192821387868
Energy: 0.5473646825069626
Energy: 0.4784274466263674
Energy: 0.45564710727649654
Energy: 0.49844165565049975
Energy: 0.46729224508132045
Energy: 0.5471825119906842
Energy: 0.4613939052143196
Energy: 0.4981767407225992
Energy: 0.4933157944213057
Energy: 0.4711146491899892
Energy: 0.45936212224788675
Energy: 0.4581606452971852
Energy: 0.4388623156802541
Energy: 0.49389434911548213
Energy: 0.4729250988163521
Energy: 0.4843000828845251
Energy: 0.4702457156750514
Energy: 0.4554513343253634
Energy: 0.4724465767203916
Energy: 0.46918960138712906
Energy: 0.46775723525605767
Energy: 0.46956104169230595
Energy: 0.4466602907766526
Energy: 0.4695707799908098
Energy: 0.471605396112453
Energy: 0.480948862912351
Energy: 0.4705084094078489
Energy: 0.5600281308569183
Energy: 0.452672771537857
Energy: 0.4620127977237805
Energy: 0.4739838687640906
Energy: 0.45148421241938996
Energy: 0.559381793778806
Energy: 0.4684081562753024
Energy: 0.4610459057438816
Energy: 0.47196077771290346
Energy: 0.5707606473255322
Energy: 0.45632580228823966
Energy: 0.4856551935677947
Energy: 0.5013173652443746
Energy: 0.4908905925531619
Energy: 0.5692573315776874
Energy: 0.44237913442010973
Energy: 0.4628426414425775
Energy: 0.47516993526772666
Energy: 0.5087819023902319

minimum gb energy = 0.4095858601782014 eV
minimum distance =  2.55762022476088 Angstroms
sigma value = 41


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

Energy: 0.937418552582318
Energy: 0.43550064401287414
Energy: 0.43147506888862314
Energy: 0.39231513650162575
Energy: 0.41062804214718485
Energy: 0.37406595150317257
Energy: 0.3946764146740134
Energy: 0.4262458376006703
Energy: 0.3996709554011403
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Energy: 0.41594791220758986
Energy: 0.4639507569519391
Energy: 0.39314083705986036
Energy: 0.3880317090405909
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Energy: 0.3634631906847058
Energy: 0.40589179133343495
Energy: 0.4225323536682297
Energy: 0.4177066748340059
Energy: 0.4151435222171377
Energy: 0.40938173798931005
Energy: 0.44052835632743
Energy: 0.4398168760993048
Energy: 0.41003843343930213
Energy: 0.4244935311223542
Energy: 0.36306969666501193
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Energy: 0.4358911148684891
Energy: 0.42895447316428087
Energy: 0.45067124010439147
Energy: 0.4371229702658332
Energy: 0.40952635653968844
Energy: 0.4033801212066143
Energy: 0.4009516146685767
Energy: 0.4451914825779605
Energy: 0.3994738530094715
Energy: 0.40964689898864004
Energy: 0.4003685098969083
Energy: 0.4003000446778693
Energy: 0.4430999466734976
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Energy: 0.39901342388623867
Energy: 0.4135168486150758
Energy: 0.4155014854679829
Energy: 0.4133430121575794
Energy: 0.41904986556591467
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Energy: 0.41207431252755594
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Energy: 0.4214288892005969
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Energy: 0.41796095975569114
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Energy: 0.4301029837425293
Energy: 0.4116822113674789
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Energy: 0.38907351137381146
Energy: 0.4403908192553136
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Energy: 0.43576233151042937
Energy: 0.4209236847914089
Energy: 0.4245926904974883
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Energy: 0.44721696908202524
Energy: 0.44616434396614246
Energy: 0.41436146784561156
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Energy: 0.38679441571702133
Energy: 0.4338716925618445
Energy: 0.4361926659581104
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Energy: 0.37755962415968636
Energy: 0.4032127415216893
Energy: 0.42799430591803544
Energy: 0.40182127027140446
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Energy: 0.3867480002113274
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Energy: 0.4119931477507383
Energy: 0.40399339405146223
Energy: 0.3775166593537951
Energy: 0.38029716055499024
Energy: 0.4297260750711521
Energy: 0.3976997041309796
Energy: 0.38629930681099045
Energy: 0.3795755837634952
Energy: 0.39997832817160267
Energy: 0.40304652753209314
Energy: 0.40729715915142467
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Energy: 0.45424854005554227
Energy: 0.45195812330936586
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Energy: 0.42300014574018485
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Energy: 0.430306223422474
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Energy: 0.40601075783440965
Energy: 0.42387147311825113
Energy: 0.38493588479109714
Energy: 0.43832767173464215
Energy: 0.43948469839033644
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Energy: 0.3890031044444928
Energy: 0.4228227205547798
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Energy: 0.40224054489093153
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Energy: 0.41702221879985046
Energy: 0.4590199123087301
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Energy: 0.43216912980133343
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Energy: 0.4105411819643422
Energy: 0.41605578774649943
Energy: 0.44086527028686456
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Energy: 0.4225989877662196
Energy: 0.41068057488984694
Energy: 0.4360558729931791
Energy: 0.4596003613436899
Energy: 0.3891436018687201
Energy: 0.42776273266618037
Energy: 0.4105772222225748
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Energy: 0.40889726597277215
Energy: 0.41535961133680677
Energy: 0.42728561337616444
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Energy: 0.41302259879789505
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Energy: 0.4245044454303007
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Energy: 0.41891857946042366
Energy: 0.416730830317846
Energy: 0.48384542225021365
Energy: 0.44223348644122545
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Energy: 0.41479992817558314
Energy: 0.4106385525215287
Energy: 0.5008549854299713
Energy: 0.44111465352938695
Energy: 0.5124914241153755
Energy: 0.41204343755545136
Energy: 0.40894591614230147
Energy: 0.4272086496884989
Energy: 0.42544306769619816
Energy: 0.3841068887300701
Energy: 0.41156139581855666
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Energy: 0.4442678435510416
Energy: 0.4252276998854986
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Energy: 0.40901700087624004
Energy: 0.4224806466670438
Energy: 0.5149465503175766
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Energy: 0.4177606167766206
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Energy: 0.5049139907830101
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Energy: 0.40908426256945735
Energy: 0.42055471797691363
Energy: 0.4369672911726002
Energy: 0.4378583699249212
Energy: 0.43977897281161227
Energy: 0.44256653460041706
Energy: 0.42439802998265375
Energy: 0.41002311810206954
Energy: 0.4068712447821402
Energy: 0.4082331812819817
Energy: 0.38968832806562514
Energy: 0.41634000362484264
Energy: 0.41035783000700676
Energy: 0.40727441402179465
Energy: 0.38861489492422263
Energy: 0.4257431008429592
Energy: 0.4068115499523057
Energy: 0.4153284626457619
Energy: 0.43282420826171136
Energy: 0.38945967038356183
Energy: 0.42514893868892634
Energy: 0.407786378608488
Energy: 0.4153482596035473
Energy: 0.4403741428317965
Energy: 0.4185539018130229
Energy: 0.45268640331217613
Energy: 0.4260689464667748
Energy: 0.40471480833278634
Energy: 0.41881361112916365
Energy: 0.3948772289245737
Energy: 0.4099116183687802
Energy: 0.4177090004628542
Energy: 0.4346234007252579
Energy: 0.43090335130746504
Energy: 0.538570515901782
Energy: 0.41358711669143833
Energy: 0.45716631632552573
Energy: 0.4589856136635578
Energy: 0.3924217937062264
Energy: 0.46918341333685937
Energy: 0.3715535800427278
Energy: 0.42528946548110624
Energy: 0.43062466033168095
Energy: 0.38577658897389894

minimum gb energy = 0.36306969666501193 eV
minimum distance =  2.61966050977477 Angstroms
sigma value = 185


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

Energy: 0.18536505989326219
Energy: 0.23250720305693454
Energy: 0.23366452219929748
Energy: 0.2239942718219884
Energy: 0.14312725257989553
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Energy: 0.22914151261861623
Energy: 0.21383495756467585
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Energy: 0.14941077229357658
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Energy: 0.21960743683631165
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Energy: 0.23561748990202616
Energy: 0.25534035302377955
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Energy: 0.23635101188188742
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Energy: 0.2130407477425159
Energy: 0.1584757450565327
Energy: 0.2175880566671266
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Energy: 0.22223098981065145
Energy: 0.23085535477967023
Energy: 0.15796766958473374
Energy: 0.22138239564535112
Energy: 0.2662413117927729
Energy: 0.21684577685815493
Energy: 0.15818255318334593
Energy: 0.145304595430145
Energy: 0.22635307771858798
Energy: 0.2386346785022623
Energy: 0.21959003087272858
Energy: 0.14373135944622545
Energy: 0.14275925070086576
Energy: 0.23547054341449677
Energy: 0.23461833522371062
Energy: 0.21531955090338914
Energy: 0.22499992282004616
Energy: 0.21582353452191025
Energy: 0.23285465866699925
Energy: 0.24050708463092976
Energy: 0.24390688532498017
Energy: 0.21847748556842306
Energy: 0.21737563534440982
Energy: 0.23602281023961177
Energy: 0.23955450797688613
Energy: 0.23064126394861345
Energy: 0.18726550223279656
Energy: 0.218365483928852
Energy: 0.2370378787532884
Energy: 0.23599960168522296
Energy: 0.2327917143201186
Energy: 0.14262641574383256
Energy: 0.21755160223391862
Energy: 0.22692992634195672
Energy: 0.2250392465742835
Energy: 0.18663199741213143

minimum gb energy = 0.14255935729382163 eV
minimum distance =  2.65743278012566 Angstroms
sigma value = 33


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

Energy: 0.7541004932337887
Energy: 0.35511225875354263
Energy: 0.39562926044910424
Energy: 0.3627784519285996
Energy: 0.3455097245128435
Energy: 0.3460741139281573
Energy: 0.34805452393948355
Energy: 0.3848935460276994
Energy: 0.37146601087794945
Energy: 0.37239568770454284
Energy: 0.3661297656667168
Energy: 0.35379696252130843
Energy: 0.37261347503193054
Energy: 0.37333384100944433
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Energy: 0.34081325640735105
Energy: 0.3712741459046498
Energy: 0.3703996714172173
Energy: 0.37593359320458103
Energy: 0.36120593135330875
Energy: 0.35333152581925936
Energy: 0.3529145424005032
Energy: 0.42871977027001495
Energy: 0.3520090998631166
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Energy: 0.3477335602403136
Energy: 0.34771686821020076
Energy: 0.35984575210871017
Energy: 0.3516726384407939
Energy: 0.3804962484587538
Energy: 0.3741760256290027
Energy: 0.3890780409706789
Energy: 0.3586547701646589
Energy: 0.3753408637325076
Energy: 0.3942102523938111
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Energy: 0.38654727991500953
Energy: 0.3924046893408226
Energy: 0.46809408643633427
Energy: 0.3674168224294383
Energy: 0.3814222906655627
Energy: 0.37377795893951105
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Energy: 0.3675946986550177
Energy: 0.36745324244485994
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Energy: 0.3755902529643202
Energy: 0.4022718349867443
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Energy: 0.3714655110347716
Energy: 0.41184561117682483
Energy: 0.4263241133893797
Energy: 0.3853457551970752
Energy: 0.3751217856442695
Energy: 0.3623237526523411
Energy: 0.4143312682284893
Energy: 0.42694542435818184
Energy: 0.38506357404577785
Energy: 0.3742427952832118
Energy: 0.3620579176347819
Energy: 0.36164256247536564
Energy: 0.3680304873788041
Energy: 0.3649005985769925
Energy: 0.36212602354487816
Energy: 0.36121869563598935
Energy: 0.36141757003839003
Energy: 0.3777466078507978
Energy: 0.36534099026391714
Energy: 0.3620859057003907
Energy: 0.3612235027595407
Energy: 0.3620180279360991
Energy: 0.39314900786342766
Energy: 0.3735982724883896
Energy: 0.37492240406375454
Energy: 0.3784342097270545
Energy: 0.3616681396788911
Energy: 0.3859294519128275
Energy: 0.3736787152223199
Energy: 0.3716131656708348
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Energy: 0.3596713464921108
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Energy: 0.35868658121006736
Energy: 0.372136159607827

minimum gb energy = 0.34081325640735105 eV
minimum distance =  2.6119001964872 Angstroms
sigma value = 219


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

Energy: 0.687547931526179
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Energy: 0.44811018623850746
Energy: 0.4379855799698139
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Energy: 0.44557904378792473
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Energy: 0.446032743542228
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Energy: 0.4627776752570796
Energy: 0.4500630604687834
Energy: 0.4446864755406904
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Energy: 0.46002605375959416
Energy: 0.46385574552119213
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Energy: 0.44552440877967725
Energy: 0.42153191750288876
Energy: 0.4445960969786191
Energy: 0.4488186672003338
Energy: 0.44832058744393954
Energy: 0.4443251870336612
Energy: 0.42180961969959163
Energy: 0.43936541061586326
Energy: 0.44837113349717317
Energy: 0.44504560644496965
Energy: 0.4437385357635044

minimum gb energy = 0.41319691085956706 eV
minimum distance =  2.61239603868635 Angstroms
sigma value = 15


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

Energy: 0.6591214542039023
Energy: 0.5448783686382124
Energy: 0.5411923995068686
Energy: 0.501311960471826
Energy: 0.49631078794712113
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Energy: 0.5170215077530427
Energy: 0.5015790661728529
Energy: 0.5051119702030531
Energy: 0.5300604293075362
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minimum gb energy = 0.4881836253620869 eV
minimum distance =  2.59536896012459 Angstroms
sigma value = 293


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

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Energy: 0.627871806604099
Energy: 0.6146577808868797
Energy: 0.4889607943266434
Energy: 0.48632445768430876
Energy: 0.5282796647311128
Energy: 0.5567382023049464
Energy: 0.5054198481612828
Energy: 0.5465385987444207
Energy: 0.5009049053636447
Energy: 0.5435456411926145
Energy: 0.5243307052177729
Energy: 0.5648859912572437
Energy: 0.49869588073619386
Energy: 0.4987505145757057
Energy: 0.5416377924715644
Energy: 0.5056739318361143
Energy: 0.5681290892277042
Energy: 0.5270401270695514
Energy: 0.5208752806316745
Energy: 0.5328405445242327
Energy: 0.5625776641394977
Energy: 0.5611939818851431
Energy: 0.5419503041428714
Energy: 0.5215407470742522
Energy: 0.5283255125110019
Energy: 0.5619371619871294
Energy: 0.5632551586589395
Energy: 0.4987026276218734
Energy: 0.5213263352732894
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Energy: 0.5670708817938279
Energy: 0.6159545474613559
Energy: 0.5272074172874381
Energy: 0.48666683676208405
Energy: 0.48858981817508285
Energy: 0.471332208478486
Energy: 0.6149963219667052
Energy: 0.49008831032830324
Energy: 0.4867885348072321
Energy: 0.4884551957938767
Energy: 0.6317976571281694
Energy: 0.565583454900612
Energy: 0.5259509898137967
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Energy: 0.4862306540934526
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Energy: 0.5188650985882538
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Energy: 0.6218254159240238
Energy: 0.6095865715918499
Energy: 0.4871021789869881
Energy: 0.4906005756836815
Energy: 0.5444326042494586
Energy: 0.6260690614798354
Energy: 0.6106686360392387
Energy: 0.4889838502986352
Energy: 0.49158122163613555
Energy: 0.5267559070380947
Energy: 0.5336248948166431
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Energy: 0.4875913069919696
Energy: 0.4898572263343052
Energy: 0.5271508249369008
Energy: 0.4891653855942293
Energy: 0.4889878650708976
Energy: 0.4875023094395132
Energy: 0.48949979154198264
Energy: 0.6118243874229493
Energy: 0.628407971114818
Energy: 0.5265040377118647
Energy: 0.4868062671013859
Energy: 0.5099854552238917
Energy: 0.615211956895831
Energy: 0.6285053263103887
Energy: 0.526491543299082
Energy: 0.4866494084258144
Energy: 0.5042839559284916
Energy: 0.539165509380673
Energy: 0.5641659977328113
Energy: 0.5382023302756532
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Energy: 0.5016318768486187
Energy: 0.5262297636811036
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Energy: 0.5635042708103055
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Energy: 0.5271760665708914
Energy: 0.5598486735075017
Energy: 0.5647135717365743
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Energy: 0.5370785912067167
Energy: 0.5605131917346965
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Energy: 0.5340319951765305
Energy: 0.5139391372862668
Energy: 0.5629969414301595
Energy: 0.5611723457445222
Energy: 0.5430961072340867
Energy: 0.5748791258010064
Energy: 0.5121676262610314
Energy: 0.5630493497515082
Energy: 0.4861712218214712
Energy: 0.4886151628310191
Energy: 0.6148431171198055
Energy: 0.6164495761704001
Energy: 0.5361795268654537
Energy: 0.48661849354923997
Energy: 0.48903949100838034
Energy: 0.6175768570188789
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Energy: 0.4861762898059988
Energy: 0.4876147797679284
Energy: 0.48708382268915185
Energy: 0.4911240248050085
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Energy: 0.4877746296384338
Energy: 0.48737555694264806
Energy: 0.5070436581817497
Energy: 0.5258318094628838
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Energy: 0.48974063650091787
Energy: 0.558956170276739
Energy: 0.5578653911309576
Energy: 0.5074578036153571
Energy: 0.5264523081407957
Energy: 0.5054127296429847
Energy: 0.5590105396629971
Energy: 0.5575212357515603
Energy: 0.5074968709397447
Energy: 0.4900953865031599
Energy: 0.6020987542247869
Energy: 0.5863514540532178
Energy: 0.5135357714842059
Energy: 0.5192571861560747
Energy: 0.6168230264124733
Energy: 0.6370734802096399
Energy: 0.6184531602531123
Energy: 0.5138408839713346
Energy: 0.5309634504142345
Energy: 0.6169882328818317
Energy: 0.5776621418848799
Energy: 0.49023279782479023
Energy: 0.5278456106948806
Energy: 0.5436326324126544
Energy: 0.6177997682910473
Energy: 0.48651510037608053
Energy: 0.4904751417360955
Energy: 0.5269402530507377
Energy: 0.5449305874715383
Energy: 0.5648596063945797
Energy: 0.4866719564955504
Energy: 0.4879089749937008
Energy: 0.4907545081195026
Energy: 0.5625547350745227
Energy: 0.5230892606771932
Energy: 0.4862561697705275
Energy: 0.4866766519147976
Energy: 0.5259365924274584
Energy: 0.5380279991118957
Energy: 0.48804499683684227
Energy: 0.48873656712139885
Energy: 0.520933004574614
Energy: 0.5265820333229018
Energy: 0.6285416631553333
Energy: 0.6146415111283869
Energy: 0.4868393189612366
Energy: 0.5221778645330489
Energy: 0.5266278554280771
Energy: 0.6285375291630623
Energy: 0.5856649532476286
Energy: 0.5442522857185068
Energy: 0.5001697014939986
Energy: 0.5430372310657472
Energy: 0.5075019631198673
Energy: 0.563841332138731
Energy: 0.49951617642081647
Energy: 0.4988770524814937
Energy: 0.542820890033114
Energy: 0.5262085178634311
Energy: 0.5644604416199949
Energy: 0.526996513412119
Energy: 0.5213351930633627
Energy: 0.5372374671135884
Energy: 0.5627092419717064
Energy: 0.5615836449868099
Energy: 0.5885501919241461
Energy: 0.5212024914792109
Energy: 0.5372267021673872
Energy: 0.5620109252735213
Energy: 0.5610289336303566
Energy: 0.6154979709805158
Energy: 0.5053390773374627
Energy: 0.5640601011576264
Energy: 0.5630284732124834
Energy: 0.5265810686322909
Energy: 0.615678591224347
Energy: 0.4891566718021254
Energy: 0.5632492803830068
Energy: 0.4882926577541772
Energy: 0.5103620317084377

minimum gb energy = 0.471332208478486 eV
minimum distance =  2.59870466685751 Angstroms
sigma value = 293


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

Energy: 0.46326543751122456
Energy: 0.5615238934200019
Energy: 0.5350193842815896
Energy: 0.6018814328049015
Energy: 0.5385706997113129
Energy: 0.4643811566287593
Energy: 0.5617433071614469
Energy: 0.5362095557724201
Energy: 0.6012389853041443
Energy: 0.4645402008563793
Energy: 0.579676918200906
Energy: 0.5350018735902455
Energy: 0.5351379141323424
Energy: 0.6012447818827809
Energy: 0.6006049593283528
Energy: 0.5801260313624236
Energy: 0.5346791397069831
Energy: 0.5403300079763781
Energy: 0.6021684676504073
Energy: 0.6007173262535159
Energy: 0.5619642298581088
Energy: 0.5353493925651749
Energy: 0.5343062324134347
Energy: 0.5362683171484657
Energy: 0.5807929135198977
Energy: 0.5616836594904908
Energy: 0.5350793028340797
Energy: 0.5344343150428954
Energy: 0.5364001906744168
Energy: 0.5372019641794236
Energy: 0.5815266513725947
Energy: 0.46412585478782165
Energy: 0.4641893127460501
Energy: 0.6009400852867828
Energy: 0.5826183964370276
Energy: 0.5814517958566112
Energy: 0.4642663856213298
Energy: 0.4641097218428207
Energy: 0.6011314756758368
Energy: 0.5313741956497147
Energy: 0.601140867253223
Energy: 0.54006682205339
Energy: 0.46382566087238286
Energy: 0.47803283270806085
Energy: 0.535183143510396
Energy: 0.6008494439123245
Energy: 0.46384294546091076
Energy: 0.46401235379965106
Energy: 0.47805390826102084
Energy: 0.5354709655710977
Energy: 0.6010486825584042
Energy: 0.5357596805217955
Energy: 0.5617829670865324
Energy: 0.5357722504081113
Energy: 0.5957535333263588
Energy: 0.6011955779508835
Energy: 0.5356183025348921
Energy: 0.5614439997252704
Energy: 0.5348185708712709
Energy: 0.5959682712676239
Energy: 0.5821928426359949
Energy: 0.46991769814823103
Energy: 0.562084364751262
Energy: 0.5353730001163504
Energy: 0.4780002674972525
Energy: 0.5823771801597898
Energy: 0.46896854722089837
Energy: 0.5622713560315494
Energy: 0.5352695127624623
Energy: 0.4776196615455783
Energy: 0.5623796865174212
Energy: 0.5803678790795801
Energy: 0.5358407430747427
Energy: 0.46362358435815904
Energy: 0.5408845992469334
Energy: 0.5622760763504373
Energy: 0.5812125757227723
Energy: 0.47889401110161894
Energy: 0.4636780936372531
Energy: 0.5385585909031528
Energy: 0.5350990948618012
Energy: 0.5393990900129555
Energy: 0.6011646952203924
Energy: 0.4641755880980979
Energy: 0.5812964644481468
Energy: 0.5350184770831222
Energy: 0.6016800596770984
Energy: 0.600909535984036
Energy: 0.4639773871252267
Energy: 0.5824069059110483
Energy: 0.5350664562310146
Energy: 0.4785617600391858
Energy: 0.5816543849447315
Energy: 0.5621297045128792
Energy: 0.5622667194977455
Energy: 0.5352868352661787
Energy: 0.4783978852086555
Energy: 0.5813712183127969
Energy: 0.5624869805820981
Energy: 0.5351962199047611
Energy: 0.4642364797197898
Energy: 0.5626209839798153
Energy: 0.562204288389263
Energy: 0.5617964073329752
Energy: 0.5822047763247595
Energy: 0.4640493941471658
Energy: 0.5623774192735813
Energy: 0.5316754072672685
Energy: 0.5622329518869967
Energy: 0.5821478260736515
Energy: 0.4634252997122377
Energy: 0.5615437647157273
Energy: 0.535669759814201
Energy: 0.6027140451772768
Energy: 0.5386629088564431
Energy: 0.464168997827811
Energy: 0.5618609222953194
Energy: 0.5358635174111726
Energy: 0.6015016521301345
Energy: 0.5387077902602838
Energy: 0.5797209680963302
Energy: 0.5349310393669819
Energy: 0.535087059364525
Energy: 0.6013744041018805
Energy: 0.6005878405558978
Energy: 0.5800764597257722
Energy: 0.534878017930929
Energy: 0.5398231687086061
Energy: 0.6022636451953582
Energy: 0.6006209959823445
Energy: 0.5618873347877309
Energy: 0.5352961631591949
Energy: 0.5343648576125178
Energy: 0.5363353146442745
Energy: 0.580965854537082
Energy: 0.56177135381495
Energy: 0.5352862322096491
Energy: 0.5345236270390882
Energy: 0.5362536948885261
Energy: 0.5375067451863291
Energy: 0.5362299823772931
Energy: 0.46389272412725974
Energy: 0.4640864234343399
Energy: 0.6008850481828698
Energy: 0.5367350291359753
Energy: 0.5813565802627927
Energy: 0.46387820980706523
Energy: 0.46385773169506117
Energy: 0.601209834026944
Energy: 0.5376737283431203
Energy: 0.6012229593101741
Energy: 0.5402025602718948
Energy: 0.46375340875091825
Energy: 0.4786147783611542
Energy: 0.5349258894292322
Energy: 0.6014736009533215
Energy: 0.4639681521042822
Energy: 0.4637914836223
Energy: 0.4788468909993323
Energy: 0.5352607263155855
Energy: 0.6010725676376225
Energy: 0.5355361040458435
Energy: 0.5616891895996046
Energy: 0.5357463864784463
Energy: 0.5396933894603781
Energy: 0.6012090882372984
Energy: 0.5345591392400203
Energy: 0.5614978205177499
Energy: 0.534598440743866
Energy: 0.5934929841896142
Energy: 0.5621474233210573
Energy: 0.4697256298841159
Energy: 0.5622818545372608
Energy: 0.535397592003115
Energy: 0.47790805407048365
Energy: 0.5618662635582803
Energy: 0.46894727426584026
Energy: 0.5624551522149758
Energy: 0.5354179086166768
Energy: 0.47948662878073056
Energy: 0.5622622896609114
Energy: 0.5804974323454599
Energy: 0.5818107721221829
Energy: 0.46392844932018706
Energy: 0.5405844619763684
Energy: 0.5622364678817936
Energy: 0.5811894023041987
Energy: 0.4789055056727914
Energy: 0.4638552157858848
Energy: 0.5386737460143224
Energy: 0.5348490364671635
Energy: 0.5937982989534896
Energy: 0.601285925903651
Energy: 0.4639546588092736
Energy: 0.5826708331305015
Energy: 0.5350390267383363
Energy: 0.6013514606182233
Energy: 0.6013113855487945
Energy: 0.46402809247413673
Energy: 0.5350449245334484
Energy: 0.5356698809804589
Energy: 0.4787432215596387
Energy: 0.5814638953456491
Energy: 0.5622113544277906
Energy: 0.5619660726832766
Energy: 0.5343850694709499
Energy: 0.47892225262120897
Energy: 0.5813738374004114
Energy: 0.5622177084817306
Energy: 0.5351705139010969
Energy: 0.4640710995079204
Energy: 0.5622142128153563
Energy: 0.5618937624412407
Energy: 0.5618705598933373
Energy: 0.5812427489106404
Energy: 0.4639119378954536
Energy: 0.5620643121351289
Energy: 0.531831438607241
Energy: 0.5620476056272554
Energy: 0.5808484013401675

minimum gb energy = 0.46326543751122456 eV
minimum distance =  2.60940383112501 Angstroms
sigma value = 15


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

Energy: 0.5478867935885648
Energy: 0.6101982662192111
Energy: 0.5685280377492432
Energy: 0.5491356834663086
Energy: 0.5824221029648793
Energy: 0.5122177296133543
Energy: 0.5467266789475917
Energy: 0.5651220733874429
Energy: 0.5494411054295869
Energy: 0.539669661245035
Energy: 0.5301655292461784
Energy: 0.5412158099307375
Energy: 0.5268101688765929
Energy: 0.5273822734514243
Energy: 0.5843794354373444
Energy: 0.5944464567683246
Energy: 0.5665702446409052
Energy: 0.5254001822078838
Energy: 0.5702779050887937
Energy: 0.5423045361146066
Energy: 0.5980904555422063
Energy: 0.6000085993683424
Energy: 0.5437719970711885
Energy: 0.5481144395175844
Energy: 0.5766265130506305
Energy: 0.5919961086845993
Energy: 0.59794199651714
Energy: 0.5686618346046617
Energy: 0.5388561376729524
Energy: 0.5618689865079722
Energy: 0.5659672987668789
Energy: 0.5112898021825922
Energy: 0.5778158937880481
Energy: 0.6139959005183264
Energy: 0.5718120206792677
Energy: 0.564002069903215
Energy: 0.5113566624065606
Energy: 0.5845960530420025
Energy: 0.5834097982262764
Energy: 0.5621596073397116
Energy: 0.59297619568932
Energy: 0.5753309518440306
Energy: 0.5541096293250032
Energy: 0.545292539844806
Energy: 0.6060136343213345
Energy: 0.5979386284023815
Energy: 0.5764329702656293
Energy: 0.5293798735435322
Energy: 0.5554743159551239
Energy: 0.596101857900284
Energy: 0.5918602991218012
Energy: 0.515016465020447
Energy: 0.5418202042468113
Energy: 0.6195406351231133
Energy: 0.6176563230266601
Energy: 0.5717244970127653
Energy: 0.514207249046287
Energy: 0.5420810271761255
Energy: 0.615515887645974
Energy: 0.6023027001746296
Energy: 0.5165355591305869
Energy: 0.514746219264024
Energy: 0.5171228347808936
Energy: 0.6197070228861812
Energy: 0.5785210577611904
Energy: 0.5126191886065816
Energy: 0.5144709201700478
Energy: 0.5170852981903518
Energy: 0.6341374084663447
Energy: 0.5722124601403351
Energy: 0.5669657861847904
Energy: 0.5131234463880324
Energy: 0.5153687518571849
Energy: 0.5533295970943827
Energy: 0.5655454309943475
Energy: 0.5654741601264016
Energy: 0.5123987463501117
Energy: 0.5230449175198855
Energy: 0.5758895312028546
Energy: 0.5900979298107802
Energy: 0.5502188245930721
Energy: 0.6157287156557063
Energy: 0.5943099001643275
Energy: 0.5745846003157723
Energy: 0.5239088870620076
Energy: 0.5507577765342825
Energy: 0.6150964318090466
Energy: 0.5969438739005164
Energy: 0.549858465416264
Energy: 0.5154333074959858
Energy: 0.5677242557198635
Energy: 0.5315584116643685
Energy: 0.5135516273711072
Energy: 0.5193613463007585
Energy: 0.5218726128633295
Energy: 0.5512749844155441
Energy: 0.5263022499616186
Energy: 0.5137144267538394
Energy: 0.5150333964891939
Energy: 0.5179073831103865
Energy: 0.5336441155504861
Energy: 0.5942981848636926
Energy: 0.5342488613076033
Energy: 0.5139220886351294
Energy: 0.5199066569126175
Energy: 0.5421065952434306
Energy: 0.5776762176738098
Energy: 0.5372567592380705
Energy: 0.5147849005713437
Energy: 0.5154199242385351
Energy: 0.5722369761035966
Energy: 0.5682360839498535
Energy: 0.5400501886985748
Energy: 0.5521200714779377
Energy: 0.5531443120442026
Energy: 0.5728149714763869
Energy: 0.5482587111957116
Energy: 0.5277718282386653
Energy: 0.558842413481976
Energy: 0.564883402373598
Energy: 0.5510087655351317
Energy: 0.5448468876561284
Energy: 0.5127722445481019
Energy: 0.5156105296863766
Energy: 0.5502437692912453
Energy: 0.5366309173985906
Energy: 0.5514107778777785
Energy: 0.5226792366364587
Energy: 0.5268713965407542
Energy: 0.5662892532202429
Energy: 0.5264544437190823
Energy: 0.5510708467641994
Energy: 0.5705290211074189
Energy: 0.55460274519503
Energy: 0.563016078761913
Energy: 0.5273369244922789
Energy: 0.5636936444216917
Energy: 0.5438715246250964
Energy: 0.5605713386461664
Energy: 0.5607109448409899
Energy: 0.5410950794769527
Energy: 0.5699631511882736
Energy: 0.5654647628544877
Energy: 0.5904224908298804
Energy: 0.5922848155340069
Energy: 0.5348589699094987
Energy: 0.5657312605298672
Energy: 0.5671158783849991
Energy: 0.591643382235648
Energy: 0.581416795066733
Energy: 0.6007262746646841
Energy: 0.5724728840327534
Energy: 0.5729623332292334
Energy: 0.572973900449731
Energy: 0.5726495157960768
Energy: 0.6081702423098261
Energy: 0.5664079760249278
Energy: 0.5714945403517717
Energy: 0.5716243152845889
Energy: 0.5217073234062866
Energy: 0.5560245646696784
Energy: 0.5600609837707808
Energy: 0.5990770278147495
Energy: 0.6163424234408637
Energy: 0.5777446108422569
Energy: 0.5637123729913893
Energy: 0.5576264488998663
Energy: 0.5959339868274312
Energy: 0.5948260612242534
Energy: 0.5531892574819165
Energy: 0.6264050338063507
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Energy: 0.6096703535852915
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Energy: 0.548273234462914
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Energy: 0.6031150332342619
Energy: 0.5363570945693356
Energy: 0.5106093082101738
Energy: 0.5881607528038049
Energy: 0.6046826237246765
Energy: 0.6040377280337988
Energy: 0.5357080008016354
Energy: 0.5138810341864823
Energy: 0.5161439867274364
Energy: 0.5511068171291483
Energy: 0.6102622359570288
Energy: 0.5310494230820819
Energy: 0.5134473512136466
Energy: 0.5209030878019663
Energy: 0.5724273459168765
Energy: 0.5501858703630108
Energy: 0.5339052249773989
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Energy: 0.5624386190521424
Energy: 0.5728930563467364
Energy: 0.5661078257602141
Energy: 0.5221064974388048
Energy: 0.5096972386124863
Energy: 0.5480262371973353
Energy: 0.5350432151058219
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Energy: 0.5239462031111537
Energy: 0.5251976140773588
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Energy: 0.5165835234999251
Energy: 0.5979338569408299
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Energy: 0.5697074267817077
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Energy: 0.5586709128852374
Energy: 0.5259879053150632
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Energy: 0.5121898131757655
Energy: 0.5261964523416137
Energy: 0.5431561260864942
Energy: 0.5440213093659758
Energy: 0.5416816983727182
Energy: 0.5637701211193661
Energy: 0.6004528560749337
Energy: 0.5545489396739338
Energy: 0.5403092965796772
Energy: 0.5461454736373889
Energy: 0.5629074237785211
Energy: 0.5985225536716924
Energy: 0.5710936039133963
Energy: 0.60509202674399
Energy: 0.5663997393872333
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Energy: 0.584535092727789
Energy: 0.5094461600756676
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Energy: 0.5642843211937485
Energy: 0.5652172439682308
Energy: 0.5936146194427304
Energy: 0.5093984023711232
Energy: 0.5761389101258877
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Energy: 0.5995923550003053
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Energy: 0.5580621191198548
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Energy: 0.6031939497479031
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Energy: 0.6046105696064036
Energy: 0.6202376566939858
Energy: 0.6181932275625808
Energy: 0.6038711446379552
Energy: 0.517260231980144
Energy: 0.5830256744126182
Energy: 0.6209077048518922
Energy: 0.6187922680555802
Energy: 0.6016474177461184
Energy: 0.5192120239554737
Energy: 0.5446512013186702
Energy: 0.6055058370811346
Energy: 0.5152734773176695
Energy: 0.5151744510910878
Energy: 0.5155751179981621
Energy: 0.5464178822951511
Energy: 0.59688386490105
Energy: 0.5147483947664706
Energy: 0.5155996439306255
Energy: 0.5173535194828534
Energy: 0.5150437806518239
Energy: 0.5737217554125706
Energy: 0.5935029591663513
Energy: 0.5137895723051809
Energy: 0.514013296096859
Energy: 0.5239878182380068
Energy: 0.575474685788106
Energy: 0.5953300334404319
Energy: 0.5143028183542955
Energy: 0.5143188509536555
Energy: 0.5836006739853304
Energy: 0.5574552598312663
Energy: 0.5124671202825417
Energy: 0.5224446343358697
Energy: 0.5704808889971752
Energy: 0.5923352978275238
Energy: 0.5713917683380927
Energy: 0.512949429884001
Energy: 0.5150822206079172
Energy: 0.5697135163339353
Energy: 0.5097198924098264
Energy: 0.5119219605543704
Energy: 0.599972159584054
Energy: 0.6148231068377932
Energy: 0.5679120403483169
Energy: 0.5166137524447446
Energy: 0.5155789300952904
Energy: 0.587012043851553
Energy: 0.6269035207445056
Energy: 0.5630907735877734
Energy: 0.5248859625622804
Energy: 0.5130576386458291
Energy: 0.5143635556461386
Energy: 0.5753749544754326
Energy: 0.5247858566505501
Energy: 0.5161486664234242
Energy: 0.5200521366227651
Energy: 0.5218180427065439
Energy: 0.5477443466109659
Energy: 0.5246205270879413
Energy: 0.5362623304156441
Energy: 0.5189777047089903
Energy: 0.5759671346953651
Energy: 0.5681217019028609
Energy: 0.5846558632890475
Energy: 0.5299046905325775
Energy: 0.5346696530857407
Energy: 0.5748431823430711
Energy: 0.5757827448802646
Energy: 0.6038083831852038
Energy: 0.537027050572298
Energy: 0.6110210760270738
Energy: 0.575054719142451
Energy: 0.5281795008999256
Energy: 0.6306308788975442
Energy: 0.5125433230812719
Energy: 0.5451427635364723
Energy: 0.5384550953462699
Energy: 0.5711528687280277
Energy: 0.6019057142675299

minimum gb energy = 0.5093984023711232 eV
minimum distance =  2.57221994914301 Angstroms
sigma value = 437


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

Energy: 0.6660940278971633
Energy: 0.5653947271572279
Energy: 0.5729139289709059
Energy: 0.5917549504577664
Energy: 0.5301943973451088
Energy: 0.6631488310112773
Energy: 0.5668081068424123
Energy: 0.5148128461110136
Energy: 0.5863396701581703
Energy: 0.5522845650161728
Energy: 0.5443411931326776
Energy: 0.5798484842854702
Energy: 0.5677950592482583
Energy: 0.572068281446732
Energy: 0.584372272559579
Energy: 0.5445361927160739
Energy: 0.5854075719917966
Energy: 0.5687092202016281
Energy: 0.5862274523756668
Energy: 0.5802124331992095
Energy: 0.5388173794702642
Energy: 0.5547265224149652
Energy: 0.5876976848941469
Energy: 0.5230360299996638
Energy: 0.5401652196253564
Energy: 0.539067915604666
Energy: 0.5876033641858615
Energy: 0.5786574176078877
Energy: 0.5401080589126486
Energy: 0.5427104637245656
Energy: 0.5397531846767735
Energy: 0.5251687863957242
Energy: 0.6587815630066718
Energy: 0.55235100330434
Energy: 0.5372276670708575
Energy: 0.5399890359968237
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Energy: 0.6580430206038439
Energy: 0.5617216256968339
Energy: 0.536866279102925
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Energy: 0.5684805328957265
Energy: 0.6049115794058834
Energy: 0.5422654179541755
Energy: 0.5505169080945641
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Energy: 0.5700752955133617
Energy: 0.6034834379028308
Energy: 0.5427049829306385
Energy: 0.4937010784615569
Energy: 0.5550357271182201
Energy: 0.5200398737320582
Energy: 0.5378382454561508
Energy: 0.5367210693167367
Energy: 0.6629865616002585
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Energy: 0.5041325959496917
Energy: 0.5497339826390192
Energy: 0.5357854085577823
Energy: 0.6662097797575108
Energy: 0.5381040994667897
Energy: 0.5351864016728176
Energy: 0.5401377441837372
Energy: 0.5535997097155023
Energy: 0.5799981325481405
Energy: 0.5378816975149847
Energy: 0.5433989558442295
Energy: 0.5397636104212554
Energy: 0.5638171670919525
Energy: 0.5804687351875818
Energy: 0.5757134440721368
Energy: 0.5379837873307122
Energy: 0.5045395629221081
Energy: 0.6178041707638818
Energy: 0.5801405469389789
Energy: 0.5499409022104372
Energy: 0.541717237658454
Energy: 0.5484055682809315
Energy: 0.5872050562094953
Energy: 0.5796147799483301
Energy: 0.5227617008915664
Energy: 0.6606083109819683
Energy: 0.5693203255176612
Energy: 0.5798119021668292
Energy: 0.5198940935298043
Energy: 0.5328553369162178
Energy: 0.658630676070618
Energy: 0.5716188740938767
Energy: 0.6009441659168692
Energy: 0.5194673835986616
Energy: 0.5646149161386665
Energy: 0.6206419139635547
Energy: 0.5614391168263233
Energy: 0.5134801675885274
Energy: 0.5706862417296259
Energy: 0.5899257740211624
Energy: 0.6195107475297996
Energy: 0.5620691554969973
Energy: 0.6266182720218868
Energy: 0.5701315829932636
Energy: 0.5052538536690415
Energy: 0.50779174745105
Energy: 0.5664668654062508
Energy: 0.6035827699548476
Energy: 0.5943995491997642
Energy: 0.5061751605241145
Energy: 0.5080257639921332
Energy: 0.5656388480893735
Energy: 0.6032950525223812
Energy: 0.5202596841714914
Energy: 0.5075347182368395
Energy: 0.5082667452014625
Energy: 0.5148195451038391
Energy: 0.5678679727406877
Energy: 0.5081076080827562
Energy: 0.5081815784563072
Energy: 0.513638033364072
Energy: 0.558414361553441
Energy: 0.5666359470893633
Energy: 0.508289183417257
Energy: 0.5074218884590039
Energy: 0.5034743968634613
Energy: 0.6145660682083455
Energy: 0.5867223388121778
Energy: 0.5673315313074856
Energy: 0.5098738572054942
Energy: 0.5464812173648945
Energy: 0.6146885445484768
Energy: 0.5826400130460325
Energy: 0.5669369844031242
Energy: 0.5367299417174283
Energy: 0.5659163373676318
Energy: 0.5608797698564087
Energy: 0.5152473713069544
Energy: 0.5141503696981605
Energy: 0.5772282861128364
Energy: 0.5657283245870527
Energy: 0.5611733196491624
Energy: 0.5158946478274725
Energy: 0.552813204335934

minimum gb energy = 0.4937010784615569 eV
minimum distance =  2.56827663018485 Angstroms
sigma value = 33