Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.8890872895717616
cohesive_energy=3.9103075413017163
mass=106.42
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=[1.4797334890998178e-19, 2.1216824075744998e-19, 2.63700650013426e-19, 3.0766918338028797e-19, 3.4625920978681194e-19, 3.8065633994215797e-19, 4.1158796203816196e-19, 4.39537933418292e-19, 4.6485392641212595e-19, 4.87793891457738e-19, 5.08556498457744e-19, 5.272987607222759e-19, 5.4414725020542e-19, 5.59209312741654e-19, 5.72574670222482e-19, 5.843202271263359e-19, 5.94510070518576e-19, 6.032034809346599e-19, 6.10451728026876e-19, 6.162996727409759e-19, 6.2078736949281e-19, 6.23953270521594e-19, 6.258310215366419e-19, 6.264510638939999e-19, 6.257717410011839e-19, 6.235495220098259e-19, 6.19454358533322e-19, 6.13092115119708e-19, 6.03978934425516e-19, 5.91518806742898e-19, 5.749763329968479e-19, 5.5343987468262e-19, 5.25768682036806e-19, 4.905272047953419e-19, 4.45898574655272e-19, 3.8956123767392994e-19, 3.1852072572237e-19, 2.2887734087343597e-19, 1.155068415986058e-19, -2.84163649982874e-20, -2.12107358045358e-19, -4.48165654592382e-19, -7.54146143800434e-19, -1.154927424442266e-18, -1.6865312337801e-18, -2.40241579738398e-18, -3.3841174863347997e-18, -4.7601468884456995e-18, -6.741094100489639e-18, -9.688314040498979e-18, -1.425844278015228e-17, -2.17332056048832e-17, -3.4857755937620996e-17, -6.030048110320439e-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: 0.01474292572114046
Energy: 0.10602111788228001
Energy: 0.7342511915350872
Energy: 0.734334746562102
Energy: 0.0178532720835887
Energy: 0.016163235770104634
Energy: 0.1056508765745524
Energy: 0.733377788699542
Energy: 0.735322197937113
Energy: 0.01737437528491467
Energy: 0.10659811804027383
Energy: 0.7323508124309099
Energy: 0.10621255922078968
Energy: 0.10649551706387647
Energy: 0.10652438821960873
Energy: 0.10714035623040521
Energy: 0.732432210497701
Energy: 0.10592645612092667
Energy: 0.10888647002850675
Energy: 0.10629450021040696
Energy: 0.7357440130963652
Energy: 0.017782686094060033
Energy: 0.015315133734813887
Energy: 0.1059736205552572
Energy: 0.7338290862104396
Energy: 0.7357967856615213
Energy: 0.01698851431554942
Energy: 0.015107201248522956
Energy: 0.10624830434435745
Energy: 0.7332375417387277
Energy: 0.10688534594548003
Energy: 0.01603463067149105
Energy: 0.015951493290253884
Energy: 0.7328237736652232
Energy: 0.1059939422849939
Energy: 0.10719172270591272
Energy: 0.01576317498222153
Energy: 0.015407024221533698
Energy: 0.7344312618929166
Energy: 0.10652570649762465
Energy: 0.10772223500857941
Energy: 0.10730266759735756
Energy: 0.7333424138766595
Energy: 0.016147445222838955
Energy: 0.015674886752270356
Energy: 0.10653553149301659
Energy: 0.7347574953984606
Energy: 0.10901244678669074
Energy: 0.01707555833558089
Energy: 0.10552810246530034
Energy: 0.7339624386175206
Energy: 0.10765175528185413
Energy: 0.10595110139248341
Energy: 0.015712126107918868
Energy: 0.01869711262944634
Energy: 0.7350396272342067
Energy: 0.8448963947394044
Energy: 0.10776536794404364
Energy: 0.01581824150575068
Energy: 0.019495012883051215
Energy: 0.01953228750569253
Energy: 0.10691813634249192
Energy: 0.10593576708619358
Energy: 0.10713910259766656
Energy: 0.10698419178744709
Energy: 0.019252958832132284
Energy: 0.915636188905953
Energy: 0.726030323374893
Energy: 0.10779302847276322
Energy: 0.10812064936957953

minimum gb energy = 0.01474292572114046 eV
minimum distance =  2.71439569078746 Angstroms
sigma value = 3


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

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Energy: 1.425143240152247
Energy: 1.2479211512573427
Energy: 1.303926970774349
Energy: 1.5831003777870374
Energy: 1.3757258358295819
Energy: 1.4740674929798814
Energy: 1.2515090634423207
Energy: 1.3701231480037186
Energy: 1.578137871060814
Energy: 1.8478379712595538
Energy: 1.9047454500973293
Energy: 1.5653519479976798
Energy: 1.5484627516331249
Energy: 1.6242424548148855
Energy: 1.7945644774462055
Energy: 1.8624981162272274
Energy: 1.5687371986964287
Energy: 1.5254148546951414
Energy: 1.5836684962467902
Energy: 1.351060514704683
Energy: 1.8013619878799818
Energy: 1.7477902001331316
Energy: 1.3540493543131418
Energy: 1.3586473241153967
Energy: 1.351891725977301
Energy: 1.796445866480593
Energy: 1.762947204914443
Energy: 1.347730936017701
Energy: 1.380091007416553
Energy: 1.353272064556602
Energy: 1.6071956121073703
Energy: 1.8045881423584906
Energy: 1.5279461656627111
Energy: 1.4065570193533117
Energy: 1.3544353059799354
Energy: 1.6785605877245242
Energy: 1.8027330008452753
Energy: 1.4694545095804457
Energy: 1.3502610021410446
Energy: 1.6369180379282395
Energy: 1.507183003066659
Energy: 1.6101217743274625
Energy: 1.6674323545204988
Energy: 1.5628600341232284
Energy: 1.634619891584295
Energy: 1.510985503859628
Energy: 1.593737615067041
Energy: 1.693107427018263
Energy: 1.5685999624442821
Energy: 1.742437566956767
Energy: 1.3913243562627042
Energy: 1.5739561339543935
Energy: 1.5561916719846407
Energy: 1.683329275815483
Energy: 1.7338059868013143
Energy: 1.394447224992297
Energy: 1.5416326981655402
Energy: 1.7019332602844104
Energy: 1.6347741760290944
Energy: 1.5959858234920807
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Energy: 1.7791081279063372
Energy: 1.5227329958524811
Energy: 1.656566977870235
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Energy: 1.6071816801803862
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Energy: 1.561709104159282
Energy: 1.6603322159418945
Energy: 1.2545186968290958
Energy: 1.5326970881152862
Energy: 1.9943095154388468
Energy: 2.0632174480341434
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Energy: 1.2593370088104794
Energy: 1.555811298063196
Energy: 1.4351485594190125
Energy: 1.6191997901201385
Energy: 1.4285903675972729
Energy: 1.5830604733938427
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Energy: 1.495031385545595
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Energy: 1.7690659480527324
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Energy: 1.6924273098703018
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Energy: 1.761296011188497
Energy: 1.6899965561056576
Energy: 1.576460246811687
Energy: 1.5737310900905805
Energy: 1.7563912520147043
Energy: 1.576820801895506
Energy: 1.6856024958898699
Energy: 1.6315365987889956
Energy: 1.5890293502116652
Energy: 1.7458994886707742
Energy: 1.2932708854508719
Energy: 1.537925335304412
Energy: 1.2758246110051257
Energy: 1.2647872953602037
Energy: 1.7211912443241169
Energy: 1.2940586953277642
Energy: 1.54434745891197
Energy: 1.2784933996070584
Energy: 1.3875496452283462
Energy: 1.7202379530999137
Energy: 1.7860116961129546
Energy: 1.8385056383041085
Energy: 1.5608193172459088
Energy: 1.5712096714654655
Energy: 1.539002467007299
Energy: 1.7829210887801012
Energy: 1.7964139127507708
Energy: 1.5356751436861855
Energy: 1.5719080491724577
Energy: 1.5355940132549817
Energy: 1.3331514331839645
Energy: 1.842368360427685
Energy: 1.779659534181565
Energy: 1.370593698172428
Energy: 1.3237021573913181
Energy: 1.3357563047310397
Energy: 1.8241379722878532
Energy: 1.833474133212499
Energy: 1.3600656631567287
Energy: 1.3243011578282453
Energy: 1.3339708494358753
Energy: 1.6556334309235692
Energy: 1.7816158581252832
Energy: 1.42412599434765
Energy: 1.1753978151953757
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Energy: 1.5965590667830718
Energy: 1.8417922235088011
Energy: 1.4121719135788617
Energy: 1.178860935027393
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Energy: 1.6581553404938347
Energy: 1.6061281100378648
Energy: 1.7013366767534512
Energy: 1.5505722605953167
Energy: 1.6325074103009887
Energy: 1.6232673308538965
Energy: 1.6082671866532563
Energy: 1.695034438155913
Energy: 1.5913862283573736
Energy: 1.5875890883085482
Energy: 1.3890268383803217
Energy: 1.509194189675367
Energy: 1.7832704268515311
Energy: 1.634749695843404
Energy: 1.5401653779630684
Energy: 1.4093820164271789
Energy: 1.519827731297257
Energy: 1.3764153496080005
Energy: 1.6413204390273943
Energy: 1.5940281523356512
Energy: 1.6411231999236968
Energy: 1.771595002965597
Energy: 1.5421799740289976
Energy: 1.6945106421793685
Energy: 1.5940382897549779
Energy: 1.6257634817260063
Energy: 1.7693678571843698
Energy: 1.5055807527144973
Energy: 1.6815800475844462
Energy: 1.2572272194161267
Energy: 1.5136557273639795
Energy: 1.8910668545626224
Energy: 1.7437907879077423
Energy: 1.467626118955979
Energy: 1.2572444078762564
Energy: 1.50762590738221
Energy: 1.8882813894613029
Energy: 1.6241041522011976
Energy: 1.4668731678012203
Energy: 1.5163904343593355
Energy: 1.5421547923009544
Energy: 1.5064637015366282
Energy: 1.8082271431073726
Energy: 1.6219214268218134
Energy: 1.5133508719430222
Energy: 1.5503943017790893
Energy: 1.578646132163732
Energy: 1.8394744854117429
Energy: 1.6531794701023264
Energy: 1.5685503128282678
Energy: 1.392826934876253
Energy: 1.3808679976002878
Energy: 1.48207198732174
Energy: 1.8128546750601968
Energy: 1.5714220143559217
Energy: 1.3724579895650277
Energy: 1.364057705265314
Energy: 1.4901866592610147
Energy: 1.7702843427557549
Energy: 1.5196474515889378
Energy: 1.3720796516371427
Energy: 1.322611121373439
Energy: 1.5651477753305778
Energy: 1.777541155105229
Energy: 1.5119331455759042
Energy: 1.3585710585939121
Energy: 1.336630235338644
Energy: 1.6105032828408465
Energy: 1.8359952009779972
Energy: 1.7680325458602202
Energy: 1.733197792819506
Energy: 1.6690702847190466
Energy: 1.7467394413364776
Energy: 1.6841504982106923
Energy: 1.767817393382033
Energy: 1.6329153088604866
Energy: 1.6649246554358799
Energy: 1.766960951417994
Energy: 1.6943763789589772
Energy: 1.4878783572129168
Energy: 1.253052485459211
Energy: 1.6652297885961709
Energy: 1.3913190976100995
Energy: 1.5928356721222885
Energy: 1.5395625980581455
Energy: 1.6569617443460343
Energy: 1.5857301659913805
Energy: 1.38834392975669
Energy: 1.6139301045749326
Energy: 1.5358127766840328
Energy: 1.7603448441426064
Energy: 1.6177818299300992
Energy: 1.5302304818651156
Energy: 1.7451581812522499
Energy: 1.5342773783025072
Energy: 1.7573784642466905
Energy: 1.6142787948322324
Energy: 1.5675543159835186
Energy: 1.832191684937422
Energy: 1.4183496178637842
Energy: 1.3859576891842373
Energy: 1.2502927017544618
Energy: 1.3095122995610011
Energy: 1.6921473058867609
Energy: 1.3800057836614728
Energy: 1.4455882748267077
Energy: 1.243347062845816
Energy: 1.327729174576237
Energy: 1.6836021144988436

minimum gb energy = 1.1753978151953757 eV
minimum distance =  2.41984113790046 Angstroms
sigma value = 75


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

Energy: 2.0053670825314485
Energy: 1.604982109810791
Energy: 1.5244396687200248
Energy: 1.557568526067499
Energy: 1.6337953817492445
Energy: 1.9218870702767645
Energy: 1.5677875267642591
Energy: 1.512385639123732
Energy: 1.5650290307043173
Energy: 1.5440256687873617
Energy: 1.8197385634665912
Energy: 1.97405555648778
Energy: 1.6417305608457977
Energy: 1.5216213560980323
Energy: 1.4193716837595969
Energy: 1.7824336002271857
Energy: 1.7356986196313962
Energy: 1.6389930389658176
Energy: 1.5345240425556372
Energy: 1.5160913571310242
Energy: 1.6543096765328644
Energy: 1.735409915260153
Energy: 1.4865836900974467
Energy: 1.5031644726986393
Energy: 1.4169601806270669
Energy: 1.6270633479784398
Energy: 1.592371983931885
Energy: 1.486471755551887
Energy: 1.487500887027052
Energy: 1.388186144074365
Energy: 1.6967390872411505
Energy: 1.7731209076510002
Energy: 1.7554708336196079
Energy: 1.7137437523285803
Energy: 1.3598737552100808
Energy: 1.6870483011871864
Energy: 1.7657024943107258
Energy: 1.7508988826516738
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Energy: 1.3597037409013575
Energy: 1.9994628193482227
Energy: 1.7719780584334242
Energy: 1.7501745026661475
Energy: 1.6341993861075705
Energy: 1.679950251747682
Energy: 1.9880507163871952
Energy: 1.7078512078752124
Energy: 1.606901056210806
Energy: 1.6366445803114562
Energy: 1.6605730229940376
Energy: 1.60605564712092
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Energy: 1.639398300770915
Energy: 1.5749980574268458
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Energy: 1.6867023174866347
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Energy: 1.432664131611228
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Energy: 1.4639927424475019
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Energy: 1.549792082180347
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Energy: 1.7716951027231564
Energy: 1.670412003811771
Energy: 1.6209989092868875
Energy: 1.550450128601286
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Energy: 1.670091338845138
Energy: 1.5014696491348944
Energy: 1.5742056773010207
Energy: 1.9162839171028767
Energy: 1.6185536547525077
Energy: 1.5584240915235263
Energy: 1.513931485666009
Energy: 1.7189121608338582
Energy: 1.9099898379993552
Energy: 1.6092540545317955
Energy: 1.554753777781462
Energy: 1.541901546314145
Energy: 1.5764630938624908
Energy: 1.617765502239559
Energy: 1.9211775708368302
Energy: 1.6489406938911062
Energy: 1.518026341132795
Energy: 1.581890344901398
Energy: 1.6465299124934307
Energy: 1.9315356817879015
Energy: 1.6492815421018663
Energy: 1.6011066485021523
Energy: 1.5099681837909924
Energy: 1.4696298658918858
Energy: 1.7833485892176897
Energy: 1.7723445877286945
Energy: 1.6622089147255594
Energy: 1.5147612375270494
Energy: 1.450233321082703
Energy: 1.786177510012087
Energy: 1.767359848093521
Energy: 1.6362221954308247
Energy: 1.4046336225776423
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Energy: 1.516078716274412
Energy: 1.4939098785631273
Energy: 1.736458297567789
Energy: 1.28504861280013
Energy: 1.3613919726870045
Energy: 1.60631920201347
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Energy: 1.6715643558784465
Energy: 1.590309893230787
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Energy: 1.7524100351354956
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Energy: 1.6813805109427782
Energy: 1.5132153000198536
Energy: 1.5744883582140348
Energy: 1.8091671202127946
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minimum gb energy = 1.2798438371759475 eV
minimum distance =  2.469019644883 Angstroms
sigma value = 105


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

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Energy: 1.4745899162971103
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Energy: 1.7448643639523889
Energy: 1.5526743744787357
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Energy: 1.5294728960319997
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Energy: 1.7801703572291558
Energy: 1.5355193515057575
Energy: 1.5154976124619828
Energy: 1.5328566277878068
Energy: 1.7750905212060002
Energy: 1.7221738715980177
Energy: 1.4254891172367734
Energy: 1.333144276544734
Energy: 1.7640227074224564
Energy: 1.93509587997718
Energy: 1.6683309785486176
Energy: 1.4161665189160406
Energy: 1.3348916273929257
Energy: 1.7846999555067724
Energy: 1.9087448018744182
Energy: 1.8420808354418934
Energy: 1.4529562071740136
Energy: 1.4125774248506986
Energy: 1.5008603306770156
Energy: 1.9378520887023403
Energy: 1.7963244617407892
Energy: 1.43065623108187
Energy: 1.4280925367701836
Energy: 1.500834110538816
Energy: 1.938560094040403
Energy: 1.7371303383208914
Energy: 1.738125512388576
Energy: 1.372660221066197
Energy: 1.5687063808012074
Energy: 1.6462829287890548
Energy: 1.7774821542638495
Energy: 1.7129594016819107
Energy: 1.4057719456362934
Energy: 1.5566595656897844
Energy: 1.6260839775244562
Energy: 1.701629650583289
Energy: 1.7734891151660819
Energy: 1.8045484181774656
Energy: 1.4682439058108239
Energy: 1.5513762632741521
Energy: 1.6629745976974017
Energy: 1.7268826022952009
Energy: 1.788334619941057
Energy: 1.3970882162167857
Energy: 1.5906396387168427
Energy: 1.6541917283430925
Energy: 1.6946619877968336
Energy: 1.3923123997513192
Energy: 1.6334601434104894
Energy: 1.5550906550254202
Energy: 1.6628198035884298
Energy: 1.7169549839491733
Energy: 1.414646038516375
Energy: 1.6096574251960667
Energy: 1.689763261686239
Energy: 1.9398052033330988
Energy: 1.539327928889939
Energy: 1.305712106816118
Energy: 1.3684051045888195
Energy: 1.5737751403549305
Energy: 1.86998944581254
Energy: 1.4320304996199913
Energy: 1.2737555609546605
Energy: 1.3715370703724572
Energy: 1.8739778963090545

minimum gb energy = 1.2636144891363663 eV
minimum distance =  2.45076114330635 Angstroms
sigma value = 165


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

Energy: 1.3341429896927457
Energy: 1.4862909375361362
Energy: 1.4660304291878816
Energy: 1.4682241564166478
Energy: 1.7162036398373441
Energy: 1.3354071165293873
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Energy: 1.394701124526945
Energy: 1.4699396841808388
Energy: 1.8187897661447656
Energy: 1.4477414759692409
Energy: 1.4158267620245797
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Energy: 1.4153573231919097
Energy: 1.3109199159202705
Energy: 1.29842188630749
Energy: 1.3852301870540773
Energy: 1.490982047573981
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Energy: 1.3151685961164137
Energy: 1.4222893927114595
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Energy: 1.83436651362064
Energy: 1.6612107377365906
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Energy: 1.336692263583525
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Energy: 1.4486628511401423
Energy: 1.4180020197187901
Energy: 1.3631028093457052
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Energy: 1.4295504034035824
Energy: 1.3759181692535296
Energy: 1.3632949966940082
Energy: 1.7228940848694565
Energy: 1.4208581024693387
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Energy: 1.6932306817430196
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Energy: 1.4890503388756202
Energy: 1.3429969382749292
Energy: 1.6816689773257678
Energy: 1.7226944598567902
Energy: 1.339296426428843
Energy: 1.560236352893493
Energy: 1.4364651029172557
Energy: 1.350553560764459
Energy: 1.442415539564551
Energy: 1.4895532297434215
Energy: 1.5913652091372235
Energy: 1.4894118359751798
Energy: 1.3302386240066546
Energy: 1.3034816439046741
Energy: 1.4687704876967367
Energy: 1.7229836914298795
Energy: 1.768714476965353
Energy: 1.2484030125178642
Energy: 1.2852935083851498
Energy: 1.4611845165788708
Energy: 1.7226754834291576
Energy: 1.7576871681875508
Energy: 1.2482669166756268
Energy: 1.2853616406171668
Energy: 1.458198384276338
Energy: 1.6198076783341595
Energy: 1.688630834350018
Energy: 1.5196477391756877
Energy: 1.172840613935827
Energy: 1.4089385199069608
Energy: 1.6213544326466
Energy: 1.6886325004365588
Energy: 1.5465171028528373
Energy: 1.1718893877058174
Energy: 1.4606270893747144
Energy: 1.7403367460401864
Energy: 1.3099991843950878
Energy: 1.2926010740032896
Energy: 1.473615474887489
Energy: 1.4425055140345981
Energy: 1.6783041567846708
Energy: 1.3098483134339658
Energy: 1.3389232382448146
Energy: 1.4284830649940994
Energy: 1.4390814610361733

minimum gb energy = 1.1718893877058174 eV
minimum distance =  2.44040613305303 Angstroms
sigma value = 41


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

Energy: 2.090622257919563
Energy: 1.424176045059898
Energy: 1.2392945871952832
Energy: 1.359286341308981
Energy: 1.5393506709716307
Energy: 2.0546911631145703
Energy: 1.5268287882417395
Energy: 1.232269685951678
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Energy: 1.3572604487266202
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Energy: 1.4830478859416374
Energy: 1.5124743011019823
Energy: 1.1715028369420808
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Energy: 1.6344385793046792
Energy: 1.7346471405472692
Energy: 1.5294465414509522
Energy: 1.2100613470943702
Energy: 1.2362864402651033
Energy: 1.63385498931089
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Energy: 1.5072791189118913
Energy: 1.1604406870451456
Energy: 1.3215477022399582
Energy: 1.5774642623121187
Energy: 1.8946864381906947
Energy: 1.49764820891283
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Energy: 1.3310139802353493
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Energy: 1.9032502637890123
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Energy: 1.3095598688163836
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Energy: 1.289920511307891
Energy: 1.5589716744924234
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Energy: 1.447629443920495
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Energy: 1.0988140830396032
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Energy: 1.5164436071898613
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Energy: 1.6896364304832683
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Energy: 1.647868180729327
Energy: 1.482232148962735
Energy: 1.5785727584673834
Energy: 1.6204476924164501
Energy: 1.512146197737564
Energy: 1.6104481404711473
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Energy: 1.2785557598188946
Energy: 1.2516580060548743
Energy: 1.5546716770450617
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Energy: 1.6262400188032207
Energy: 1.1862813549289968
Energy: 1.2548658277994889
Energy: 1.4435511032163688
Energy: 1.7189252731121687
Energy: 1.9402685538535596
Energy: 1.1852423205654274
Energy: 1.322046573922454
Energy: 1.5536985913311956
Energy: 1.8986639394914124
Energy: 1.8863938696980678
Energy: 1.1730543544625263
Energy: 1.3199940994551769
Energy: 1.4655622494126543
Energy: 1.5589673748752169
Energy: 1.6457446266293332
Energy: 1.3157141996269226
Energy: 1.3244856502690219
Energy: 1.4101673187331714
Energy: 1.6595211200041249
Energy: 1.508580324934573
Energy: 1.3431785026010323
Energy: 1.3063745958820525
Energy: 1.4283697360596914
Energy: 1.8423985108122478
Energy: 1.485085930342423
Energy: 1.1141146294393247
Energy: 1.1346381967993389
Energy: 1.529947323824544
Energy: 1.8686148796421052
Energy: 1.3452359747721852
Energy: 1.1137842931409017
Energy: 1.1556200725288186
Energy: 1.3857026462377395
Energy: 1.857654315158888
Energy: 1.4595735975022963
Energy: 1.2596231596416294
Energy: 1.1684111149614287
Energy: 1.6229714080825173
Energy: 1.8605611012126153
Energy: 1.4590099987589402
Energy: 1.2462283436626636
Energy: 1.1789840238518168
Energy: 1.5571850919198298
Energy: 1.49669984941144
Energy: 1.2803419549420274
Energy: 1.164567494806572
Energy: 1.3269446200133097
Energy: 1.5731380460591642
Energy: 1.4065763417797625
Energy: 1.3065095005343879
Energy: 1.1591986715856446
Energy: 1.335817567519604
Energy: 1.8521592367607478
Energy: 1.516865637047179
Energy: 1.1085628868736106
Energy: 1.1206689825480718
Energy: 1.5104711802580846
Energy: 1.7996241452453314
Energy: 1.4153170158265214
Energy: 1.0976591532613602
Energy: 1.0920281695900196
Energy: 1.603804565384951

minimum gb energy = 1.0860376512064527 eV
minimum distance =  2.50913139058766 Angstroms
sigma value = 185


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

Energy: 0.8274045313565827
Energy: 1.153917440080845
Energy: 1.8849865993859716
Energy: 1.1132159172928688
Energy: 0.5789624927493511
Energy: 0.5789041599025201
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Energy: 1.1948868337846263
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Energy: 1.1940750867719803
Energy: 1.0106305746569948
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Energy: 1.1706028371873132
Energy: 1.2892883675544555
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Energy: 1.2563039503994449
Energy: 2.2068792141866553
Energy: 1.1463120722028624
Energy: 0.5779784388850048
Energy: 0.5776991147722716
Energy: 1.153210148555331
Energy: 1.880381412645856
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Energy: 0.5777575017142275
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Energy: 1.8709234927523715
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Energy: 0.8872612886899941
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Energy: 1.2598766788145424
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Energy: 0.8610662247242067
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Energy: 1.2600687591924191
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Energy: 0.6183396775558595
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Energy: 1.875445889406066
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Energy: 1.069417537944933
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Energy: 0.9724364641019538
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Energy: 0.8172024676139942
Energy: 0.5795738187176215
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Energy: 1.8766732251764247
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Energy: 1.0561705166997215
Energy: 1.0095271316508858
Energy: 1.2052539050755084
Energy: 2.194377056333808
Energy: 1.0590467548042057
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Energy: 0.8512301436746069
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Energy: 2.2114110794276316
Energy: 1.1452261981333451
Energy: 0.6242870339602136
Energy: 0.6186615561094956
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Energy: 1.1870637059643647
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Energy: 0.5357128680687336
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Energy: 1.8796051206509607
Energy: 1.1930328158163745
Energy: 0.618807687423882
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Energy: 2.2112201715524136
Energy: 1.1458066481701816
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Energy: 1.0469222481019405
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Energy: 0.5358697957212094
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Energy: 0.9946827500310114
Energy: 0.7983480838524
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Energy: 0.8533597459230486
Energy: 0.8244112099985006
Energy: 0.869798333268523
Energy: 2.2474980695958005
Energy: 0.9859134672028974
Energy: 0.49331168567218686
Energy: 0.4933612056492941
Energy: 0.9250201004448055
Energy: 1.8914120678142956
Energy: 1.1370803032482422
Energy: 0.5784374273714389
Energy: 0.5784409236921404
Energy: 1.1677968473432234
Energy: 1.8825541177206186
Energy: 0.980183691774063
Energy: 0.8367097502244089
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Energy: 0.9681924764766064
Energy: 1.903365673322285
Energy: 0.8534147746330782
Energy: 0.7591471487465574
Energy: 0.8561666794261286
Energy: 1.8744824263132749
Energy: 1.1826819440462064
Energy: 1.086696623129928
Energy: 0.6586871623821406
Energy: 0.8831736034788371
Energy: 2.218150110222404
Energy: 2.2262411686982486
Energy: 1.0477459754788423
Energy: 0.6376646303291563
Energy: 1.0965250069647514
Energy: 2.213677866984128
Energy: 1.188236652531376
Energy: 0.622325822861728
Energy: 0.6250870017622603
Energy: 1.153727677581494
Energy: 1.8705505744579904
Energy: 1.1602217908550643
Energy: 0.6216847147161025
Energy: 0.6268998143947669
Energy: 1.124419830078504
Energy: 1.870621927853465
Energy: 1.1328102626251262
Energy: 0.8894411825289519
Energy: 0.8859483108542736
Energy: 1.140475364174222
Energy: 1.8875577243798063
Energy: 1.0191521364897334
Energy: 0.8157386152280255
Energy: 0.7591115464145055
Energy: 1.1497698172595316
Energy: 1.88727568297594
Energy: 1.1474570688062375
Energy: 0.8279578082062253
Energy: 1.1570346307018229
Energy: 1.8875813215292259
Energy: 2.180324320779369
Energy: 0.9596525397947279
Energy: 0.5784895380390939
Energy: 1.012835780331674
Energy: 2.1267573407538616
Energy: 1.1804495929017238
Energy: 0.8281779284218886

minimum gb energy = 0.49318461963406535 eV
minimum distance =  2.56649794127613 Angstroms
sigma value = 33


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

Energy: 1.7119007345131558
Energy: 1.3949871078521354
Energy: 1.1228950289034665
Energy: 1.1809947948482276
Energy: 1.5109544443139482
Energy: 1.659670053352328
Energy: 1.3803014383220824
Energy: 1.1398775110326238
Energy: 1.1839474860155181
Energy: 1.5515225731500513
Energy: 1.2606081787788104
Energy: 1.1856618268205568
Energy: 0.9694466797003327
Energy: 1.0613075299841495
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Energy: 0.9596428137625201
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Energy: 1.2215887603305928
Energy: 1.1089210761863992
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Energy: 1.0701099560104739
Energy: 1.760287915357545
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Energy: 0.9370156371199707
Energy: 0.937033346835151
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Energy: 1.7619766320754582
Energy: 1.3657221951214125
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Energy: 1.0650249115086492
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Energy: 1.0766277786023373
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Energy: 1.3333570505262868
Energy: 1.8632527671797572
Energy: 1.1775807742383204
Energy: 1.0243666491657213
Energy: 1.0195301585349252
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Energy: 1.2045365930107652
Energy: 1.0959371242496219
Energy: 1.2707772743674406
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Energy: 1.1790815098477145
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Energy: 1.2889151036345836
Energy: 1.8670954000063757
Energy: 1.4250086274114815
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Energy: 1.8716709889053667
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Energy: 1.1942071875679887
Energy: 1.32739044673222
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Energy: 1.36881650654283
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Energy: 1.5019287881194303
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Energy: 1.2333557833279842
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Energy: 1.2243683163273598
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Energy: 1.098801948603275
Energy: 1.1754921252861052
Energy: 1.3963698154487756
Energy: 1.5650320113042564
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Energy: 1.0803773769736866
Energy: 1.1758321226775637
Energy: 1.3849015021529663
Energy: 1.564929362741375
Energy: 1.7059683981545954
Energy: 1.0791632082817986
Energy: 1.1832056385990448
Energy: 1.3544319444034103
Energy: 1.6549245956703083
Energy: 1.207591372317986
Energy: 1.2984207758315869
Energy: 1.431932852268626
Energy: 1.374263577771528
Energy: 1.6959259938110676
Energy: 1.06260650878228
Energy: 1.420740469207739
Energy: 1.4479318748769825
Energy: 1.2528001304510783
Energy: 1.620001786961574
Energy: 1.032475110241947
Energy: 1.0925224223186683
Energy: 1.4379119748184808
Energy: 1.2502456566097617
Energy: 1.6001911590112976
Energy: 1.030713782608756
Energy: 1.1688620828520848
Energy: 1.4564984432361183
Energy: 1.4498805687904774
Energy: 1.5773877942252446
Energy: 1.3788205530519109
Energy: 1.568240306216692
Energy: 1.3656049104168073
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Energy: 1.2501667743492615
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Energy: 1.94797128249358
Energy: 1.2643106203767518
Energy: 1.1292685643424876
Energy: 1.0846926818210687
Energy: 1.5167658777450785

minimum gb energy = 0.9286630882197572 eV
minimum distance =  2.49794117954429 Angstroms
sigma value = 219


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

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Energy: 1.3801041246096615
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Energy: 1.707047310219541
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Energy: 1.4986955198694043
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Energy: 1.3432236948274414
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Energy: 1.6329704197476518
Energy: 1.4079467837590423
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Energy: 1.324219816942271
Energy: 1.7635637867319394
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Energy: 1.7930899492675425
Energy: 1.4955204669378088
Energy: 1.3561456807132881
Energy: 1.4743026140411197
Energy: 1.3412077994904554

minimum gb energy = 1.1902593737590046 eV
minimum distance =  2.50756773893113 Angstroms
sigma value = 15


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

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Energy: 1.6056507624962668
Energy: 1.6075842359345458
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Energy: 1.448098173521874
Energy: 1.5812364535056551
Energy: 1.8683345184821316
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minimum gb energy = 1.2483439949391688 eV
minimum distance =  2.48828332730947 Angstroms
sigma value = 293


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

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Energy: 1.8002588563673925
Energy: 1.6332295531966619
Energy: 1.6480062683501338
Energy: 2.0152020027773463
Energy: 1.8636915752695997
Energy: 1.5760728120732683
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Energy: 1.3093673090845146
Energy: 1.8055497836198808
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Energy: 1.7901155373659519
Energy: 1.8114401446995194
Energy: 1.4391358566954995
Energy: 1.4846364481056424
Energy: 1.6027299090068836
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Energy: 1.6617003316223435
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Energy: 1.493014246031055
Energy: 1.9340587428153628
Energy: 2.0569591605775
Energy: 1.6934410680724952
Energy: 1.600473266283639
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Energy: 2.026903678469802
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Energy: 1.5492744345136107
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Energy: 1.6314960810991401
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Energy: 1.606955514802547
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Energy: 1.7934778036732044
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Energy: 1.6720000642152508
Energy: 1.5293507288138855
Energy: 1.79547038113183
Energy: 1.999453892999417
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Energy: 1.8687019156731295
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Energy: 1.6052661887012039
Energy: 1.609605694439734
Energy: 1.7569976699263865
Energy: 1.5537875214257908
Energy: 1.6993868155398517
Energy: 1.5721353837357506
Energy: 1.6546225498751184
Energy: 1.9027855389596988
Energy: 1.9702381451611328
Energy: 1.738798311430489
Energy: 1.8583662295037386
Energy: 1.8294724037349488
Energy: 1.8974035729732803
Energy: 1.9701681194438154
Energy: 1.7389649157279203
Energy: 1.8415998865097831
Energy: 1.8269114541737907
Energy: 1.8003004093961699
Energy: 1.4403450018193151
Energy: 1.4834819719403503
Energy: 1.6548493828597066
Energy: 1.7576324885081651
Energy: 1.8377284183218658
Energy: 1.4401158279155404
Energy: 1.5583861757842132
Energy: 1.6946554115458794
Energy: 1.7563272495494169
Energy: 1.5457855046635611
Energy: 1.3490172189153329
Energy: 1.657964461606935
Energy: 1.6970130947150324
Energy: 1.8154776689118675
Energy: 1.4647297988111596
Energy: 1.3494687882208163
Energy: 1.6577508274943336
Energy: 1.741903650953543
Energy: 1.6970742813320767
Energy: 1.6335973355370315
Energy: 1.5201189153183026
Energy: 1.7298987653284204
Energy: 2.0625303418210823
Energy: 2.055492751848712
Energy: 1.6305064280187471
Energy: 1.6516204607986522
Energy: 1.8702374038230465
Energy: 2.0557215112673117
Energy: 1.9853720185737804
Energy: 1.6764625245663707
Energy: 1.2268482304266812
Energy: 1.7561794441405227
Energy: 1.7786805172758924
Energy: 1.6229280648895832
Energy: 1.5030036832615599
Energy: 1.227177381947996
Energy: 1.7905366863637384
Energy: 1.8193926014374906
Energy: 1.5809366275593373
Energy: 1.7154727225334738
Energy: 1.689894039755665
Energy: 1.8255819652892542
Energy: 1.611172346454795
Energy: 1.6124059779297837
Energy: 1.715043753993432
Energy: 1.656774527234359
Energy: 1.6871519220036926
Energy: 1.6117038615892418
Energy: 1.633072940160893
Energy: 1.77671831990292
Energy: 1.8748677977870727
Energy: 1.6275736928622742
Energy: 1.5774989443579028
Energy: 1.7236601436712125
Energy: 1.7769190917911224
Energy: 1.9480352200950852
Energy: 1.6267116976959042
Energy: 1.579298927786162
Energy: 1.5808976756606963

minimum gb energy = 1.2247677767029777 eV
minimum distance =  2.48744726123337 Angstroms
sigma value = 293


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

Energy: 1.0882016146654079
Energy: 1.653416529704549
Energy: 1.5658429021132065
Energy: 1.7696730342218945
Energy: 1.091659852049115
Energy: 1.0893499623401675
Energy: 1.6531384892650056
Energy: 1.7872307124604918
Energy: 1.769445880548725
Energy: 1.0924144443799573
Energy: 1.564720176102199
Energy: 1.6418991302882164
Energy: 1.1075816680239197
Energy: 1.500532831588868
Energy: 1.7763117625142408
Energy: 1.5656589941347505
Energy: 1.4435496480497507
Energy: 1.4270745728500118
Energy: 1.6530367342468497
Energy: 1.6554333210901002
Energy: 1.4344888503074749
Energy: 1.5817190669630952
Energy: 1.2633485842264416
Energy: 1.7751338849127671
Energy: 1.4940935145258456
Energy: 1.4352686586857681
Energy: 1.4324799483157982
Energy: 1.446439834831765
Energy: 1.7754587876260621
Energy: 1.4953223467891104
Energy: 1.4016508654446245
Energy: 1.093086462378335
Energy: 1.0911637605698719
Energy: 1.1128098302680511
Energy: 1.6540860243332887
Energy: 1.7750511411898195
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Energy: 1.0950876083035226
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Energy: 1.0911065393949346
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Energy: 1.7652376650334558
Energy: 1.5685884115074018
Energy: 1.6496575711604649
Energy: 1.4319831843605768
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Energy: 1.4325278425208545
Energy: 1.1286658979323723
Energy: 1.9547807850618129
Energy: 1.0966767963912303
Energy: 1.4343169250531764
Energy: 1.4508239410371682
Energy: 1.1126538913954633
Energy: 1.7303468968277012
Energy: 1.0956386415144452
Energy: 1.5846679138781639
Energy: 1.646608658616391
Energy: 1.5981150072477734
Energy: 1.6792851767227042
Energy: 1.4954333003481524
Energy: 1.6013506566823508
Energy: 1.0898259179672316
Energy: 1.091853186959213
Energy: 1.9583457330924243
Energy: 1.561559790895586
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Energy: 1.0896980644759853
Energy: 1.4309120719382062
Energy: 1.263021713784224
Energy: 1.4272626164522273
Energy: 1.6615757397923594
Energy: 1.0913742171107115
Energy: 1.6523945984672972
Energy: 1.1135641475330809
Energy: 1.499826681090255
Energy: 1.662836574922594
Energy: 1.0912681329824259
Energy: 1.652049125479888
Energy: 1.1128345691224877
Energy: 1.1148829750774614
Energy: 1.5618277112902386
Energy: 1.9587412994111466
Energy: 1.433724131286882
Energy: 1.2635661569823817
Energy: 1.2632203583052102
Energy: 1.5618397763747272
Energy: 1.9582068317650676
Energy: 1.4333741977854024
Energy: 1.0927878075490074
Energy: 1.6764867943897481
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Energy: 1.5593517190554025
Energy: 1.316236378136482
Energy: 1.7100598447056816
Energy: 1.8502746213722168
Energy: 1.6527234535568551
Energy: 1.5654421832255248
Energy: 1.0884492619339372
Energy: 1.7533163340841804
Energy: 1.5658556523443632
Energy: 1.7693889669181653
Energy: 1.0915637763963666
Energy: 1.0891405008925694
Energy: 1.7532459696629643
Energy: 1.5676164621829092
Energy: 1.770130808880875
Energy: 1.0921824575428167
Energy: 1.564873351526303
Energy: 1.4463467633021112
Energy: 1.1071483714756134
Energy: 1.5002139267332744
Energy: 1.7766079909741381
Energy: 1.5651105213786247
Energy: 1.4440882597215479
Energy: 1.4267765823034884
Energy: 1.653285787852031
Energy: 1.6561461442235177
Energy: 1.4342627428343417
Energy: 1.5814772570927973
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Energy: 1.5629592426615622
Energy: 1.493660514301987
Energy: 1.4339066781647223
Energy: 1.4327351066206218
Energy: 1.4469392249595512
Energy: 1.7754229270470858
Energy: 1.4967418226046045
Energy: 1.560261544899286
Energy: 1.0929045961222525
Energy: 1.0911920112999545
Energy: 1.1133277007909557
Energy: 1.8337025577750785
Energy: 1.775845801221121
Energy: 1.0923769936487135
Energy: 1.0913038178091659
Energy: 1.3206151181309815
Energy: 1.4951031033728537
Energy: 1.4513711651376366
Energy: 1.0910925707474965
Energy: 1.0900164687730123
Energy: 1.640725218895532
Energy: 1.2652029185101639
Energy: 1.5151558948755504
Energy: 1.0908758732962045
Energy: 1.0906337111898776
Energy: 1.44350679810239
Energy: 1.4316769232451667
Energy: 1.5985639851599824
Energy: 1.7874983431380378
Energy: 1.650495838492096
Energy: 1.4316481257350802
Energy: 1.1284800895728302
Energy: 1.7656563416356208
Energy: 1.6314216786806686
Energy: 1.6500766566114204
Energy: 1.4328194726999826
Energy: 1.1283042816753182
Energy: 1.9546690066100558
Energy: 1.0967586520661685
Energy: 1.4347226164252984
Energy: 1.650763979695463
Energy: 1.1128621310112126
Energy: 1.7312778152752946
Energy: 1.0956064616212366
Energy: 1.5840574948796484
Energy: 1.646934211442461
Energy: 1.5978368723958085
Energy: 1.6795672192422613
Energy: 1.564926071644867
Energy: 1.6535560423820956
Energy: 1.0902434783722332
Energy: 1.091340236357234
Energy: 1.991794888542279
Energy: 1.5613444928333742
Energy: 1.7533021621011349
Energy: 1.089678111167753
Energy: 1.0910466708499789
Energy: 1.112988186332197
Energy: 1.4270915489793106
Energy: 1.660653309035182
Energy: 1.0909487260266673
Energy: 1.6526254745681812
Energy: 1.1114242578514124
Energy: 1.4993347099928822
Energy: 1.514572021862762
Energy: 1.0910733491508335
Energy: 1.6516221583422992
Energy: 1.264750898447745
Energy: 1.1144444866792926
Energy: 1.56140771020557
Energy: 1.9587103139717903
Energy: 1.4336187451429832
Energy: 1.2635531896052086
Energy: 1.1128548345785312
Energy: 1.5616837654477866
Energy: 1.958068468739172
Energy: 1.4332780155891882
Energy: 1.0928889288087815
Energy: 1.6211746642248253
Energy: 1.1873887536297776
Energy: 1.6546497481820952
Energy: 1.5601050248053332
Energy: 1.0929914698248315
Energy: 1.6226729192338425
Energy: 1.8509838577704112
Energy: 1.652640009502223
Energy: 1.5665004805851315

minimum gb energy = 1.0882016146654079 eV
minimum distance =  2.47180330388588 Angstroms
sigma value = 15


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

Energy: 2.0184503417618074
Energy: 2.153282220172801
Energy: 1.8359599643123867
Energy: 1.765781383052354
Energy: 2.0823114844733905
Energy: 1.9417786923806746
Energy: 2.03223312342435
Energy: 1.8333623731930775
Energy: 1.8789635451027542
Energy: 1.9783217573396905
Energy: 1.7372927839794179
Energy: 1.782238876506054
Energy: 1.3026613186894618
Energy: 1.3268317025891976
Energy: 1.808409280540838
Energy: 1.7551118421273881
Energy: 1.6746905948321151
Energy: 1.306495527727434
Energy: 1.5131070389474457
Energy: 1.82724640787313
Energy: 1.6593090139611784
Energy: 1.6862568160943534
Energy: 1.5413463030768941
Energy: 1.6820384050941921
Energy: 1.3907923353734157
Energy: 1.6362024426271329
Energy: 1.6965927758596309
Energy: 1.5183674009002186
Energy: 1.6538452435076816
Energy: 1.3570068972209244
Energy: 1.5714273544268917
Energy: 1.7706943663390873
Energy: 2.089632868786201
Energy: 1.620987751400597
Energy: 1.5537720785859448
Energy: 1.5808817887320277
Energy: 1.7706644115447157
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Energy: 1.6144894570811759
Energy: 1.477445346860685
Energy: 1.8632664927649916
Energy: 2.027333200807004
Energy: 1.8762207935830477
Energy: 1.8651757118199486
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Energy: 1.8762098414580917
Energy: 2.0231371516002055
Energy: 2.138687271280355
Energy: 1.8039675828595376
Energy: 1.905224696750532
Energy: 1.6988428364161037
Energy: 1.6039285678512092
Energy: 1.6663095396840653
Energy: 1.7913175347447472
Energy: 1.5210025866945351
Energy: 1.7555537390750884
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Energy: 1.5210775557706144
Energy: 1.6226919658398775
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Energy: 1.5155273004826784
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Energy: 1.5314030517314339
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Energy: 1.547183639868207
Energy: 1.7631781184183344
Energy: 1.7415058298975292
Energy: 1.6973931633160493
Energy: 1.51048075775668
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Energy: 1.8257346530741871
Energy: 1.8343945201504395
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Energy: 1.4998007915355192
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Energy: 1.9740535018373988
Energy: 1.8303384099266744
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Energy: 1.8985721536097706
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Energy: 1.8640794856209024
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Energy: 1.7147621657278451
Energy: 1.556112505699501
Energy: 1.3738950202458315
Energy: 1.5597699518657975
Energy: 1.9654229705910176
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Energy: 1.5402907853397532
Energy: 1.3920773612987387
Energy: 1.5670680088345614
Energy: 1.7522850967704122
Energy: 1.753105801853362
Energy: 1.5674897195808262
Energy: 1.2910158750374703
Energy: 1.616823455972571
Energy: 1.8419672992933485
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Energy: 1.539936968230317
Energy: 1.2922352348941872
Energy: 1.6630338245957774
Energy: 1.3597753242737718
Energy: 1.773931914263666
Energy: 1.72521054857125
Energy: 1.7847765247875533
Energy: 1.7893476284573953
Energy: 1.3682550185869191
Energy: 1.784549115278219
Energy: 1.7002366374089306
Energy: 1.8032810856851464
Energy: 1.7957670974037927
Energy: 1.7641670380479713
Energy: 1.8560424588072575
Energy: 1.897520280090674
Energy: 1.8807585295592482
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Energy: 1.7621509741097536
Energy: 1.8621633337505965
Energy: 1.9871287284530557
Energy: 1.878921535601034
Energy: 1.8498152110871235
Energy: 1.2802953501594092
Energy: 1.654255931678745
Energy: 1.8792812538942414
Energy: 1.8107135252149709
Energy: 1.5940575818055867
Energy: 1.2816575815942928
Energy: 1.6853295729304876
Energy: 1.9142163721020982
Energy: 1.8198801765454595
Energy: 1.589635617458252
Energy: 1.4527011248345063
Energy: 1.6013502270594766
Energy: 1.5519589935661275
Energy: 1.6627455167027205
Energy: 1.6019579830089317
Energy: 1.473344432686679
Energy: 1.5922462946427662
Energy: 1.593901834545893
Energy: 1.6867016469706055
Energy: 1.6064678649916386
Energy: 1.7419031168815995
Energy: 1.5499993867868251
Energy: 1.4193913743421334
Energy: 1.7446699185793406
Energy: 1.7823849410974333
Energy: 1.7229285278052524
Energy: 1.5244844393188586
Energy: 1.5556893049347142
Energy: 1.7824731744616706
Energy: 1.8128436059977806
Energy: 2.011569335180436
Energy: 1.81158204491597
Energy: 1.881080259411943
Energy: 1.859790078671494
Energy: 1.7754984785155166
Energy: 1.9212496349314738
Energy: 1.7870696156993373
Energy: 1.825957401244181
Energy: 1.8766328613375485
Energy: 1.7757683513168285
Energy: 1.7618359108245463
Energy: 1.6841111564365354
Energy: 1.5330757277341105
Energy: 1.7255208278977776
Energy: 1.6407838231784815
Energy: 1.7940790492971157
Energy: 1.6871693837277384
Energy: 1.5782171042834525
Energy: 1.703824317440934
Energy: 1.6521025377741272
Energy: 1.6210706531533279
Energy: 1.800090385659484
Energy: 1.7061975702151337
Energy: 1.3114148067559948
Energy: 1.368880099846655
Energy: 1.632015970759542
Energy: 1.8271343214411906
Energy: 1.6777570324691238
Energy: 1.2997248081461554
Energy: 1.4130260810613713
Energy: 1.8819337602993564
Energy: 1.7869144407277344
Energy: 1.7698338784181782
Energy: 1.6018045178616696
Energy: 1.3763638835504177
Energy: 1.8271111571671936
Energy: 1.8072759731156944
Energy: 1.6886056035360257
Energy: 1.5924217572178965
Energy: 1.3718341797335594
Energy: 1.8712284556245937
Energy: 1.8474029997326908
Energy: 1.884834408530425
Energy: 1.7106278384296107
Energy: 1.955511001043153
Energy: 1.833998932037111
Energy: 1.8050994489703647
Energy: 1.8619431246204121
Energy: 1.6725952774088457
Energy: 1.9397053868582523
Energy: 1.3401082256026082
Energy: 1.5284053920958263
Energy: 1.6989311960639444
Energy: 1.612998161995542
Energy: 1.7123219391476656
Energy: 1.3675334504625833
Energy: 1.5894357936768115
Energy: 1.7090486791781758
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Energy: 1.656949036646632
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Energy: 1.6500138591344577
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Energy: 1.758059440985493
Energy: 1.7513875432923405
Energy: 1.6919662688404746
Energy: 1.8286801611545755
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Energy: 1.5735620224653593
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Energy: 1.4220676544846362
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Energy: 1.9249259339040776
Energy: 1.6206117409794154
Energy: 1.5555079452869363
Energy: 1.411400902765303
Energy: 1.6504327243628407
Energy: 1.775983260543349
Energy: 1.763234213019181
Energy: 1.5419181444262704
Energy: 1.2987051531741343
Energy: 1.5907998167394115
Energy: 1.8384817315967128
Energy: 1.7499225491913029
Energy: 1.5206873813851127
Energy: 1.2911555417858331
Energy: 1.5967800851129086
Energy: 1.3568300613833664
Energy: 1.7791936666756136
Energy: 1.70887365366018
Energy: 1.4776699556453436
Energy: 1.8159728470424767
Energy: 1.3692488210134166
Energy: 1.8541051913218214
Energy: 1.6909028303752345
Energy: 1.6143597555874318
Energy: 1.7983255731518712
Energy: 1.7233709804061912
Energy: 1.8758340673225407
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Energy: 1.8892684299585945
Energy: 1.8221662116059674
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Energy: 1.9656429399844195
Energy: 2.008965088456581
Energy: 1.8875587056373624
Energy: 1.8122836624711045
Energy: 1.2838177261708994
Energy: 1.6903984580426303
Energy: 1.9267687376355915
Energy: 1.8507672786572646
Energy: 1.5936840006703235
Energy: 1.304455924320015
Energy: 1.6940888178632956
Energy: 1.9515749417358181
Energy: 1.8488009368641984
Energy: 1.555687684226553
Energy: 1.4282367952975665
Energy: 1.6190798433721274
Energy: 1.565563044130911
Energy: 1.6770819828031958
Energy: 1.5836703944403434
Energy: 1.4803547649311293
Energy: 1.6153269655941427
Energy: 1.6419566773212473
Energy: 1.6822836987770606
Energy: 1.5869109770245262
Energy: 1.7794828585395717
Energy: 1.5347261138569654
Energy: 1.4356730790147205
Energy: 1.709351955175505
Energy: 1.7349491983213028
Energy: 1.7604323857655269
Energy: 1.500964717136289
Energy: 1.493074649345051
Energy: 1.7851381006745313
Energy: 1.768059765558341
Energy: 2.0225726948241487
Energy: 1.8771860547098291
Energy: 1.7817014449174806
Energy: 2.0532219855502354
Energy: 1.7707900696299637
Energy: 2.0145326577325586
Energy: 1.866007571672733
Energy: 1.7719718569271665
Energy: 1.992529567675275
Energy: 1.7707360078951935
Energy: 1.8396776119936167
Energy: 1.6671787998944296
Energy: 1.5246062017132525
Energy: 1.8147567405184089
Energy: 1.678187709727189
Energy: 1.8554438941086533
Energy: 1.581246717394503
Energy: 1.531555863263939
Energy: 1.7456487594601324
Energy: 1.6514142015410775
Energy: 1.6133844463992078
Energy: 1.7688631753544046
Energy: 1.7218299741135765
Energy: 1.2983111856343361
Energy: 1.3734566582905539
Energy: 1.6274265970031605
Energy: 1.8040809366342259
Energy: 1.6796310221073156
Energy: 1.2970037429777042
Energy: 1.411167733274012
Energy: 1.6650135160379709
Energy: 1.8292570112406772
Energy: 1.668854039345755
Energy: 1.4092058056089847
Energy: 1.3818801223026447
Energy: 1.7813976049581783
Energy: 1.8324564692108396
Energy: 1.6419367227860675
Energy: 1.4167050820312077
Energy: 1.3764903073419947
Energy: 1.989609320035284
Energy: 1.763392377835243
Energy: 1.8822764691751388
Energy: 1.7693671174334198
Energy: 1.9559911326607993
Energy: 1.9902133503594976
Energy: 1.7915400229555
Energy: 1.8793797654995745
Energy: 1.7851076568286637
Energy: 1.9061854105356977
Energy: 1.5537263948543092
Energy: 1.5569545795272035
Energy: 1.7962619892042546
Energy: 1.5158936705368444
Energy: 1.8469375302942215
Energy: 1.485871746864636
Energy: 1.558703999632579
Energy: 1.79374556631173
Energy: 1.5228995401342977
Energy: 1.8495479563909383
Energy: 1.4222644128032538
Energy: 1.297639931083836
Energy: 1.6697031229448527
Energy: 1.8015140656357145
Energy: 1.5969429987314223
Energy: 1.3758683305424881
Energy: 1.3522438724362118
Energy: 1.7162923856426762
Energy: 1.7840324062230035
Energy: 1.6115759161664232
Energy: 1.5544643119525412
Energy: 1.5077459691733401
Energy: 1.5420647145181636
Energy: 1.515879569088403
Energy: 1.7537829523312365
Energy: 1.4395347588905087
Energy: 1.61585201936762
Energy: 1.3558189545770947
Energy: 1.7842383946355216
Energy: 1.7679150648912947
Energy: 2.035031179496594
Energy: 2.089556017265209
Energy: 1.8101695562352216
Energy: 1.772620414328534
Energy: 1.996013227875211
Energy: 1.951226973180104
Energy: 2.0036825210282494
Energy: 1.8037344444698928
Energy: 1.871906514668367
Energy: 2.003262761689433

minimum gb energy = 1.274713801361548 eV
minimum distance =  2.43865979512875 Angstroms
sigma value = 437


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

Energy: 1.5319331303947583
Energy: 2.0894177627043944
Energy: 1.8703394140029677
Energy: 1.7866608708433342
Energy: 2.041871185819378
Energy: 1.5329063500362878
Energy: 1.9382471094530178
Energy: 1.8514893947630338
Energy: 1.817588435947237
Energy: 1.9856258258784587
Energy: 1.5411822189030464
Energy: 1.682848559275198
Energy: 1.3888478199849315
Energy: 1.500299885711518
Energy: 1.7037304299651486
Energy: 1.6186565529948775
Energy: 1.6978128283877238
Energy: 1.382142910049768
Energy: 1.6595473478069036
Energy: 1.7554093743367762
Energy: 1.4082725396218472
Energy: 1.4648913487479485
Energy: 1.731975778643216
Energy: 1.6060944601152545
Energy: 1.302902073678809
Energy: 1.430398428123211
Energy: 1.4736592879081674
Energy: 1.7024068095069242
Energy: 1.580388968382026
Energy: 1.304648812932956
Energy: 1.390457234920776
Energy: 1.6686892102882862
Energy: 1.8665180911043269
Energy: 1.556115538310634
Energy: 1.3192130517766434
Energy: 1.3877994380805367
Energy: 1.7816672028392506
Energy: 1.8870674996251249
Energy: 1.573064484327778
Energy: 1.3177896612733364
Energy: 1.8230315471998124
Energy: 1.8677206960471202
Energy: 1.7848570161101243
Energy: 1.7490216125787468
Energy: 1.7538824144625167
Energy: 1.810151900908869
Energy: 1.847421405676586
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Energy: 1.7487004737241523
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Energy: 1.8901780716034848
Energy: 1.699969593299281
Energy: 1.6645658750109442
Energy: 1.8210637115825854
Energy: 1.5351322978121378
Energy: 1.818553549258819
Energy: 1.5086969445812706
Energy: 1.6539540652663005
Energy: 1.737058956827561
Energy: 1.5350245653799883
Energy: 1.520675322627446
Energy: 1.3900382277069836
Energy: 1.3222040400052222
Energy: 1.669767467720387
Energy: 1.6808882066314341
Energy: 1.5098012905010785
Energy: 1.3908230752486617
Energy: 1.3238151370845794
Energy: 1.7374039126329917
Energy: 1.673020402196142
Energy: 1.5848192114223996
Energy: 1.5088855149090021
Energy: 1.722524599789618
Energy: 1.4884355109418657
Energy: 1.6320720235058395
Energy: 1.5833759100050069
Energy: 1.5085563142117606
Energy: 1.6743900583176288
Energy: 1.4872718553747823
Energy: 1.654206362197922
Energy: 1.7358816294172352
Energy: 1.7971015190062547
Energy: 1.7371801888697358
Energy: 1.7179797601200346
Energy: 1.6191849465278232
Energy: 1.7236500902125715
Energy: 1.7982140933881052
Energy: 1.733545518071477
Energy: 1.7192136788815102
Energy: 1.672210922243788
Energy: 1.9726699524144902
Energy: 1.9025681353934885
Energy: 1.7767327368849914
Energy: 1.6972575521240938
Energy: 1.705909048593176
Energy: 2.0237308767225004
Energy: 1.814470722064721
Energy: 1.8043566591334774
Energy: 1.6766410541219277
Energy: 1.7562987997381585
Energy: 1.2744777033211543
Energy: 1.4888787058708528
Energy: 1.6467379148681387
Energy: 1.6429735756404407
Energy: 1.7326095971038045
Energy: 1.339193448733191
Energy: 1.536651819529764
Energy: 1.6416388762504956
Energy: 1.6427811470944522
Energy: 1.7623636982652437
Energy: 1.2785292581721874
Energy: 1.3145938354966198
Energy: 1.6598027228216183
Energy: 1.808935156952616
Energy: 1.531238756632539
Energy: 1.2921874505849196
Energy: 1.3407969087612988
Energy: 1.6788781697893946
Energy: 1.7851787690063692
Energy: 1.5073955363934846
Energy: 1.416249590211774
Energy: 1.6795115756848666
Energy: 1.6081780294869916
Energy: 1.5992061080749844
Energy: 1.6722741175746925
Energy: 1.315807768842474
Energy: 1.6814424772600953
Energy: 1.4978798091375194
Energy: 1.6016508252746693
Energy: 1.626518890600174
Energy: 2.046607079796609
Energy: 2.0754312060730213
Energy: 1.8768541179323395
Energy: 1.8465147490956535
Energy: 1.8940806761558024
Energy: 2.0627461867995733
Energy: 2.040579499685383
Energy: 1.867599068459771
Energy: 1.8190354476985846
Energy: 1.9678199994878909

minimum gb energy = 1.2744777033211543 eV
minimum distance =  2.41425723935585 Angstroms
sigma value = 33