Model name: model_name=EAM_Dynamo_HaleWongZimmerman_2008PairMorse_PdAgH__MO_108983864770_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.08997417986393
cohesive_energy=2.8502318916679323
mass=107.8682
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.00674810039538e-20, 1.419446786715666e-19, 1.8592779184579797e-19, 2.23412316374862e-19, 2.55088950605676e-19, 2.8220739231276e-19, 3.05656849527984e-19, 3.2607338637504597e-19, 3.4398892549643398e-19, 3.59951411300976e-19, 3.7442387283589796e-19, 3.87657851832738e-19, 3.9969660706061396e-19, 4.1049047104387196e-19, 4.200106046031e-19, 4.2827943821117394e-19, 4.35353048050284e-19, 4.41298725539058e-19, 4.46183762096124e-19, 4.50065836080306e-19, 4.53002625850428e-19, 4.5504219670551e-19, 4.562342161212059e-19, 4.5662194286663395e-19, 4.56206979118428e-19, 4.54867559452404e-19, 4.52440261851894e-19, 4.48703985941406e-19, 4.43221337499858e-19, 4.35345037167114e-19, 4.24331674984998e-19, 4.0934972128046395e-19, 3.8946510707588997e-19, 3.6363481538254193e-19, 3.3074373126315597e-19, 2.8953414606004195e-19, 2.38498411560606e-19, 1.7577960504604198e-19, 9.89956102969188e-20, 5.031219153152159e-21, -1.099182892815504e-19, -2.50149440043054e-19, -4.2054733377548993e-19, -6.271608281428619e-19, -8.784157700633759e-19, -1.1865591977273279e-18, -1.568756831591394e-18, -2.05067393915562e-18, -2.67384054094992e-18, -3.50362384146486e-18, -4.6354815245541595e-18, -6.168620367395099e-18]
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: -5.85410000009112e-06 eV

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

Energy: 0.01051725389843183
Energy: 0.22710185887176768
Energy: 0.22663297403353796
Energy: 0.6349500154579755
Energy: 0.5480378102041167
Energy: 0.19715785375098505
Energy: 0.0110821450033226
Energy: 0.05701828816244633
Energy: 0.5500338451623767
Energy: 0.15758323821912915
Energy: 0.2269753792503818
Energy: 0.05743779433529672
Energy: 0.011233781264462993
Energy: 0.05783709260481862
Energy: 0.010768998674388505
Energy: 0.448635870593427
Energy: 0.34450044990402
Energy: 0.22660844772607575
Energy: 0.522638624696271
Energy: 0.056826125342355795
Energy: 0.05769284281652503
Energy: 0.01207576860369037
Energy: 0.22704666065456014
Energy: 0.22742037383245708
Energy: 0.6342594975204352
Energy: 0.548464649505231
Energy: 0.057063436349710686
Energy: 0.011180586401014405
Energy: 0.05711057099198371
Energy: 0.5500405473016388
Energy: 0.15753896259606276
Energy: 0.2266663220692157
Energy: 0.3956448742499475
Energy: 0.011105455970438683
Energy: 0.05772905963661552
Energy: 0.010749154311979557
Energy: 0.39559825519436026
Energy: 0.34386664195720523
Energy: 0.22682394055068447
Energy: 0.5236308035665445
Energy: 0.056770116007583
Energy: 0.057651109570789345

minimum gb energy = 0.01051725389843183 eV
minimum distance =  2.86538613471592 Angstroms
sigma value = 5


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

Energy: 0.7578829641608822
Energy: 0.8128700350316547
Energy: 0.7710639147883868
Energy: 0.7172534069366643
Energy: 0.6915266998226945
Energy: 0.7194187380781012
Energy: 0.6788457842452778
Energy: 0.6704806973064749
Energy: 0.7036820806818139
Energy: 0.6730274890663116
Energy: 0.706792813200152
Energy: 0.7120036327047431
Energy: 0.6776568257140541
Energy: 0.7315384154480378
Energy: 0.6762205693199415
Energy: 0.7129522872344463
Energy: 0.6837309119873001
Energy: 0.7223781881526763
Energy: 0.7309812950515991
Energy: 0.717132587605624
Energy: 0.6909144195374004
Energy: 0.6851656890439488
Energy: 0.7033265237078272
Energy: 0.6826479080408036
Energy: 0.7305783945820894
Energy: 0.7215428402764644
Energy: 0.6742012135122907
Energy: 0.71614551547206
Energy: 0.7170744395446674
Energy: 0.707610618711644
Energy: 0.7123368131963591
Energy: 0.6925346056781176
Energy: 0.7183796236709951
Energy: 0.6902262955780466
Energy: 0.6977822228389048
Energy: 0.6988467086494146
Energy: 0.7103977769062456
Energy: 0.6773553610124371
Energy: 0.6749996002513439
Energy: 0.7111986786664499
Energy: 0.6973889508014761
Energy: 0.6730300286326621
Energy: 0.6784042962917591
Energy: 0.6971517967649825
Energy: 0.7502938154249292
Energy: 0.700291381925549
Energy: 0.7019472576636974
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Energy: 0.7023116599224125
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Energy: 0.722504653744518
Energy: 0.7347369660822376
Energy: 0.6741384938737629
Energy: 0.6782695739492004
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Energy: 0.7341689875373117
Energy: 0.6883715536594475
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Energy: 0.7365595235843019
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Energy: 0.7015775779408537
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Energy: 0.6731118496161804
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Energy: 0.7449034105891769
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Energy: 0.6797922085557215
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Energy: 0.7151195294270002
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Energy: 0.716170842318342
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Energy: 0.7223856289152921
Energy: 0.7156072568475715
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Energy: 0.7022228933890983
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Energy: 0.6968845614804835
Energy: 0.718137848384258
Energy: 0.6990352822423102
Energy: 0.7239097954943225
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Energy: 0.7026260155228969
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Energy: 0.6982361603434943
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Energy: 0.6784931822233098
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Energy: 0.7596388028341773
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Energy: 0.683640448366916
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Energy: 0.716301881974343
Energy: 0.7109948598090254
Energy: 0.7276163655342641
Energy: 0.7359685236336276
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Energy: 0.7128535918810714
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Energy: 0.7590939557452764
Energy: 0.7417924257226287
Energy: 0.7093206749319738
Energy: 0.7293922551462796
Energy: 0.6735781451154564
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Energy: 0.6949145837610521
Energy: 0.6816625236587318
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Energy: 0.767150959673042
Energy: 0.7120924964575522
Energy: 0.7166199996598909
Energy: 0.7128035922234507
Energy: 0.7067520996929277
Energy: 0.7005001841871853
Energy: 0.7188962464789692
Energy: 0.6907993685009216
Energy: 0.7648064433465989
Energy: 0.6706490905702254
Energy: 0.711751767237228
Energy: 0.7425238665263099
Energy: 0.7079935092788471
Energy: 0.7138692965101704
Energy: 0.805351623818394
Energy: 0.709108760384159
Energy: 0.7155792226455356
Energy: 0.6871275920562941
Energy: 0.7265439954085929
Energy: 0.6881927863556478
Energy: 0.6876683466199026
Energy: 0.6909978055428514
Energy: 0.7232534186405181
Energy: 0.6745672566404542
Energy: 0.6871692702582534
Energy: 0.7349600645445493
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Energy: 0.7299198713410985
Energy: 0.7132656224406768
Energy: 0.7970001509593868
Energy: 0.6867520415671166
Energy: 0.7198690130078084
Energy: 0.7050745934000577

minimum gb energy = 0.6667703434247698 eV
minimum distance =  2.64244230364022 Angstroms
sigma value = 401


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

Energy: 0.7506742834911388
Energy: 0.8177174860253343
Energy: 0.7246255746740738
Energy: 0.6909048114044788
Energy: 0.7623291986326145
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Energy: 0.730971295999991
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Energy: 0.6694730957771141
Energy: 0.6733271356250657
Energy: 0.7140222425818801
Energy: 0.7427438537986124
Energy: 0.721343921604488
Energy: 0.6877126481487172
Energy: 0.6745056716352235
Energy: 0.6685629377771207
Energy: 0.6939362786975858
Energy: 0.7356988644730906
Energy: 0.7221559503455474
Energy: 0.7317872242378441
Energy: 0.7002835766632596
Energy: 0.6805648658560418
Energy: 0.6920514414466566
Energy: 0.7398025804428288
Energy: 0.7230229201512891
Energy: 0.6943972763212183
Energy: 0.7037260142276086
Energy: 0.7108191813161863
Energy: 0.7045499109245424
Energy: 0.709903146955014
Energy: 0.7476091890916478
Energy: 0.7052644038280064
Energy: 0.7164811513127803
Energy: 0.7238734046789881
Energy: 0.708759665599988
Energy: 0.6878364297110658
Energy: 0.7592297918453097
Energy: 0.6799191667119489
Energy: 0.698883650993946
Energy: 0.684751279273984
Energy: 0.7011368028035309
Energy: 0.7113023539596837
Energy: 0.7021498478551691
Energy: 0.6816265839506277
Energy: 0.6935309113856867
Energy: 0.6853160407488125
Energy: 0.683531839603133
Energy: 0.7068903132035801
Energy: 0.7173877356961922
Energy: 0.6966178018165575
Energy: 0.698994056779205
Energy: 0.6973966171019333
Energy: 0.6865273007346641
Energy: 0.6828863644731951
Energy: 0.6879075753072103
Energy: 0.7042040486473012
Energy: 0.6743387048299498
Energy: 0.6732981257501072
Energy: 0.7432995653205522
Energy: 0.6993257924690734
Energy: 0.6833039942305215
Energy: 0.7180735031965056
Energy: 0.6812979532186925
Energy: 0.6924717012078575
Energy: 0.7029631812769304
Energy: 0.7546565252258699
Energy: 0.7307689549874317
Energy: 0.6926163823050867
Energy: 0.7210339120097224
Energy: 0.7023712073451716
Energy: 0.6871073928481726
Energy: 0.6868259005363755
Energy: 0.7002464525576869
Energy: 0.7573211188266198
Energy: 0.7862086711409317
Energy: 0.7299557681073072
Energy: 0.7059843341594283
Energy: 0.7224296308684439
Energy: 0.6703207726054442
Energy: 0.6731011283285839
Energy: 0.7618342898096895
Energy: 0.7212306142642226
Energy: 0.7642693932391642
Energy: 0.6858697555311399
Energy: 0.6889792953487223
Energy: 0.6684965006375666
Energy: 0.693644020441545
Energy: 0.754636140931377
Energy: 0.6964153378278751
Energy: 0.7038927182293295
Energy: 0.6817393601635108
Energy: 0.6968699600702912
Energy: 0.6732346573899913
Energy: 0.7473125085985799
Energy: 0.7320252206811367
Energy: 0.7090458673389014
Energy: 0.6975132746724502
Energy: 0.7178997224498995
Energy: 0.6953513591119157
Energy: 0.7090894810656506
Energy: 0.741754303996076
Energy: 0.7098455573794943
Energy: 0.7012529094000909
Energy: 0.7077629323948349
Energy: 0.7088999866317922
Energy: 0.6902194427572746
Energy: 0.7106200339290923
Energy: 0.7080938649179298
Energy: 0.6867923159227198
Energy: 0.6879767316041612
Energy: 0.6905038920720781
Energy: 0.694384982989254
Energy: 0.7155292919957587
Energy: 0.6905643240507069
Energy: 0.708153756787466
Energy: 0.7088213250127448

minimum gb energy = 0.6675525265916596 eV
minimum distance =  2.63313293884567 Angstroms
sigma value = 311


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

Energy: 0.7693316785563511
Energy: 0.679733617522938
Energy: 0.7619104899113801
Energy: 0.685112877653763
Energy: 0.7453553977181461
Energy: 0.717761165504269
Energy: 0.6969020764574424
Energy: 0.6919180450616975
Energy: 0.7067555170787514
Energy: 0.6979855369026826
Energy: 0.6996725545816116
Energy: 0.6899849846666722
Energy: 0.6921853043043181
Energy: 0.7245876650454565
Energy: 0.7185508522419589
Energy: 0.680888365004358
Energy: 0.6902220150874131
Energy: 0.7089837091207695
Energy: 0.6910704359206625
Energy: 0.6985667735706078
Energy: 0.6891671536557422
Energy: 0.7101060603042114
Energy: 0.776056765797396
Energy: 0.7093275439610934
Energy: 0.7882358396203284
Energy: 0.7338157670927566
Energy: 0.6940840936836972
Energy: 0.7394131410298593
Energy: 0.7167457014272157
Energy: 0.6927833845425327
Energy: 0.6938973768589891
Energy: 0.7118708282577777
Energy: 0.6934528544131844
Energy: 0.7128296340771251
Energy: 0.6927922413652895
Energy: 0.6844373321106092
Energy: 0.7011138460056917
Energy: 0.688169902312499
Energy: 0.681766469203238
Energy: 0.7044545996066134
Energy: 0.682864630861233
Energy: 0.7265598161075896
Energy: 0.7633050077309675
Energy: 0.703810553108686
Energy: 0.762815123125165
Energy: 0.6828396553923267
Energy: 0.6878545041227351
Energy: 0.7122438138842736
Energy: 0.6945836552030793
Energy: 0.6917145648438002
Energy: 0.7027847154148039
Energy: 0.6915996996038138
Energy: 0.7337333451090874
Energy: 0.7376874166126297
Energy: 0.6927742807013133
Energy: 0.7272407412019404
Energy: 0.7324964879611363
Energy: 0.6808467202980848
Energy: 0.7360580894917597
Energy: 0.6980578339930456
Energy: 0.6911173294044347
Energy: 0.6861773033282726
Energy: 0.6894687337752361
Energy: 0.6962600364511357
Energy: 0.7751171336277572
Energy: 0.7096562087707678
Energy: 0.7758748303517109
Energy: 0.7325445971638161
Energy: 0.6945066239593648
Energy: 0.7030111438106982
Energy: 0.7164337488071465
Energy: 0.6800719430573281
Energy: 0.6943385206754961
Energy: 0.7229459097509688
Energy: 0.6924431073153423
Energy: 0.7126751159141875
Energy: 0.7066202764843911
Energy: 0.6849467647848777
Energy: 0.7240690313715743
Energy: 0.6887767182359145
Energy: 0.6817388716642411
Energy: 0.6939892516284871
Energy: 0.6829480005003655
Energy: 0.7026224275303762
Energy: 0.7632374387517689
Energy: 0.6952277905326157
Energy: 0.762132810626968
Energy: 0.6827439937734846
Energy: 0.706848721043853
Energy: 0.7076203593428307
Energy: 0.6944754300978069
Energy: 0.6921299403718245
Energy: 0.7458222807332084
Energy: 0.6906314748987136
Energy: 0.7332877059984982
Energy: 0.7372905071049698
Energy: 0.7427254615620893
Energy: 0.7757654882773638
Energy: 0.7042260263642075
Energy: 0.6804397964412291
Energy: 0.7173737002931005
Energy: 0.6940977044521623
Energy: 0.7354044846167337
Energy: 0.683638344125511
Energy: 0.6721383321338286
Energy: 0.696576837373954
Energy: 0.7244098402745347
Energy: 0.6960325422989475
Energy: 0.7098392985079381
Energy: 0.7327119326809565
Energy: 0.6817073922307252
Energy: 0.7057904902191812
Energy: 0.716140418958604
Energy: 0.6808423566991137
Energy: 0.6940894656862462
Energy: 0.7662535540364722
Energy: 0.6923011288165879
Energy: 0.7206550443646902
Energy: 0.7029192021782493
Energy: 0.6829446812351269
Energy: 0.724035341251017
Energy: 0.6942568025610052
Energy: 0.6876245971586374
Energy: 0.6938105158904342
Energy: 0.6878927135133329
Energy: 0.7027207646507305
Energy: 0.7626884428384249
Energy: 0.6945711833711514
Energy: 0.745819165451623
Energy: 0.6827736663487508
Energy: 0.7428547497471231
Energy: 0.6870953214932444
Energy: 0.7359144984480704
Energy: 0.7420953283329907
Energy: 0.6858983141246918
Energy: 0.6909442519796051
Energy: 0.7328149381393878
Energy: 0.737040036248152
Energy: 0.7424567734970088
Energy: 0.7405559550683165
Energy: 0.7047847125551225
Energy: 0.6813911714780602
Energy: 0.6870134052742655
Energy: 0.6896918448793945
Energy: 0.7009051331446474
Energy: 0.6820898128038942
Energy: 0.7051023389927892
Energy: 0.6928240394436431
Energy: 0.7238818666149882
Energy: 0.694271857509939
Energy: 0.6808591373741576
Energy: 0.6989223813778589
Energy: 0.6788411642151143
Energy: 0.705732323405965
Energy: 0.7015071636396459
Energy: 0.681039893280356
Energy: 0.692315003258994
Energy: 0.7079126631173134
Energy: 0.6906559788953341
Energy: 0.7159980820695961
Energy: 0.6887051214081185
Energy: 0.6838506829355595
Energy: 0.7262336927616476
Energy: 0.6960015283520917
Energy: 0.6983043441368454
Energy: 0.6968219161927213
Energy: 0.6886584415063154
Energy: 0.7024012651110506
Energy: 0.7618202335594475
Energy: 0.6831325681163783
Energy: 0.7514855593424228
Energy: 0.6830811280385303
Energy: 0.7495271742566124
Energy: 0.6872756992956027
Energy: 0.7038227485299547
Energy: 0.742961725867618
Energy: 0.7071396787269564
Energy: 0.6904809075225125
Energy: 0.7878987198803012
Energy: 0.7370129175780717
Energy: 0.7539670136099558
Energy: 0.740374054052717
Energy: 0.7052364571874293
Energy: 0.6902550021329739
Energy: 0.7049812796135643
Energy: 0.6887048067556434
Energy: 0.6800949131221948
Energy: 0.6881282878098299
Energy: 0.6843662067850382
Energy: 0.6850297285536225
Energy: 0.7233940102988408
Energy: 0.6897547525617905
Energy: 0.6806741323008518
Energy: 0.7167379462193977
Energy: 0.6787499358878354
Energy: 0.6824025804126764
Energy: 0.693836560437744
Energy: 0.6812773437836136
Energy: 0.6912820337953789
Energy: 0.7189389574239723
Energy: 0.6893928981192585
Energy: 0.7182804118302
Energy: 0.7017871811129355
Energy: 0.6838756420785761
Energy: 0.7244188430524374
Energy: 0.7384141925932863
Energy: 0.7271885231816593
Energy: 0.712880995710993
Energy: 0.7036897372605145
Energy: 0.7021708188711981
Energy: 0.7617307667984017
Energy: 0.6818506990641041
Energy: 0.7292002409036933
Energy: 0.7013343573773132
Energy: 0.6938473289908789
Energy: 0.6854575630675918
Energy: 0.6904798831665387
Energy: 0.709339144411131
Energy: 0.7011795315017686
Energy: 0.6905985246367412
Energy: 0.7881499063094901
Energy: 0.7375936068853773
Energy: 0.7551946449520351
Energy: 0.7043932283919999
Energy: 0.7056554993120243
Energy: 0.6913146156942205
Energy: 0.6896960182315711
Energy: 0.6895862052398617
Energy: 0.6935165191447785
Energy: 0.687927589084788
Energy: 0.7006339555843588
Energy: 0.6847958829640682
Energy: 0.7005535838666336
Energy: 0.6896723080004977
Energy: 0.6809122442763148
Energy: 0.7023656860969989
Energy: 0.6859551265932889
Energy: 0.6829878289234448
Energy: 0.6938151931643187
Energy: 0.7022345633997785
Energy: 0.6906702188980655
Energy: 0.7177684800981837
Energy: 0.688549406699116
Energy: 0.7540531060617905
Energy: 0.7047587539844822
Energy: 0.6839940541045163
Energy: 0.7355291568682919
Energy: 0.752456216502278
Energy: 0.7400136374957548
Energy: 0.7040357326395317
Energy: 0.7096543873039316
Energy: 0.7010237926523053

minimum gb energy = 0.6721383321338286 eV
minimum distance =  2.63646642662814 Angstroms
sigma value = 39


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

Energy: 0.6416439679690547
Energy: 0.8185995042042791
Energy: 0.8766655845501575
Energy: 0.7945792723456324
Energy: 0.7069015089836839
Energy: 0.7336437519111343
Energy: 0.6314985991625194
Energy: 0.6863631271227308
Energy: 0.7064531108989385
Energy: 0.7326298510146361
Energy: 0.712721491537044
Energy: 0.6763580935488331
Energy: 0.6864194815913113
Energy: 0.693903717184881
Energy: 0.6859457912773304
Energy: 0.6768526089987232
Energy: 0.6790334341105592
Energy: 0.7073975100956651
Energy: 0.6765455289766276
Energy: 0.6881049929788127
Energy: 0.6879392904580733
Energy: 0.6806696128470883
Energy: 0.6806307034045979
Energy: 0.7311364078339613
Energy: 0.6803578674554492
Energy: 0.7145194298259979
Energy: 0.6838517827791697
Energy: 0.7360259829168133
Energy: 0.6888129354305627
Energy: 0.6759841508140032
Energy: 0.7495600010345991
Energy: 0.6809606689768615
Energy: 0.7210981803000902
Energy: 0.6834586449958725
Energy: 0.689569644726696
Energy: 0.6307627585734024
Energy: 0.6762752811594949
Energy: 0.6791012308730204
Energy: 0.6662883496485688
Energy: 0.7067915262415702
Energy: 0.686996445329532
Energy: 0.6946541038283052
Energy: 0.6806849454531931
Energy: 0.697590511058502
Energy: 0.6769203562891016
Energy: 0.7148530054161658
Energy: 0.6328853415638954
Energy: 0.6338455536966638
Energy: 0.6826259289155723
Energy: 0.6327533278448285
Energy: 0.7093716076528295
Energy: 0.739954634405015
Energy: 0.6674122381273917
Energy: 0.7481913262071308
Energy: 0.6812587743980696
Energy: 0.695801682222308
Energy: 0.6330429285055904
Energy: 0.7091170690861567
Energy: 0.8655287277200693
Energy: 0.6677043974038827
Energy: 0.6752324915827357
Energy: 0.6894553681429783
Energy: 0.6945447048857065
Energy: 0.6808655658309891
Energy: 0.6974171230960615
Energy: 0.6843045721512498
Energy: 0.7058790327998049
Energy: 0.6773592728583803
Energy: 0.6862838498796363
Energy: 0.6869871024451656
Energy: 0.6809594833028622
Energy: 0.6676910331713597
Energy: 0.6763430504411059
Energy: 0.6670030403373528
Energy: 0.6751571563477667
Energy: 0.6980028055686284
Energy: 0.7458830790750695
Energy: 0.6991811095412249
Energy: 0.6777858920940953
Energy: 0.6657779255456931
Energy: 0.6666897443504093
Energy: 0.7137771664733232
Energy: 0.6829619617299542
Energy: 0.690434744790074
Energy: 0.6324825321337033
Energy: 0.6756644913598808
Energy: 0.7497297030749036
Energy: 0.683776919178452
Energy: 0.7414620016754869
Energy: 0.6840353090655212
Energy: 0.6882402345817442
Energy: 0.6880107921154772
Energy: 0.6772351532740093
Energy: 0.6793725606844848
Energy: 0.7073856434836766
Energy: 0.6322707354657341
Energy: 0.6320682427988935
Energy: 0.6836806214972795
Energy: 0.6396145577446699
Energy: 0.6962154746651796
Energy: 0.6763485409908184
Energy: 0.7166983918407792
Energy: 0.6313034161077272
Energy: 0.6321927405779214
Energy: 0.6845821782725577
Energy: 0.6315424846323068
Energy: 0.6665113456389702
Energy: 0.713444289240812
Energy: 0.6814905688467359
Energy: 0.7072351058781934
Energy: 0.732961320456795
Energy: 0.6315329474060994
Energy: 0.6854233497595733
Energy: 0.7055265547780114
Energy: 0.7327686285371141
Energy: 0.7128852138757814
Energy: 0.6764472312581321
Energy: 0.6862346636769513
Energy: 0.6938925088664812
Energy: 0.6863923862896396
Energy: 0.6684383804177041
Energy: 0.6788533840823564
Energy: 0.7073346429287705
Energy: 0.6767638145934038
Energy: 0.6883607109302028
Energy: 0.6883055372577239
Energy: 0.6805526815966784
Energy: 0.6672929217447391
Energy: 0.7312805378151456
Energy: 0.6806005788749151
Energy: 0.7143441940582878
Energy: 0.6838326612807001
Energy: 0.7362445896228724
Energy: 0.6882312831240542
Energy: 0.675247348708742
Energy: 0.7498592593764689
Energy: 0.6811375502646148
Energy: 0.7223075850543105
Energy: 0.683473354452538
Energy: 0.690077428113831
Energy: 0.6307311258861235
Energy: 0.6764226486722525
Energy: 0.6791248438752557
Energy: 0.6663104466994931
Energy: 0.7073059841624251
Energy: 0.6311611849061104
Energy: 0.6941372543917853
Energy: 0.6805878874115351
Energy: 0.6969572551264163
Energy: 0.6767113499215685
Energy: 0.7146032529153113
Energy: 0.6330569393533447
Energy: 0.6340006109691846
Energy: 0.6825365632517666
Energy: 0.6324502162620161
Energy: 0.7091947367861215
Energy: 0.8612760355468063
Energy: 0.6673521271491365
Energy: 0.747832098713455
Energy: 0.6816775500015584
Energy: 0.6940447700326212
Energy: 0.6333840372371236
Energy: 0.7088475210587649
Energy: 0.762460231109259
Energy: 0.6681112740300825
Energy: 0.6752326001966877
Energy: 0.6784658152570595
Energy: 0.6944361258596606
Energy: 0.681155810202893
Energy: 0.6989623506807701
Energy: 0.6838378943759338
Energy: 0.7059760257731634
Energy: 0.6781111934410344
Energy: 0.6865096006380182
Energy: 0.6872185165613985
Energy: 0.681330937951149
Energy: 0.667761593612449
Energy: 0.6765036908410016
Energy: 0.6665626088288027
Energy: 0.675014520755325
Energy: 0.6791561974157436
Energy: 0.7338311951264271
Energy: 0.6992329296553936
Energy: 0.6776103274123713
Energy: 0.6658358360200587
Energy: 0.6669239835517194
Energy: 0.7139359694224932
Energy: 0.6831520413923735
Energy: 0.6903994370727933
Energy: 0.6329387512676828
Energy: 0.675748741375445
Energy: 0.7495281155101262
Energy: 0.6836704096096436
Energy: 0.7411578795685808
Energy: 0.682856583207784
Energy: 0.6884037507206718
Energy: 0.6879318264801768
Energy: 0.6773054196027125
Energy: 0.6792592547596589
Energy: 0.7070929265601538
Energy: 0.6321724223622873
Energy: 0.6323038881497091
Energy: 0.683490417250347
Energy: 0.6313230237102055
Energy: 0.6963404595760997
Energy: 0.6763180076905363
Energy: 0.6679846547723978
Energy: 0.6312375216463051
Energy: 0.6313231931239105
Energy: 0.6857020711131481

minimum gb energy = 0.6307311258861235 eV
minimum distance =  2.69439397333319 Angstroms
sigma value = 21


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

Energy: 0.872552753550106
Energy: 0.7621630271435539
Energy: 0.6921066020569527
Energy: 0.9269588558459252
Energy: 0.7559750335994276
Energy: 0.7235134471975363
Energy: 0.7741138087568044
Energy: 0.7223870694920369
Energy: 0.6673195920746583
Energy: 0.7362663078422845
Energy: 0.6767082444435247
Energy: 0.6333435669880425
Energy: 0.6778335314818649
Energy: 0.7009735693514421
Energy: 0.6752350650420847
Energy: 0.6684984034136188
Energy: 0.69855963623329
Energy: 0.7377084472692481
Energy: 0.6866265612454276
Energy: 0.6826305441963596
Energy: 0.7020647722408702
Energy: 0.7519568503727776
Energy: 0.6641685978767755
Energy: 0.7004886450700942
Energy: 0.6876333130496288
Energy: 0.6801306133959146
Energy: 0.6632578112581171
Energy: 0.72438009794532
Energy: 0.6599170903194264
Energy: 0.6583193636678912
Energy: 0.6865818665868616
Energy: 0.6451130833703376
Energy: 0.6465470317744836
Energy: 0.6658178363908595
Energy: 0.6824697954554919
Energy: 0.6733074809756966
Energy: 0.679618871425958
Energy: 0.7858554796738217
Energy: 0.6766176802520043
Energy: 0.672995385110705
Energy: 0.6699980347822021
Energy: 0.6827938189269668
Energy: 0.7572349063304922
Energy: 0.6751490898893333
Energy: 0.7037275146349342
Energy: 0.6831243383477041
Energy: 0.6727838081376557
Energy: 0.6681597771675638
Energy: 0.6762511990150892
Energy: 0.6957829922652262
Energy: 0.6605943221016372
Energy: 0.6763271308892167
Energy: 0.6770245126033809
Energy: 0.641919782401975
Energy: 0.6855709716301418
Energy: 0.6858319750996199
Energy: 0.6727810657942719
Energy: 0.6726573726393099
Energy: 0.7368435294614023
Energy: 0.6856284468655127
Energy: 0.671501333827492
Energy: 0.7060664676953787
Energy: 0.6602426410322398
Energy: 0.8032535758358127
Energy: 0.7571259907802192
Energy: 0.6693780600394352
Energy: 0.6912159933789505
Energy: 0.6978345947217354
Energy: 0.6701806076922003
Energy: 0.7588275497685304
Energy: 0.6814854400353624
Energy: 0.7311940063735854
Energy: 0.6670584130678391
Energy: 0.6687691056269452
Energy: 0.6845653905676908
Energy: 0.6817298834497544
Energy: 0.6718327005172301
Energy: 0.6279681819178762
Energy: 0.6980151547620493
Energy: 0.702826753625421
Energy: 0.6658327542668907
Energy: 0.7435523348296456
Energy: 0.7554975524622175
Energy: 0.693199101262331
Energy: 0.8033533690785827
Energy: 0.7247105661062425
Energy: 0.659636931228074
Energy: 0.6844015534454135
Energy: 0.7702482118619314
Energy: 0.6606993892294256
Energy: 0.7520687262089744
Energy: 0.6380158070131902
Energy: 0.712766818926225
Energy: 0.6717442944031843
Energy: 0.6743089041426757
Energy: 0.6911759295795611
Energy: 0.6731901033327993
Energy: 0.6814498995521419
Energy: 0.6289563567393409
Energy: 0.6831014396564509
Energy: 0.7514766126868238
Energy: 0.7660556830348886
Energy: 0.7894355604314405
Energy: 0.6756213751215681
Energy: 0.6806031007271962
Energy: 0.8087205192039592
Energy: 0.6709739194013963
Energy: 0.6660075691861146
Energy: 0.6593575725954275
Energy: 0.6614318986144538
Energy: 0.6820064548795352
Energy: 0.6963462015850735
Energy: 0.6664683708690504
Energy: 0.6883733398298074
Energy: 0.6718556299107209
Energy: 0.6032401384929889
Energy: 0.6477606458385972
Energy: 0.6817491229877576
Energy: 0.7054726007703533
Energy: 0.6735093715780912
Energy: 0.6468464862406934
Energy: 0.6946652565564428
Energy: 0.6296751330116335
Energy: 0.6315166703957561
Energy: 0.6752332911576305
Energy: 0.687631417491173
Energy: 0.6563460196044886
Energy: 0.6568139181989934
Energy: 0.64159632963032
Energy: 0.6672647659032759
Energy: 0.6514997440924096
Energy: 0.679661948878443
Energy: 0.6844409121453955
Energy: 0.6756658578747042
Energy: 0.6715144756624748
Energy: 0.6961432487019878
Energy: 0.698289679398978
Energy: 0.6561945906624552
Energy: 0.6960499209207335
Energy: 0.6736262117844246
Energy: 0.6682761951369622
Energy: 0.7096508771856161
Energy: 0.7200260427000004
Energy: 0.651534651620368
Energy: 0.8270997551211327
Energy: 0.6837479325657728
Energy: 0.6739194546324002
Energy: 0.7242420486545493
Energy: 0.7221606311486152
Energy: 0.6843427065854952
Energy: 0.6820594787783636
Energy: 0.64713292606145
Energy: 0.6817376844693332
Energy: 0.6805433574642783
Energy: 0.7954394069987397
Energy: 0.731253679439928
Energy: 0.6806666092765994
Energy: 0.784079730858712
Energy: 0.7225890348665983
Energy: 0.6981147454850307
Energy: 0.6856098100906735
Energy: 0.6596100928133304
Energy: 0.6977812540623138
Energy: 0.6676002058228225
Energy: 0.6835187554168607
Energy: 0.8243896136070421
Energy: 0.7983204740698058
Energy: 0.7346726306743179
Energy: 0.6477241596460271
Energy: 0.6775086161166316
Energy: 0.645035947403376
Energy: 0.6071241717124137
Energy: 0.6691369912957998
Energy: 0.6992150221241673
Energy: 0.7058035295756953

minimum gb energy = 0.6032401384929889 eV
minimum distance =  2.6518208230438 Angstroms
sigma value = 113


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

Energy: 0.8071038572044852
Energy: 0.8998232522461231
Energy: 0.875146099824608
Energy: 0.7351891358957758
Energy: 0.8169457438584483
Energy: 0.7994447602929019
Energy: 0.7117390863062056
Energy: 0.6336590329494388
Energy: 0.7890189215104102
Energy: 0.7371524811701332
Energy: 0.7080527190511173
Energy: 0.6943480013410342
Energy: 0.648379533324598
Energy: 0.712372181988992
Energy: 0.8169733128045906
Energy: 0.7806484080018082
Energy: 0.7738459610677135
Energy: 0.6881215707340929
Energy: 0.7401403021086369
Energy: 0.7637940325623055
Energy: 0.7234789125238609
Energy: 0.7761270431860918
Energy: 0.7130791973685684
Energy: 0.7702411050743164
Energy: 0.8347716840298114
Energy: 0.823924026101417
Energy: 0.7678876748050197
Energy: 0.7683835688513492
Energy: 0.6363791993046862
Energy: 0.8262880361614872
Energy: 0.7231049673688981
Energy: 0.737789381875981
Energy: 0.7117943762187525
Energy: 0.6990770220912443
Energy: 0.7923161715850472
Energy: 0.710861729412033
Energy: 0.740557993618301
Energy: 0.730356896396041
Energy: 0.7094192262909621
Energy: 0.7282910838819158
Energy: 0.7500272035660083
Energy: 0.7438278165683117
Energy: 0.7336345263642555
Energy: 0.6630457505244434
Energy: 0.7644282743096594
Energy: 0.6942960462107589
Energy: 0.7542110806770158
Energy: 0.7763227795881855
Energy: 0.754610252144418
Energy: 0.7174810668461862
Energy: 0.6695501540862198
Energy: 0.6822249694415461
Energy: 0.6977832328506762
Energy: 0.6632947880251727
Energy: 0.6958205976884095
Energy: 0.6754194706249249
Energy: 0.6423596189036529
Energy: 0.709130615648261
Energy: 0.7203177237622795
Energy: 0.6555130401276025
Energy: 0.7077920230502405
Energy: 0.7662987313658939
Energy: 0.7528658645470055
Energy: 0.7900725003270654
Energy: 0.6460920550795871
Energy: 0.6841987776231055
Energy: 0.6735091363917032
Energy: 0.6774934241717594
Energy: 0.6511415228620895
Energy: 0.6571943231305879
Energy: 0.7119048557683898
Energy: 0.6877246687312258
Energy: 0.6551663067871204
Energy: 0.7083964055207032
Energy: 0.688991291640461
Energy: 0.7341025119201369
Energy: 0.7040153619875984
Energy: 0.6358614598663344
Energy: 0.6596004177308549
Energy: 0.7559909995598871
Energy: 0.6681353025055933
Energy: 0.6861834490989105
Energy: 0.7888497397263118
Energy: 0.7023786440826452
Energy: 0.7521397417880287
Energy: 0.6736208835379359
Energy: 0.7041709657625707
Energy: 0.6546348335014069
Energy: 0.7026774966152954
Energy: 0.7004998887607329
Energy: 0.6630452679189757
Energy: 0.7573597781546761
Energy: 0.6465493343983414
Energy: 0.642969863853328
Energy: 0.695680331463976
Energy: 0.664143600369868
Energy: 0.7352175792577633
Energy: 0.6784779235299467
Energy: 0.676908468969112
Energy: 0.7969904105273211
Energy: 0.7208464497877256
Energy: 0.6963163812523853
Energy: 0.6887478053493591
Energy: 0.7266532865689244
Energy: 0.7100014367246094
Energy: 0.6376450293929663
Energy: 0.7347441990866629
Energy: 0.731023050249928
Energy: 0.7163800929821286
Energy: 0.7285699024520556
Energy: 0.7589366435807283
Energy: 0.7366973617848894
Energy: 0.7326927505100959
Energy: 0.7590520824326699
Energy: 0.7316814575667225
Energy: 0.7773370466440893
Energy: 0.7827651461438838
Energy: 0.8041016842819805
Energy: 0.7833044271934102
Energy: 0.7220168329737072
Energy: 0.784691142860792
Energy: 0.7726546463475625
Energy: 0.8200909298863155
Energy: 0.7773033967075023
Energy: 0.7429380314319899
Energy: 0.7903710088931635
Energy: 0.7427644605682342
Energy: 0.8261049746058179
Energy: 0.7617035607604882
Energy: 0.7467080856143326
Energy: 0.800924349688322
Energy: 0.6771797054248474
Energy: 0.7865191037976837
Energy: 0.8114436313019703
Energy: 0.7898405512827472
Energy: 0.8218358047414765
Energy: 0.7128042471417435
Energy: 0.8187354204183368
Energy: 0.7687480976597383
Energy: 0.7346196614471209
Energy: 0.8438491448504718
Energy: 0.7279876305863322
Energy: 0.6891888361535492
Energy: 0.7284380642149598
Energy: 0.7541667697805474
Energy: 0.7953170213274598
Energy: 0.7066054105925528
Energy: 0.6328325163873282
Energy: 0.7679220017955144
Energy: 0.7760550069439557
Energy: 0.6930597717381838
Energy: 0.8211422817059537
Energy: 0.7194381692125662
Energy: 0.6993381602084047
Energy: 0.7990450118597701
Energy: 0.737722798527772
Energy: 0.869826692355559
Energy: 0.7185776449749285
Energy: 0.7545665934916792
Energy: 0.7988420240193616
Energy: 0.814754996914646
Energy: 0.6754315768058524
Energy: 0.8173835686419558
Energy: 0.7064757657344577
Energy: 0.7099797190627993
Energy: 0.6795891479002791
Energy: 0.6532270745950675
Energy: 0.7168864080790174
Energy: 0.7227206003929509
Energy: 0.7573986437851954
Energy: 0.7745982549580359
Energy: 0.7429706612880627
Energy: 0.8192889377035306
Energy: 0.8099545193642709
Energy: 0.7481943104561412
Energy: 0.7762285370974169
Energy: 0.7737753887460865
Energy: 0.7709734275560102
Energy: 0.8351358263256307
Energy: 0.7946623670472295
Energy: 0.7688216224496079
Energy: 0.7202795271041317
Energy: 0.64757499879064
Energy: 0.7544624851208042
Energy: 0.7599448595434443
Energy: 0.73746001774676
Energy: 0.7226899200418757
Energy: 0.7538535902061204
Energy: 0.7738769841215625
Energy: 0.7103314087935443
Energy: 0.7350100139095438
Energy: 0.7300405268822251
Energy: 0.6973791567593084
Energy: 0.7238580213083512
Energy: 0.7514730399397936
Energy: 0.7185759406683178
Energy: 0.7364547468410932
Energy: 0.6803335082853829
Energy: 0.734751054889888
Energy: 0.708486538706923
Energy: 0.7433295182764377
Energy: 0.7485495285923053
Energy: 0.7557249488225096
Energy: 0.7570365755439891
Energy: 0.6853457199774659
Energy: 0.7040602917897648
Energy: 0.6506561812136121
Energy: 0.7147920018743891
Energy: 0.6955873315184351
Energy: 0.675499664876478
Energy: 0.6332530960295414
Energy: 0.7096793038404727
Energy: 0.7204150343530134
Energy: 0.688260922455101
Energy: 0.7400894854111719
Energy: 0.7556000202605361
Energy: 0.7543493812041018
Energy: 0.6749963639582988
Energy: 0.7376388887355205
Energy: 0.6629401403472
Energy: 0.6747497646681403
Energy: 0.6627867560257769
Energy: 0.6619525460023203
Energy: 0.6571092241311731
Energy: 0.7099736693588344
Energy: 0.6881266400196139
Energy: 0.6529759168842315
Energy: 0.7066459301459148
Energy: 0.6653982042855655
Energy: 0.6766464846611503
Energy: 0.7026727446258831
Energy: 0.6609097525083836
Energy: 0.6592171415469715
Energy: 0.7537950539901548
Energy: 0.6714047510396116
Energy: 0.7362220594189334
Energy: 0.7898953015153851
Energy: 0.7110740298672568
Energy: 0.6795989243660041
Energy: 0.6610926744630629
Energy: 0.7040679369403862
Energy: 0.6522495554092718
Energy: 0.7312709580963622
Energy: 0.7072647434918615
Energy: 0.6630251772648229
Energy: 0.7558886320776338
Energy: 0.6578021533604491
Energy: 0.6842823705649743
Energy: 0.6939601699653816
Energy: 0.6718675645675627
Energy: 0.7345456196585615
Energy: 0.6498346737761926
Energy: 0.6772874335176795
Energy: 0.6994983698373507
Energy: 0.7201572522377228
Energy: 0.6665363149017214
Energy: 0.6881190806129289
Energy: 0.7270480820593979
Energy: 0.6923562632297927
Energy: 0.6362546490583652
Energy: 0.6861903766193805
Energy: 0.6907264924448757
Energy: 0.6964418608381332
Energy: 0.6891971019659087
Energy: 0.7474951996711436
Energy: 0.7401162015763767
Energy: 0.7335584651783855
Energy: 0.804555446133251
Energy: 0.7313953490304792
Energy: 0.7773065947083466
Energy: 0.7822987744208522
Energy: 0.7592587485197603
Energy: 0.7469388270914306
Energy: 0.7231351237198449
Energy: 0.7848109021211916
Energy: 0.7736551418744627
Energy: 0.753185017978139
Energy: 0.7357262870339011
Energy: 0.6896395190070342
Energy: 0.7938510983349167
Energy: 0.7941137788002205
Energy: 0.7891186310088115
Energy: 0.73231723073881
Energy: 0.746343965421459
Energy: 0.775490070892587
Energy: 0.6638411368244284
Energy: 0.7812172627236619
Energy: 0.81188492476359
Energy: 0.8443349269366449
Energy: 0.8204906287235887
Energy: 0.7298716244095232
Energy: 0.7848026147010166
Energy: 0.7692073112839044
Energy: 0.7635269619152547
Energy: 0.8451090561480098
Energy: 0.7835304719463142
Energy: 0.689077608911764
Energy: 0.6938460939785059
Energy: 0.7525474643957389
Energy: 0.7193550831295606
Energy: 0.6661893685279902
Energy: 0.8443650429875532
Energy: 0.7232184981124152
Energy: 0.7756942221057535
Energy: 0.7715092855588285
Energy: 0.7540744245500142
Energy: 0.793776899500349
Energy: 0.7826226176608898
Energy: 0.8010028565034241
Energy: 0.707780736791776
Energy: 0.8707382610567342
Energy: 0.8222678315620051
Energy: 0.7522720569368719
Energy: 0.7989358051640112
Energy: 0.8131642440923232

minimum gb energy = 0.6328325163873282 eV
minimum distance =  2.60323997698645 Angstroms
sigma value = 365


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

Energy: 0.7289616065234268
Energy: 0.895391993043792
Energy: 0.6892460939980782
Energy: 0.693768337845765
Energy: 0.6956421201049964
Energy: 0.6890187698388589
Energy: 0.6896052003062181
Energy: 0.6927863238276363
Energy: 0.7660794865526322
Energy: 0.6343688266837586
Energy: 0.6345505428320414
Energy: 0.6345757537656807
Energy: 0.6346628962206214
Energy: 0.7660795264054276
Energy: 0.6909129840125163
Energy: 0.8356487488610999
Energy: 0.634384557650615
Energy: 0.6344227638422082
Energy: 0.6346463932421309
Energy: 0.6341523090126111
Energy: 0.6892598971996454
Energy: 0.6915754191950989
Energy: 0.8351250338836672
Energy: 0.6341681023804732
Energy: 0.6344092448362793
Energy: 0.6343489027450867
Energy: 0.6343558552501126
Energy: 0.6924378720192661
Energy: 0.7189657917034881
Energy: 0.7659124291558238
Energy: 0.6416447840903015
Energy: 0.7659672555002823
Energy: 0.6349113618190966
Energy: 0.6418750758662614
Energy: 0.765723145322226
Energy: 0.6921623127725729
Energy: 0.894627674496999
Energy: 0.634304390965148
Energy: 0.6942588621555182
Energy: 0.689354872546883
Energy: 0.6343555862702486
Energy: 0.6901186230337109
Energy: 0.6916300947730968
Energy: 0.8362981682258247
Energy: 0.6341128062853711
Energy: 0.6349539689717416
Energy: 0.6344074841723804
Energy: 0.6344326442923496
Energy: 0.7659175644604618
Energy: 0.6910210857046822
Energy: 0.8360434725252416
Energy: 0.6342358554735442
Energy: 0.6345625275249641
Energy: 0.6349403227521739
Energy: 0.6342134689941068
Energy: 0.7658424661657923
Energy: 0.6921623228626284
Energy: 0.8954963791395992
Energy: 0.6342588938531962
Energy: 0.6893122375379835
Energy: 0.6893878859870056
Energy: 0.6344652613177616
Energy: 0.6906550855156617
Energy: 0.7187822979321742
Energy: 0.7658126433267263
Energy: 0.6433805604168067
Energy: 0.7651200414620749
Energy: 0.7655215768267171
Energy: 0.6423162297463938
Energy: 0.7658222344588982
Energy: 0.6920449407717894
Energy: 0.8355909895045031
Energy: 0.634414454358397
Energy: 0.6896515721204008
Energy: 0.6341970430290852
Energy: 0.6342970084499377
Energy: 0.6913946711358149
Energy: 0.6909686924638887
Energy: 0.8360180740866346
Energy: 0.6340973953462433
Energy: 0.6347935442661241
Energy: 0.634470661262694
Energy: 0.6346419220216044
Energy: 0.8359402914819499
Energy: 0.6919992403340648
Energy: 0.7656994580246006
Energy: 0.6344461775862057
Energy: 0.6344438051779675
Energy: 0.6345200132195283
Energy: 0.6343732285895964
Energy: 0.7658269947089946
Energy: 0.692574766634444
Energy: 0.8899591806729473
Energy: 0.6343893572969237
Energy: 0.6939529639522694
Energy: 0.6959535011074741
Energy: 0.6342863605337199
Energy: 0.6897724407087105
Energy: 0.7191961056890576
Energy: 0.7657246988733799
Energy: 0.6426052992685726
Energy: 0.6352348424335711
Energy: 0.6347450751301832
Energy: 0.6348527866417846
Energy: 0.7659229473497354
Energy: 0.6912836845062453
Energy: 0.8356143831265471
Energy: 0.6344763830865582
Energy: 0.6343608063119027
Energy: 0.6343785480552103
Energy: 0.6341441684864234
Energy: 0.6905750279880801
Energy: 0.6910851282328712
Energy: 0.8354746146764863
Energy: 0.634093016601012
Energy: 0.6343968685484616
Energy: 0.6343989242085946
Energy: 0.6345361100200215
Energy: 0.6898706652749645
Energy: 0.7194149720987679
Energy: 0.7659847209482036
Energy: 0.6345888468859457
Energy: 0.6347109811274165
Energy: 0.6346743498562064
Energy: 0.6345505168444421
Energy: 0.765968535789031
Energy: 0.6930101117057353
Energy: 0.8907109273427353
Energy: 0.6342415415296349
Energy: 0.69379519862501
Energy: 0.6957754169151039
Energy: 0.6897814299732699
Energy: 0.6896226153891477
Energy: 0.6924075071275707
Energy: 0.7658338838355058
Energy: 0.6343282756760358
Energy: 0.6352405076616596
Energy: 0.6345173807153726
Energy: 0.6346180595648809
Energy: 0.7660230724531791

minimum gb energy = 0.634093016601012 eV
minimum distance =  2.73838661406718 Angstroms
sigma value = 23