Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.063553899526596
cohesive_energy=2.9605994760773475
mass=107.8682
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=[1.067777026435836e-19, 1.60671079387422e-19, 2.03966698568004e-19, 2.40794330677128e-19, 2.72206605763332e-19, 2.99573384848686e-19, 3.23638077891366e-19, 3.4490376835444795e-19, 3.63746967746922e-19, 3.80454465686274e-19, 3.9526178213770194e-19, 4.0836278047391995e-19, 4.1995292624427596e-19, 4.3027895465040597e-19, 4.395219116519519e-19, 4.4756003182473e-19, 4.54324421573478e-19, 4.599384484990139e-19, 4.6452067367225395e-19, 4.68157614631434e-19, 4.70906949735378e-19, 4.7281834645974e-19, 4.739382679269059e-19, 4.74303564199458e-19, 4.739094287474939e-19, 4.72635698323464e-19, 4.70322155263968e-19, 4.66781344902828e-19, 4.61788962511284e-19, 4.55083853297994e-19, 4.463744211155699e-19, 4.353113914578e-19, 4.2137405691863396e-19, 4.03871879368818e-19, 3.8207106190998e-19, 3.55101622629858e-19, 3.2185325312108994e-19, 2.80916037945756e-19, 2.30492334920508e-19, 1.6835031199418399e-19, 9.181721810594519e-20, -3.3181078090139995e-21, -1.227616576150212e-19, -2.7341144259209996e-19, -4.649228200073879e-19, -7.108008571441979e-19, -1.0311064076368439e-18, -1.4538471212242799e-18, -2.0212259326227e-18, -2.8034886741732e-18, -3.90734030970018e-18, -5.51047824968058e-18, -7.91720390221002e-18, -1.1602658769867538e-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: -1.75621268201409e-24 eV

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

Energy: 0.010223280090378437
Energy: 0.013476006845457404
Energy: 0.08294073019306751
Energy: 0.08222941169986202
Energy: 0.012964299727899559
Energy: 0.011168140118882605
Energy: 0.08148837492481427
Energy: 0.08327996619997353
Energy: 0.08186855701769868
Energy: 0.012428256078328589
Energy: 0.010528117499391063
Energy: 0.08109992456720201
Energy: 0.08193847439388181
Energy: 0.08220805451711799
Energy: 0.08275162356662782
Energy: 0.08172081870236848
Energy: 0.08127516075852254
Energy: 0.08143694483369442
Energy: 0.08220081798261254
Energy: 0.08270698866565926
Energy: 0.08316707182108746
Energy: 0.013138448002394042
Energy: 0.010534951268666382
Energy: 0.08173792165243506
Energy: 0.08201073286347918
Energy: 0.08311327220709766
Energy: 0.012387565157921806
Energy: 0.010480449610236817
Energy: 0.08160892659394745
Energy: 0.08252178386950662
Energy: 0.08224052969223192
Energy: 0.011163742797622988
Energy: 0.011228008524496734
Energy: 0.08110158612808632
Energy: 0.08168476087178593
Energy: 0.08288717682316855
Energy: 0.011041672412567776
Energy: 0.01068305540181011
Energy: 0.08093366085537232
Energy: 0.08134138699503034
Energy: 0.08200944583955724
Energy: 0.082376625987254
Energy: 0.08345319201627806
Energy: 0.011510998705126797
Energy: 0.010739601928663176
Energy: 0.08157469851584831
Energy: 0.08220825854460811
Energy: 0.08300824224480968
Energy: 0.012413526986136366
Energy: 0.08109348161935917
Energy: 0.08098364794805474
Energy: 0.0815176116823069
Energy: 0.08239864505272032
Energy: 0.010973417258188702
Energy: 0.010687264800519779
Energy: 0.08106564128818487
Energy: 0.0813917809191854
Energy: 0.0826656219976972
Energy: 0.010919167483559925
Energy: 0.010624290808714262
Energy: 0.010727951814765978
Energy: 0.08363762493037821
Energy: 0.08195350394193923
Energy: 0.08203475177466732
Energy: 0.08386153820285353
Energy: 0.010700860468336442
Energy: 0.08149774639142462
Energy: 0.08196244967061175
Energy: 0.08246580940066041
Energy: 0.08350548270724228

minimum gb energy = 0.010223280090378437 eV
minimum distance =  2.83524841421852 Angstroms
sigma value = 3


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

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Energy: 0.674121999634181
Energy: 0.6469791307156695
Energy: 0.6614700215954759
Energy: 0.696304340898733
Energy: 0.7231110646356625
Energy: 0.671096714419695
Energy: 0.6489768405188486
Energy: 0.6622218217367264
Energy: 0.6740898647303655
Energy: 0.566219982930287
Energy: 0.7150771173677359
Energy: 0.6491911116743874
Energy: 0.5790379029787829
Energy: 0.5094607546308284
Energy: 0.5739807695389951
Energy: 0.5867431603661141
Energy: 0.6554967841771351
Energy: 0.5842451956365092
Energy: 0.6310639570893943
Energy: 0.6378336706705433
Energy: 0.6775478443723719
Energy: 0.6123850344249057
Energy: 0.6038351991687302
Energy: 0.6331337408441018
Energy: 0.5079505346099227
Energy: 0.5911010773754498
Energy: 0.5854783089078789
Energy: 0.5560346117997845
Energy: 0.6247499175125035
Energy: 0.5564701500805196
Energy: 0.6921386734916372
Energy: 0.5632616517547215
Energy: 0.5080950657978923
Energy: 0.6334928144370534
Energy: 0.5083811900901427
Energy: 0.6601559471335607
Energy: 0.5624510169945649
Energy: 0.6125407035517983
Energy: 0.6251082725135026
Energy: 0.7137027835855541
Energy: 0.6540772512080619
Energy: 0.7061678404400696
Energy: 0.600842248863473
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Energy: 0.6788167167935943
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Energy: 0.6036291405350754
Energy: 0.5135893238865028
Energy: 0.687055741573102
Energy: 0.6340589767040562
Energy: 0.6992208054031706
Energy: 0.6022643233542733
Energy: 0.6833867962390909
Energy: 0.6655599683100701
Energy: 0.6486536461817525
Energy: 0.6592863239971511
Energy: 0.5365878953476215
Energy: 0.7191216775475812
Energy: 0.6696679121505463
Energy: 0.7066604488248134
Energy: 0.6058647580231737
Energy: 0.6039133451257479
Energy: 0.6731690852216827
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Energy: 0.6999447758511881
Energy: 0.6639431620716456
Energy: 0.5433033809595308
Energy: 0.6736772652080015
Energy: 0.6874760521483971
Energy: 0.6563895100537311
Energy: 0.6640784932957198
Energy: 0.6767916394868213
Energy: 0.662605434561062
Energy: 0.6885475928011463
Energy: 0.654902198787241
Energy: 0.7204042169044687
Energy: 0.7057062884033555
Energy: 0.6651263619453107
Energy: 0.6705701715133465
Energy: 0.5912727649425882
Energy: 0.5463342901217441
Energy: 0.6320055974705835
Energy: 0.6634137987601793
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Energy: 0.684658941567201
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Energy: 0.6081765886376964
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Energy: 0.5448004024607801
Energy: 0.6717970084300997
Energy: 0.6604673582719712
Energy: 0.6327501235432783
Energy: 0.5394321433040761
Energy: 0.5786419938740722
Energy: 0.6744762509879916
Energy: 0.6504771008589264
Energy: 0.5978957693210457
Energy: 0.7242600525176675
Energy: 0.67872659019625
Energy: 0.6572130652607068
Energy: 0.6919534287711441
Energy: 0.6708053775479221
Energy: 0.6742784848913882
Energy: 0.673399488507467
Energy: 0.656298004838271
Energy: 0.6589951030849938
Energy: 0.6547201807397334
Energy: 0.49451258979437696
Energy: 0.5975785912908764
Energy: 0.6613416636781437
Energy: 0.5922638894128329
Energy: 0.6095580675546892
Energy: 0.5278938046331778
Energy: 0.6879401662260342
Energy: 0.6590153872235934
Energy: 0.5888828247862171
Energy: 0.5418399652867624
Energy: 0.5415816757838537
Energy: 0.5622482227963955
Energy: 0.5851573374740379
Energy: 0.5713096568406942
Energy: 0.6250533031008564
Energy: 0.6074581011512061
Energy: 0.5617144130953541
Energy: 0.5832455904644077
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Energy: 0.5400731088190713
Energy: 0.5489432648425018
Energy: 0.6072484432955254
Energy: 0.5617796397780251
Energy: 0.6057829633421825
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Energy: 0.6017457724692479
Energy: 0.5882546529089866
Energy: 0.562192482769944
Energy: 0.5413947674243147
Energy: 0.5423302003597297
Energy: 0.511795933142765
Energy: 0.6701454061827178
Energy: 0.6370853373013796
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Energy: 0.5482458176979987
Energy: 0.5605834123420735
Energy: 0.6957152305070564
Energy: 0.7009390188400674
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Energy: 0.5431661320598294
Energy: 0.6651060345841712
Energy: 0.6685822207763296
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Energy: 0.5468618773379803
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Energy: 0.6671059998925967
Energy: 0.6685496155295241
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Energy: 0.6275888236611269
Energy: 0.6971924310533929
Energy: 0.6706292704363799
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Energy: 0.6577797651670453
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Energy: 0.6695863646034651
Energy: 0.6028436794167541
Energy: 0.5943495848689363
Energy: 0.6877810404294737
Energy: 0.6562703023780164
Energy: 0.49357139915418946
Energy: 0.49517097207140864
Energy: 0.667099994705344
Energy: 0.6858578497239798
Energy: 0.6612015656443003
Energy: 0.5902746785280497
Energy: 0.6104359890669988
Energy: 0.6571318276825252
Energy: 0.6680373464184974
Energy: 0.5896694921917661
Energy: 0.5002641293281652
Energy: 0.4941731264398393
Energy: 0.6881210254601203
Energy: 0.6713838775714227
Energy: 0.5918869765293847
Energy: 0.5470745493112831
Energy: 0.5762240047025191
Energy: 0.6590632896686884
Energy: 0.5925762331990182
Energy: 0.6083507354881423
Energy: 0.5357664905971348
Energy: 0.6053832230951957
Energy: 0.6408991595954511
Energy: 0.5967769794136157
Energy: 0.6017214232781412
Energy: 0.5758390416910635
Energy: 0.5438370063507995
Energy: 0.562588158875042
Energy: 0.6493668295251395
Energy: 0.5371060132857033
Energy: 0.6136293888132989
Energy: 0.508393193113342
Energy: 0.5821817396213526
Energy: 0.601014904211899
Energy: 0.6092139882899027
Energy: 0.6007463814662546
Energy: 0.6011157932876495
Energy: 0.5620317199079996
Energy: 0.5595536145389669
Energy: 0.5438051003731693
Energy: 0.5449160796003311
Energy: 0.5861230728703805
Energy: 0.6520688420589086
Energy: 0.6055876661682014
Energy: 0.5125131674938287
Energy: 0.5636718696842024
Energy: 0.6298751044133877
Energy: 0.688984230190515
Energy: 0.7433257059922723
Energy: 0.658132248612527
Energy: 0.7189533641144521
Energy: 0.668053237193918
Energy: 0.6686455316541068
Energy: 0.5091873601709204
Energy: 0.6354388064570496
Energy: 0.6028331140457864
Energy: 0.6690806055005009
Energy: 0.6673151455376185
Energy: 0.6512413306426377
Energy: 0.6297557626507307
Energy: 0.6799502546336124
Energy: 0.6415318954526595
Energy: 0.5094313398669077
Energy: 0.5119294639249947
Energy: 0.538358210275494
Energy: 0.6623672588251482
Energy: 0.6483620713906194
Energy: 0.7203128615093705
Energy: 0.7866747935357212
Energy: 0.6611534959739533
Energy: 0.6460902883533515
Energy: 0.6501924900294276
Energy: 0.6543729400163121
Energy: 0.6543525220641644
Energy: 0.6693057977491274
Energy: 0.6778941073951223
Energy: 0.6482570642117143
Energy: 0.690779207990896

minimum gb energy = 0.49357139915418946 eV
minimum distance =  2.62289521966927 Angstroms
sigma value = 75


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

Energy: 0.9938135084311597
Energy: 0.716309663252755
Energy: 0.6245310577309489
Energy: 0.6372503689801442
Energy: 0.6080102049743323
Energy: 0.6031407428518971
Energy: 0.6234713644102923
Energy: 0.6330326479742132
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Energy: 0.6452524727213649
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Energy: 0.633244746577891
Energy: 0.638170989914417
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Energy: 0.632586898841399
Energy: 0.6260314164900099
Energy: 0.6433920694198572
Energy: 0.6589710418137369
Energy: 0.6366350766463496
Energy: 0.6814515405838575
Energy: 0.5927175182028355
Energy: 0.6371966751229882
Energy: 0.6433852696344866
Energy: 0.6393761130083601
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Energy: 0.5920724705272253
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Energy: 0.664763075429715
Energy: 0.6395979378775716
Energy: 0.6228977901038587
Energy: 0.6061267173615814
Energy: 0.6510157843684611
Energy: 0.6523921488578649
Energy: 0.6412596726253642
Energy: 0.60231074891058
Energy: 0.6173527916962925
Energy: 0.6198464925993766
Energy: 0.6615042270775974
Energy: 0.6410485669310959
Energy: 0.6203005396986884
Energy: 0.5946603535204694
Energy: 0.7342619104467342
Energy: 0.6590991416220292
Energy: 0.5897816440754696
Energy: 0.6221705956633035
Energy: 0.5919179538654755
Energy: 0.7398138063135645
Energy: 0.6533370231842658
Energy: 0.6362356265064949
Energy: 0.6043040877908753
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Energy: 0.6670083984562765
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Energy: 0.6403246333159416
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Energy: 0.6554342191264946
Energy: 0.639910102858712
Energy: 0.6068866253349418
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Energy: 0.6257284691048932
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Energy: 0.5891963806672251
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minimum gb energy = 0.5723205552783791 eV
minimum distance =  2.61958768166528 Angstroms
sigma value = 105


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

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Energy: 0.6330499607241513
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Energy: 0.6435458761456218
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Energy: 0.7422812014919019
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Energy: 0.6218392336789335
Energy: 0.6395868115964382
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Energy: 0.6403159746547525
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Energy: 0.6117430993560057
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Energy: 0.611186061349677
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Energy: 0.6147112716537485
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Energy: 0.6393273550012286
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Energy: 0.6190560470009979
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Energy: 0.6339496345882911
Energy: 0.6329155495472756
Energy: 0.6118261855259869
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Energy: 0.6338297609653551
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Energy: 0.6132589421461196
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Energy: 0.6173478136522527
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Energy: 0.6251794246887542
Energy: 0.6190686480362729
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Energy: 0.6233859285870716
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Energy: 0.6365801203455103
Energy: 0.6385133377590352
Energy: 0.6329435267322705
Energy: 0.6397970142509742
Energy: 0.6301483129695616
Energy: 0.6366182074132344
Energy: 0.6345677717275007
Energy: 0.6418772444453389
Energy: 0.6340379323147816
Energy: 0.6326087126345377
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Energy: 0.6586845985212968
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Energy: 0.633262085166101
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Energy: 0.6504831579573659
Energy: 0.5994508060598635
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Energy: 0.6133618986288252
Energy: 0.6567115171614278
Energy: 0.6336553166256979
Energy: 0.6587863029078942
Energy: 0.6338108171663303
Energy: 0.6526674510667048
Energy: 0.6448205942040235
Energy: 0.6334132016247148
Energy: 0.6580361940537465
Energy: 0.6357196845263586
Energy: 0.6519734589308794
Energy: 0.6451593128390964
Energy: 0.6630361814768275
Energy: 0.6316146395054143
Energy: 0.6487475852289704
Energy: 0.6328101145724468
Energy: 0.6328046030004837
Energy: 0.6293593254718163
Energy: 0.6312756913848319
Energy: 0.6360430760890687
Energy: 0.6324297320990656
Energy: 0.632375525470788
Energy: 0.6314286840263856
Energy: 0.653788173287584
Energy: 0.6648467282366181
Energy: 0.6362702422408861
Energy: 0.6352415730952425
Energy: 0.6285540283732295
Energy: 0.6882540451306235
Energy: 0.66035151075884
Energy: 0.6334477089321042
Energy: 0.6649535516305937
Energy: 0.6598872693086973
Energy: 0.6482275904098479
Energy: 0.6321137859378373
Energy: 0.6309873275686825
Energy: 0.6750910315506318
Energy: 0.6369133374073824
Energy: 0.6496738767509761
Energy: 0.6309537591467442
Energy: 0.6307785811375748
Energy: 0.6076001477029895
Energy: 0.6501598767636253
Energy: 0.64466919058714
Energy: 0.6342431586805383
Energy: 0.629521263357538
Energy: 0.6207458597185672
Energy: 0.632524261532996
Energy: 0.6149422105737965
Energy: 0.6308093965986409
Energy: 0.630807273944168
Energy: 0.6587523911472771
Energy: 0.6565118189354954
Energy: 0.630203833271622
Energy: 0.6431577530640947
Energy: 0.6301557167615001
Energy: 0.6750248615152105
Energy: 0.6153645819827566
Energy: 0.6409216563054313
Energy: 0.6608018233771055
Energy: 0.6303589197135081
Energy: 0.6729615241378667
Energy: 0.6338162242648674
Energy: 0.6132050672951647
Energy: 0.6179754085112902
Energy: 0.6176837111183134
Energy: 0.6294472676327935
Energy: 0.6033923100437116
Energy: 0.6131933821353899
Energy: 0.6150301601389212
Energy: 0.6480493741686311
Energy: 0.6365773801544848
Energy: 0.608054556719086
Energy: 0.6074342792951051
Energy: 0.6297339296148332
Energy: 0.6288787977707648
Energy: 0.6084583063274676
Energy: 0.6708515194415947
Energy: 0.6096244817718005
Energy: 0.6159697144025692
Energy: 0.626152528411473
Energy: 0.6460482742223165

minimum gb energy = 0.5973260070768115 eV
minimum distance =  2.62919155252354 Angstroms
sigma value = 165


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

Energy: 0.7523167221613413
Energy: 0.5757818801889784
Energy: 0.5804620239725096
Energy: 0.6086261352875734
Energy: 0.5754261517220178
Energy: 0.752471057960191
Energy: 0.5914352168186416
Energy: 0.5806015038533554
Energy: 0.6083298295502841
Energy: 0.5755905051977694
Energy: 0.6214855400939228
Energy: 0.6096271753979484
Energy: 0.6116123768543289
Energy: 0.5974274630685438
Energy: 0.6000207734636847
Energy: 0.6089850486431919
Energy: 0.6094411168130094
Energy: 0.6024564220408675
Energy: 0.5977776868785615
Energy: 0.6261700589683752
Energy: 0.5975361019126906
Energy: 0.6198857516707208
Energy: 0.5823517031098231
Energy: 0.5985888907911779
Energy: 0.6091922033875985
Energy: 0.5978696799440322
Energy: 0.5991162697314527
Energy: 0.6433611692800458
Energy: 0.5986019943464652
Energy: 0.6319087608135042
Energy: 0.6152587030978439
Energy: 0.597151820232516
Energy: 0.5986322629679702
Energy: 0.5998890823621821
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Energy: 0.6190313280681027
Energy: 0.6040424369955476
Energy: 0.5985695562911774
Energy: 0.5995836609502385
Energy: 0.6295236272363899
Energy: 0.6100142378357789
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Energy: 0.6005937493447362
Energy: 0.601524109714051
Energy: 0.5992629985654201
Energy: 0.6076836885022848
Energy: 0.5974975865491501
Energy: 0.6017379120539039
Energy: 0.6013926266386002
Energy: 0.5961431687548803
Energy: 0.5948758449242728
Energy: 0.5905352584804322
Energy: 0.5760612978408354
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Energy: 0.588659793259732
Energy: 0.5755291776329373
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Energy: 0.6088000942776386
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Energy: 0.5877085267306441
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Energy: 0.6068369469462987
Energy: 0.5970674028133429
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Energy: 0.6007585355016326
Energy: 0.6093356916003544
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Energy: 0.5969441552331838
Energy: 0.5892307273722468
Energy: 0.6002503646283951
Energy: 0.5764257002502511
Energy: 0.5761013139614675
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Energy: 0.5866788012826943
Energy: 0.600980430382227
Energy: 0.5977010616391899
Energy: 0.5800969510216222
Energy: 0.6086811379250022
Energy: 0.6087076833655962
Energy: 0.6000881939288185
Energy: 0.6068914533205421
Energy: 0.6282872636532083
Energy: 0.6087148442613983
Energy: 0.6036180395545462
Energy: 0.599082023749827
Energy: 0.6087031328926227
Energy: 0.6263973828366061
Energy: 0.6084276791086982
Energy: 0.6031771987817433
Energy: 0.5991170400476299
Energy: 0.6088692646726495
Energy: 0.6014174191501999
Energy: 0.5984241470566745
Energy: 0.5988152394010522
Energy: 0.598376146339714
Energy: 0.6077598354409186
Energy: 0.5988353872907278
Energy: 0.6032706605007554
Energy: 0.599143573387141
Energy: 0.6200805847096189
Energy: 0.6185742668808593
Energy: 0.5979536607157819
Energy: 0.6022503778213513
Energy: 0.5999939415656215
Energy: 0.5983959540837193
Energy: 0.6188462785881947
Energy: 0.5982992883628485
Energy: 0.6041481904020085
Energy: 0.5998783934836766
Energy: 0.5981477963552787
Energy: 0.6190528005102767
Energy: 0.608147826276781
Energy: 0.6071919208579674
Energy: 0.5979304955785271
Energy: 0.6033507269952344
Energy: 0.5891688749374946
Energy: 0.5952746178114271
Energy: 0.6009611158265136
Energy: 0.5980772647472066
Energy: 0.604787761590944
Energy: 0.5894813843274055
Energy: 0.5987779445563189
Energy: 0.6076553007836866
Energy: 0.6095562982593083
Energy: 0.5744752581250057
Energy: 0.5976815026428947
Energy: 0.6207328998043171
Energy: 0.6062737024228251
Energy: 0.6059554473998773
Energy: 0.5766011032803615
Energy: 0.5973059493079813
Energy: 0.5775620964967592
Energy: 0.5996809979859684
Energy: 0.6091485470384269
Energy: 0.5807942414048248
Energy: 0.6093052885836491
Energy: 0.6215484910392115
Energy: 0.5989094106994299
Energy: 0.6100541699940314
Energy: 0.5809956424443612
Energy: 0.6088535442488375

minimum gb energy = 0.5744752581250057 eV
minimum distance =  2.65504886320174 Angstroms
sigma value = 41


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

Energy: 1.0340849779291246
Energy: 0.5581391677552021
Energy: 0.5429925000452748
Energy: 0.537794903932298
Energy: 0.5417329680987751
Energy: 0.5340647291960675
Energy: 0.5412751852089293
Energy: 0.5541622476883803
Energy: 0.551311035373399
Energy: 0.557609170858954
Energy: 0.5700181827716925
Energy: 0.5496501396743357
Energy: 0.5383365096072742
Energy: 0.537601685666558
Energy: 0.5251340734543537
Energy: 0.5359674457853764
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Energy: 0.5490561252536461
Energy: 0.5480722712658791
Energy: 0.5550154796112877
Energy: 0.5544586733818231
Energy: 0.5923950380488768
Energy: 0.5932977868960368
Energy: 0.550239674013735
Energy: 0.572208920392694
Energy: 0.540939153012286
Energy: 0.5829814400757128
Energy: 0.5843940783742761
Energy: 0.5894604856711225
Energy: 0.5741640089278792
Energy: 0.5716572740571638
Energy: 0.5547351857206078
Energy: 0.5594453584836021
Energy: 0.542452469665932
Energy: 0.6613636098348882
Energy: 0.5677638350031611
Energy: 0.554597380296994
Energy: 0.5548819059737505
Energy: 0.5538603796807395
Energy: 0.6630483961242671
Energy: 0.5718338514625265
Energy: 0.5594198805013554
Energy: 0.5576630475086597
Energy: 0.5680045086394256
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Energy: 0.5384046960553357
Energy: 0.5548610996728907
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Energy: 0.55533647571109
Energy: 0.6008730725625292
Energy: 0.577328135668407
Energy: 0.577035823170177
Energy: 0.5813146263033433
Energy: 0.5586742969753746
Energy: 0.5495730443520035
Energy: 0.5747619087659315
Energy: 0.5531070688195971
Energy: 0.5769264001010275
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Energy: 0.5609027204323489
Energy: 0.5868813638926526
Energy: 0.560761308968089
Energy: 0.5599933866875304
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Energy: 0.5641107808933302
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Energy: 0.682120647521136
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Energy: 0.6351208639595445
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Energy: 0.5614175266655437
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Energy: 0.5493700705613684
Energy: 0.5878561294404852
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Energy: 0.554399088269669
Energy: 0.5686417072725234
Energy: 0.5416000504767946
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Energy: 0.575068608356812
Energy: 0.5443477021145592
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Energy: 0.54822059427177
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Energy: 0.5566180391295934
Energy: 0.5380470131906347
Energy: 0.5579006791863652
Energy: 0.5504688579462188
Energy: 0.6173047512906339
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Energy: 0.5743919089949316
Energy: 0.5489726137801754
Energy: 0.5675657468948833
Energy: 0.597143635306075
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Energy: 0.5488638524867954
Energy: 0.5660414935371018
Energy: 0.5589713923467143
Energy: 0.5573670732418619
Energy: 0.5489236598273599
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Energy: 0.5635053383827034
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Energy: 0.5485620538449099
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Energy: 0.549234214126895
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Energy: 0.6101521986642814
Energy: 0.5713318007659655
Energy: 0.5626558161700794
Energy: 0.5491770514568123
Energy: 0.5893657447241459
Energy: 0.6070795010522649
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Energy: 0.5595221255559836
Energy: 0.5500708597526024
Energy: 0.5906207622880512
Energy: 0.6071382349138431
Energy: 0.5627387806066725
Energy: 0.5562030528844518
Energy: 0.5351219578217418
Energy: 0.5655569765761771
Energy: 0.5620791223460891
Energy: 0.5621865094647027
Energy: 0.5562043744210184
Energy: 0.5488947542564916
Energy: 0.5744265679842467
Energy: 0.5615456948295895
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Energy: 0.5647862032721856
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Energy: 0.5646736358379475
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Energy: 0.5571565266336749
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Energy: 0.5596954108025076
Energy: 0.5715972412343542
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Energy: 0.5571089316024372
Energy: 0.544756084251084
Energy: 0.5446080484649368
Energy: 0.5435792249812921
Energy: 0.5446871972536865
Energy: 0.5450831168931203
Energy: 0.5491278082730537
Energy: 0.5479178774994221
Energy: 0.5462708197633801
Energy: 0.5425573973480022
Energy: 0.5581413492373185
Energy: 0.5437760077830636
Energy: 0.573618929238848
Energy: 0.5378783506971226
Energy: 0.5678573784709026
Energy: 0.5585424192456951
Energy: 0.538273446659353
Energy: 0.5638798755565653
Energy: 0.5519811957821836
Energy: 0.5696675797228264
Energy: 0.5467230942954349
Energy: 0.5802387054571493
Energy: 0.5568790415335209
Energy: 0.5409372969017324
Energy: 0.5375876534576051
Energy: 0.5441348465350416
Energy: 0.5270930493016189
Energy: 0.552993483466296
Energy: 0.5450476836042427
Energy: 0.5680331572621337
Energy: 0.5746958912792282
Energy: 0.5491176329647297
Energy: 0.597946295486495
Energy: 0.6002997120583746
Energy: 0.5434519499232277
Energy: 0.5858985658234971
Energy: 0.5263990710452775
Energy: 0.5871643882177403
Energy: 0.5394083347151863
Energy: 0.5492107357808502

minimum gb energy = 0.5251340734543537 eV
minimum distance =  2.64602197728914 Angstroms
sigma value = 185


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

Energy: 0.25500263688767727
Energy: 0.23538083162657855
Energy: 0.3157670325218552
Energy: 0.2984715248379074
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Energy: 0.21380657881261475
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Energy: 0.3110402799656842
Energy: 0.3479195378717117
Energy: 0.31903187568859803
Energy: 0.2148515844721776
Energy: 0.21581277063148918
Energy: 0.30657358762405945
Energy: 0.31766224002966065
Energy: 0.3005578950098765
Energy: 0.2354800625229475
Energy: 0.23466086740501405
Energy: 0.3169775290419561
Energy: 0.31299081399345435
Energy: 0.29441527019247704
Energy: 0.30773099478216576
Energy: 0.3089789566953206
Energy: 0.298693848255554
Energy: 0.31892333275866364
Energy: 0.3057003809817987
Energy: 0.3079028522681637
Energy: 0.32730811187955583
Energy: 0.3178631818574469
Energy: 0.31362742395514237
Energy: 0.3093420263392005
Energy: 0.256263791431683
Energy: 0.29830422467044526
Energy: 0.32477245634911533
Energy: 0.345009146517023
Energy: 0.30552837922063925
Energy: 0.21418837885478176
Energy: 0.3012535850671587
Energy: 0.31424488712772053
Energy: 0.34268354669306206
Energy: 0.2562802962397397

minimum gb energy = 0.2134319303723872 eV
minimum distance =  2.73013675409036 Angstroms
sigma value = 33


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

Energy: 0.8494462794244875
Energy: 0.4997611433763772
Energy: 0.5074782257021732
Energy: 0.48486191829831
Energy: 0.4714861641584151
Energy: 0.471692934234066
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Energy: 0.4900790953959206
Energy: 0.5202531795982264
Energy: 0.49200172760947225
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Energy: 0.4925339676284068
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Energy: 0.48939386973064486
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Energy: 0.5172460646694447
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Energy: 0.5031438938132935
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Energy: 0.5417585708662064
Energy: 0.48974803400369327
Energy: 0.4902091805757091
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Energy: 0.48908239314360163
Energy: 0.5043281376236048
Energy: 0.5048509472397512
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Energy: 0.47715901118556026
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Energy: 0.4769430373783236
Energy: 0.4843840073586593
Energy: 0.5181280599999364
Energy: 0.5124537402335974

minimum gb energy = 0.4704826812720521 eV
minimum distance =  2.65049291984918 Angstroms
sigma value = 219


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

Energy: 0.8523721256039863
Energy: 0.6263787445508922
Energy: 0.6246134599941568
Energy: 0.6241417732223805
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Energy: 0.6111342405100533
Energy: 0.6821782950283224
Energy: 0.6404989409370299
Energy: 0.61538981790737
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Energy: 0.6110286045398874
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Energy: 0.6402813048393798
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Energy: 0.6154226527203495
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Energy: 0.6346430949178175
Energy: 0.6142324198296623
Energy: 0.6095474536903934
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Energy: 0.6139849504142326
Energy: 0.6145913563268953
Energy: 0.6151231628121763
Energy: 0.610565337886667
Energy: 0.6105867309559709
Energy: 0.6514000022379008
Energy: 0.6345775528196219
Energy: 0.6154104114298631
Energy: 0.61598202838332
Energy: 0.6094369534770356
Energy: 0.6151430674058682
Energy: 0.6143403540791805
Energy: 0.6137304611458493
Energy: 0.6142836501007302
Energy: 0.6096885713670167
Energy: 0.6391076895751435
Energy: 0.6144761110366694
Energy: 0.6144952721503043
Energy: 0.6100804379683091
Energy: 0.626770920145598
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Energy: 0.6146041187967445
Energy: 0.6139592716215565
Energy: 0.6111628631682693
Energy: 0.6135147694131309
Energy: 0.6138061629845403
Energy: 0.6155765372016493
Energy: 0.6135856040954102

minimum gb energy = 0.606339948071394 eV
minimum distance =  2.65956735269241 Angstroms
sigma value = 15


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

Energy: 0.9899934827952144
Energy: 0.6971602638885923
Energy: 0.7115540278818079
Energy: 0.7045899155999437
Energy: 0.7248642085052132
Energy: 0.6871628686196666
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Energy: 0.7078662934689993
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Energy: 0.6963118589535949
Energy: 0.6978056252060105
Energy: 0.7015160185304742
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Energy: 0.7053854364046882
Energy: 0.6921670371228671
Energy: 0.6944055517940887
Energy: 0.713413846347918
Energy: 0.7013139688517376
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Energy: 0.7149674641158302
Energy: 0.690876760808445
Energy: 0.7244960976230801
Energy: 0.7109077155746494
Energy: 0.7164458668865682
Energy: 0.7580693158354056
Energy: 0.7246429928521781
Energy: 0.7084701791682324
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minimum gb energy = 0.6799295707279304 eV
minimum distance =  2.61839003519311 Angstroms
sigma value = 293


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

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Energy: 0.7300030758875866
Energy: 0.6880224653461625
Energy: 0.746773233906954
Energy: 0.7003515487399615
Energy: 0.6972823872194162
Energy: 0.7294107049514025
Energy: 0.6881605594172092
Energy: 0.7468314854724192
Energy: 0.7086384610472152
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Energy: 0.6942762182545121
Energy: 0.6974765656975666
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Energy: 0.6949769959143096
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Energy: 0.6716810048140319
Energy: 0.7166411187187428
Energy: 0.6938221039623673
Energy: 0.6992997549152709
Energy: 0.7065969497866306
Energy: 0.6667353344912784
Energy: 0.7167500551165918
Energy: 0.6950683680459805
Energy: 0.7001528674732327
Energy: 0.7032043618389354
Energy: 0.7002397523783183
Energy: 0.6858391976555059
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Energy: 0.6874917637770648
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Energy: 0.6963313666859114
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Energy: 0.6959786688915576
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Energy: 0.6943567157577837
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Energy: 0.7028269868554753
Energy: 0.716928093802043
Energy: 0.6990402000203519
Energy: 0.7180300729441423
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Energy: 0.6840248209310826
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Energy: 0.6986061953819138
Energy: 0.716905273093569
Energy: 0.7378071385410955
Energy: 0.6976571901803462
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Energy: 0.7208710595614792
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Energy: 0.724173878609552
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Energy: 0.6932470544571733
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Energy: 0.6933202885369224
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Energy: 0.6992248143114536
Energy: 0.6933186391166334
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Energy: 0.7141959111088662
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Energy: 0.6997898037082461
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Energy: 0.6932691954553848
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Energy: 0.6983032769926077
Energy: 0.667340189508082
Energy: 0.66717400782263
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Energy: 0.6907378432396919
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Energy: 0.6979012754673344
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Energy: 0.6919897942829041
Energy: 0.6967397071554006
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Energy: 0.6965974441607076
Energy: 0.6876820381410557
Energy: 0.6922992705283016
Energy: 0.6967437126003384
Energy: 0.6970941589230782
Energy: 0.6730820059006135
Energy: 0.6879795940194331
Energy: 0.7300918063907741
Energy: 0.7260981464515098
Energy: 0.7084043073050488
Energy: 0.7010780703171522
Energy: 0.6996322923307269
Energy: 0.7326423117107329
Energy: 0.7261302373649201
Energy: 0.8417691174309216
Energy: 0.7284736943709557
Energy: 0.6952279907445197
Energy: 0.6887678420645049
Energy: 0.6883737560808583
Energy: 0.7102698353048322
Energy: 0.7099498114061934
Energy: 0.6950898342798395
Energy: 0.6965143074433705
Energy: 0.7050198160101734
Energy: 0.6689449518725041
Energy: 0.6952626771138032
Energy: 0.689622152918526
Energy: 0.7029023933713763
Energy: 0.7463962677289965
Energy: 0.6950811550282183
Energy: 0.6952871290192509
Energy: 0.6903792694114329
Energy: 0.6886768676445302
Energy: 0.7235461645351945
Energy: 0.7371204123883693
Energy: 0.7002131893273165
Energy: 0.6990337327058366
Energy: 0.7165518514352476
Energy: 0.701809207349843
Energy: 0.6834505798620044
Energy: 0.7003721363904144
Energy: 0.6988206913856466
Energy: 0.7169864159165887
Energy: 0.7024643690753285
Energy: 0.7026647608687259
Energy: 0.6962249524607116
Energy: 0.7062083743193526
Energy: 0.7256486569474427
Energy: 0.6966026700724134
Energy: 0.7488963243406359
Energy: 0.7098254629527654
Energy: 0.7075668622292262
Energy: 0.7262554683335352
Energy: 0.6972417434075985
Energy: 0.6988063951795499
Energy: 0.699895749272935
Energy: 0.6934041126879911
Energy: 0.692792084372512
Energy: 0.6877648822754955
Energy: 0.7470384698111677
Energy: 0.7005091398809549
Energy: 0.688062818883526
Energy: 0.7291672790768489
Energy: 0.6877435257166475
Energy: 0.7467696653806887
Energy: 0.6678205380600349
Energy: 0.7100088318102346
Energy: 0.6993049460359093
Energy: 0.6922120283495058
Energy: 0.6979178284797167
Energy: 0.7152979386219682
Energy: 0.6992054071803159
Energy: 0.726278347195982
Energy: 0.6927214836752001
Energy: 0.6909479824220749

minimum gb energy = 0.6667353344912784 eV
minimum distance =  2.622128663814 Angstroms
sigma value = 293


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

Energy: 0.6419554038703282
Energy: 0.6477409061897536
Energy: 0.663801516486615
Energy: 0.6908473030651571
Energy: 0.647335336075367
Energy: 0.6422374100106644
Energy: 0.6624432433277586
Energy: 0.6600568250383815
Energy: 0.6904905663271953
Energy: 0.6470840544926822
Energy: 0.6501920447356623
Energy: 0.6576940833491836
Energy: 0.6561154473259594
Energy: 0.6644151166319184
Energy: 0.6638726654186465
Energy: 0.6936416127047219
Energy: 0.6577175165100837
Energy: 0.659470772275264
Energy: 0.6650192518789702
Energy: 0.6888095643951927
Energy: 0.6639426446122358
Energy: 0.6575402233397034
Energy: 0.6582657209142462
Energy: 0.6623407480997061
Energy: 0.6931620209596863
Energy: 0.6641466584621167
Energy: 0.6663067638051368
Energy: 0.6581923282836804
Energy: 0.7125336791941221
Energy: 0.7094622810822313
Energy: 0.6637523462787588
Energy: 0.6471145276218
Energy: 0.646606184031733
Energy: 0.6634162885889019
Energy: 0.6588573422312353
Energy: 0.6652626379930534
Energy: 0.6456143818485812
Energy: 0.6467777380884799
Energy: 0.6632215750756967
Energy: 0.6440311329445726
Energy: 0.68969639864734
Energy: 0.6477752753830486
Energy: 0.6449660807807786
Energy: 0.6954599843769798
Energy: 0.6624714675761817
Energy: 0.6641564329427653
Energy: 0.647521826074071
Energy: 0.6451366551059691
Energy: 0.6670575112642078
Energy: 0.6636495267860999
Energy: 0.6596892323802654
Energy: 0.7126293751201145
Energy: 0.6628133255435301
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Energy: 0.6585336502699214
Energy: 0.7088106721136912
Energy: 0.6910720619211033
Energy: 0.6577023535904943
Energy: 0.6579664298102097
Energy: 0.6623811806795776
Energy: 0.6446558024582321
Energy: 0.663974276093622
Energy: 0.6578816717476992
Energy: 0.6628845134727317
Energy: 0.6605962726575048
Energy: 0.644178115893079
Energy: 0.6640852861572136
Energy: 0.6580002036357727
Energy: 0.6597005037488533
Energy: 0.6884321945907009
Energy: 0.7140743148176795
Energy: 0.6612122161058287
Energy: 0.6445956002453795
Energy: 0.6475613455876781
Energy: 0.6896078087954378
Energy: 0.698140764164831
Energy: 0.6610881146456814
Energy: 0.6442498902531978
Energy: 0.6474553282494684
Energy: 0.6576368172715259
Energy: 0.6596183882282571
Energy: 0.6646207961063885
Energy: 0.6460445306717477
Energy: 0.6993573206708724
Energy: 0.6578104870884864
Energy: 0.664937921162259
Energy: 0.6645839507430737
Energy: 0.6458789838694678
Energy: 0.6607519205895929
Energy: 0.6578326584212918
Energy: 0.6586787952053741
Energy: 0.7134609733825539
Energy: 0.7139763762841029
Energy: 0.6901884332513982
Energy: 0.6589663748795487
Energy: 0.6592276121776215
Energy: 0.712657855626676
Energy: 0.6923937420814087
Energy: 0.6562259353352562
Energy: 0.6488447682476123
Energy: 0.663616605932171
Energy: 0.6912171181992751
Energy: 0.7116075172874217
Energy: 0.7002458139331245
Energy: 0.6477788516925558
Energy: 0.664090413628139
Energy: 0.6435236781058097
Energy: 0.7130284565541049
Energy: 0.6993070759858316
Energy: 0.6420407170962256
Energy: 0.6609976128490164
Energy: 0.6602589596115188
Energy: 0.691184345695847
Energy: 0.6474538496550686
Energy: 0.6424074814291922
Energy: 0.661979155797374
Energy: 0.7166679342516121
Energy: 0.6639996676335422
Energy: 0.6472990187024411
Energy: 0.6970994700831051
Energy: 0.6579591872635128
Energy: 0.6557415458943795
Energy: 0.6643807060107584
Energy: 0.6882961922162265
Energy: 0.6937244493993614
Energy: 0.6575391485876928
Energy: 0.6592615907882295
Energy: 0.664786804289115
Energy: 0.6888806017424484
Energy: 0.6639460744555583
Energy: 0.6567316587541815
Energy: 0.6582485661994559
Energy: 0.7167387524958605
Energy: 0.6935469102049445
Energy: 0.6641577795629839
Energy: 0.6591161292136057
Energy: 0.6580110617280758
Energy: 0.7147612950599898
Energy: 0.6618759623600843
Energy: 0.6619129296142682
Energy: 0.6464446104880927
Energy: 0.6465909802559648
Energy: 0.6638710682503793
Energy: 0.659258812492008
Energy: 0.6625625296208327
Energy: 0.6454118240007961
Energy: 0.6468973044003147
Energy: 0.663209775059312
Energy: 0.7120099282547416
Energy: 0.6649646836102588
Energy: 0.6477419636925235
Energy: 0.6446830376698924
Energy: 0.6624894475150108
Energy: 0.6619956939378834
Energy: 0.6641652547289801
Energy: 0.647541806025547
Energy: 0.6450756288721912
Energy: 0.6648544910967288
Energy: 0.6634111885897427
Energy: 0.6594688707677834
Energy: 0.7095129686176843
Energy: 0.6628165952574827
Energy: 0.6572957309323718
Energy: 0.6587146421596456
Energy: 0.6582713677914493
Energy: 0.7089591373818339
Energy: 0.6905465025355774
Energy: 0.6577779277400168
Energy: 0.6582651407361642
Energy: 0.712014734656904
Energy: 0.6447236284175155
Energy: 0.6638293762228558
Energy: 0.6584057770982399
Energy: 0.6967571218601444
Energy: 0.7123390297614515
Energy: 0.6439174770080877
Energy: 0.6640222176946387
Energy: 0.6585822661553942
Energy: 0.6602735993966997
Energy: 0.6889908267909175
Energy: 0.71401198094385
Energy: 0.6624449618383287
Energy: 0.6445470508552188
Energy: 0.6475643417718223
Energy: 0.6901323355196529
Energy: 0.6970834254739522
Energy: 0.6611425154108331
Energy: 0.6439569953793249
Energy: 0.6476315332726056
Energy: 0.6581304490337219
Energy: 0.6598509428282618
Energy: 0.6644292840182289
Energy: 0.6461028895389248
Energy: 0.6933819258589596
Energy: 0.657815349426057
Energy: 0.6639797317576029
Energy: 0.6644928927057039
Energy: 0.6459992738781924
Energy: 0.6612947928131303
Energy: 0.6579141913714578
Energy: 0.6587972916461403
Energy: 0.7121304421797656
Energy: 0.6926277447492258
Energy: 0.6914956531255659
Energy: 0.6585487330910174
Energy: 0.6595055733131432
Energy: 0.710786932071023
Energy: 0.6903632928544868
Energy: 0.6552188608336021
Energy: 0.6474133157942943
Energy: 0.6633515922495707
Energy: 0.691162204687123
Energy: 0.6599823660164444
Energy: 0.6964505118188058
Energy: 0.6470063266452859
Energy: 0.663557832684374
Energy: 0.6435679674439062
Energy: 0.6607402137198374
Energy: 0.6963339870203303

minimum gb energy = 0.6419554038703282 eV
minimum distance =  2.64287295722791 Angstroms
sigma value = 15


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

Energy: 1.0475667358620266
Energy: 0.692761884925851
Energy: 0.7091929415403805
Energy: 0.6689377912412939
Energy: 0.6739099886379409
Energy: 0.6683686530459031
Energy: 0.7164268456769839
Energy: 0.7104387547373776
Energy: 0.6884083945144799
Energy: 0.7177771265149473
Energy: 0.6556750208626687
Energy: 0.7268024302201599
Energy: 0.6883111602756136
Energy: 0.6894848783052623
Energy: 0.7160235929583062
Energy: 0.6563888654743579
Energy: 0.715445645223182
Energy: 0.6880514704468608
Energy: 0.7123433524708345
Energy: 0.6887020833251039
Energy: 0.7541912437361156
Energy: 0.7228350867484672
Energy: 0.7110309201387239
Energy: 0.7136683622462434
Energy: 0.7640845658840099
Energy: 0.761967805329351
Energy: 0.7242090115507357
Energy: 0.7112681113848672
Energy: 0.7037292079267218
Energy: 0.755167263249567
Energy: 0.7012487962586071
Energy: 0.6659520083043567
Energy: 0.6873996404668922
Energy: 0.7619219163679274
Energy: 0.7614431467663503
Energy: 0.7088219983177789
Energy: 0.6657044785566673
Energy: 0.6877091167277304
Energy: 0.75320930850473
Energy: 0.7551211786366026
Energy: 0.763876624108746
Energy: 0.7148239171419098
Energy: 0.7053914848245313
Energy: 0.672667197843024
Energy: 0.6558621054666177
Energy: 0.7567231663850281
Energy: 0.6884834722347996
Energy: 0.7172820527543778
Energy: 0.6730157951758323
Energy: 0.7120818859675189
Energy: 0.7097003167427447
Energy: 0.6686105949773954
Energy: 0.6756697614535937
Energy: 0.7571992178049236
Energy: 0.8040371983399034
Energy: 0.7036036487397271
Energy: 0.668700832930682
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Energy: 0.7692303455788342
Energy: 0.8428221154203989
Energy: 0.6706529243872585
Energy: 0.6689270171354827
Energy: 0.6746877157897396
Energy: 0.6933293224584043
Energy: 0.7192540318018761
Energy: 0.6723431464743099
Energy: 0.668433937811715
Energy: 0.6826465420697686
Energy: 0.6745781596430234
Energy: 0.7038516085366288
Energy: 0.6734289013224446
Energy: 0.6688270989282199
Energy: 0.6714829564441792
Energy: 0.7382882882218366
Energy: 0.7339091552642679
Energy: 0.6754642852628864
Energy: 0.66825234989977
Energy: 0.6842248356534878
Energy: 0.7380895105323028
Energy: 0.7475298887864038
Energy: 0.703675749233262
Energy: 0.8039061755348957
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Energy: 0.7307053039211157
Energy: 0.6918700535864212
Energy: 0.6948327864629481
Energy: 0.8038257837055222
Energy: 0.7120599214798238
Energy: 0.7473751810820884
Energy: 0.6748774407717116
Energy: 0.7268238376292935
Energy: 0.6933906948847715
Energy: 0.6786912760072661
Energy: 0.6767141173189718
Energy: 0.684420843364389
Energy: 0.6951958107446756
Energy: 0.6931717406098049
Energy: 0.6751753125820703
Energy: 0.6733929201200166
Energy: 0.6764187288041499
Energy: 0.6706109068553819
Energy: 0.7181465819976868
Energy: 0.684505293138286
Energy: 0.6766571161421518
Energy: 0.6819240344564825
Energy: 0.7256135228493314
Energy: 0.7256628302381829
Energy: 0.6846314253832659
Energy: 0.6732680524667224
Energy: 0.6775828477715763
Energy: 0.7604252383875603
Energy: 0.7162905997751271
Energy: 0.679457984623886
Energy: 0.6573430161726577
Energy: 0.7062407774543259
Energy: 0.7601917648208771
Energy: 0.7273358909064962
Energy: 0.6870540273108567
Energy: 0.6582837725502194
Energy: 0.7198141723740639
Energy: 0.716850950934754
Energy: 0.7192030957149156
Energy: 0.7573797694130177
Energy: 0.6696153605633457
Energy: 0.6909545453004685
Energy: 0.7339100455816655
Energy: 0.7002972564878317
Energy: 0.7565520875304863
Energy: 0.6822696193661028
Energy: 0.7373166147912275
Energy: 0.6905404320641538
Energy: 0.7223892229932225
Energy: 0.6587438422321373
Energy: 0.7359467452075671
Energy: 0.7028559283469209
Energy: 0.6910277783821297
Energy: 0.7233021582372066
Energy: 0.6512058630008803
Energy: 0.7286586068993299
Energy: 0.7056204115164871
Energy: 0.679253441991478
Energy: 0.710084216920775
Energy: 0.7618730090237508
Energy: 0.7163187027890914
Energy: 0.734428700857037
Energy: 0.6708071088917633
Energy: 0.70581218792536
Energy: 0.7591365771842593
Energy: 0.7280036459637784
Energy: 0.7184081931724869
Energy: 0.7370900321399415
Energy: 0.7632935798573931
Energy: 0.7121664034653152
Energy: 0.7141248394515008
Energy: 0.7129376428182601
Energy: 0.7274680098968472
Energy: 0.7597515634485887
Energy: 0.7073309414861034
Energy: 0.7115054454250499
Energy: 0.684856509892949
Energy: 0.7165509801691611
Energy: 0.7191809895745921
Energy: 0.7864411167114601
Energy: 0.7076055271295437
Energy: 0.730709379818575
Energy: 0.7158982850130671
Energy: 0.7258234151490418
Energy: 0.8192596109510506
Energy: 0.7097075632469783
Energy: 0.7373355581251131
Energy: 0.6780152507682908
Energy: 0.8098689006126509
Energy: 0.7783634399679188
Energy: 0.6827301326893902
Energy: 0.6829430905562609
Energy: 0.6755608732827965
Energy: 0.8019437579365514
Energy: 0.7785897192168638
Energy: 0.6755509967871938
Energy: 0.6836787475185073
Energy: 0.6769380187693693
Energy: 0.7192011072541072
Energy: 0.6759118418149775
Energy: 0.6725443014575193
Energy: 0.6710527587490229
Energy: 0.6748859299233947
Energy: 0.7472250130629418
Energy: 0.6750540258052176
Energy: 0.6732595917541842
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Energy: 0.6807678507246866
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Energy: 0.6786277898179445
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Energy: 0.6809240306022407
Energy: 0.8046717699087019
Energy: 0.6961304124989802
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Energy: 0.7019539569151251
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Energy: 0.7217747604814004
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Energy: 0.7187824478355388
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Energy: 0.7603080451325619
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Energy: 0.7637495825631455
Energy: 0.711751288378452
Energy: 0.770801670158309
Energy: 0.7298884001894838
Energy: 0.7604902710962125
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Energy: 0.669793668823529
Energy: 0.6773313473130039
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Energy: 0.7836852505091108
Energy: 0.6694157215353753
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Energy: 0.7924949361898845
Energy: 0.8425452468078216
Energy: 0.6720057753446398
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Energy: 0.7370520116042246
Energy: 0.6758639303083845
Energy: 0.6696556663703122
Energy: 0.6730036440756345
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Energy: 0.6760034543268737
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Energy: 0.7040240048241678
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Energy: 0.7318470812605387
Energy: 0.6680097282010795
Energy: 0.6998057829704778
Energy: 0.7809951777638959
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Energy: 0.6733226793953784
Energy: 0.6808467054644433
Energy: 0.6943361531201224
Energy: 0.8029321227848917
Energy: 0.6948403600273064
Energy: 0.6779533351235344
Energy: 0.6817109749839801
Energy: 0.7062462201725822
Energy: 0.7066745223038254
Energy: 0.6764191026962585
Energy: 0.674553139112219
Energy: 0.67417648866754
Energy: 0.7145504207620607
Energy: 0.7107971997201343
Energy: 0.6846650577606513
Energy: 0.6783100179736401
Energy: 0.6799428802472577
Energy: 0.7604923549653063
Energy: 0.7194258843944191
Energy: 0.6890517513011392
Energy: 0.6632856697350956
Energy: 0.7543545402114128
Energy: 0.7602812482087761
Energy: 0.7231363991638585
Energy: 0.6778480468744185
Energy: 0.6572398472765532
Energy: 0.7534007395360137
Energy: 0.7255053239567839
Energy: 0.6816946012118362
Energy: 0.7275522815740082
Energy: 0.6832595643846716
Energy: 0.7261169801223134
Energy: 0.7164628955480862
Energy: 0.6601348890103955
Energy: 0.6719940095852157
Energy: 0.6729006340217486
Energy: 0.7164221842552586
Energy: 0.6895861273600665
Energy: 0.7211280080547126
Energy: 0.766860106964358
Energy: 0.7052758699909716
Energy: 0.7019196293176061
Energy: 0.6897127107287365
Energy: 0.7183977628558844
Energy: 0.6681896323782621
Energy: 0.6954451331746468
Energy: 0.6906120740763085
Energy: 0.7033413090996594
Energy: 0.7046645178815852
Energy: 0.7590827058142768
Energy: 0.728740836734078
Energy: 0.7136069181374444
Energy: 0.692140758057236
Energy: 0.7105845190211341
Energy: 0.7614506559244204
Energy: 0.7270154661774878
Energy: 0.731934442803655
Energy: 0.7574112255942251
Energy: 0.757474983096327
Energy: 0.7578693202333674
Energy: 0.7578863337406206
Energy: 0.7169255166683232
Energy: 0.7640360725335912
Energy: 0.759757758225971
Energy: 0.7622468990050228
Energy: 0.7603736316280149
Energy: 0.659337209311821
Energy: 0.6886527977814105
Energy: 0.7375733749296985
Energy: 0.6646708216240061
Energy: 0.7426201294854391
Energy: 0.7290189024397007
Energy: 0.6986715061767532
Energy: 0.7294167029514325
Energy: 0.6619633698472512
Energy: 0.7370436430312886
Energy: 0.9427849140150694
Energy: 0.7884128762269988
Energy: 0.7793422148584893
Energy: 0.8032060472407393
Energy: 0.7180892137967526
Energy: 0.6836917695928233
Energy: 0.7328394811597994
Energy: 0.7784038419443697
Energy: 0.80710379549433
Energy: 0.7371828742740189
Energy: 0.6812030622641685
Energy: 0.6722576759658984
Energy: 0.7745032066946954
Energy: 0.6728764848476895
Energy: 0.6719100310972402
Energy: 0.669271731651619
Energy: 0.6727035120720587
Energy: 0.7661696686123058
Energy: 0.6728596937231499
Energy: 0.6706678560795224
Energy: 0.6698091207293957
Energy: 0.6749883131234886
Energy: 0.7312810168648256
Energy: 0.6741649528300089
Energy: 0.6722802418501549
Energy: 0.6686971995835999
Energy: 0.6584903637754111
Energy: 0.7309282715820814
Energy: 0.6916417955410622
Energy: 0.6719946004139322
Energy: 0.6693849792776728
Energy: 0.716897597216939
Energy: 0.7056331246943528
Energy: 0.6783527715321765
Energy: 0.6934324045525722
Energy: 0.7251609914169994
Energy: 0.6778233559197802
Energy: 0.667082862382387
Energy: 0.6723869428941895
Energy: 0.693696339404673
Energy: 0.7087385044715916
Energy: 0.6704543841032502
Energy: 0.6715042387669441
Energy: 0.6723993747748966
Energy: 0.8022052846620057
Energy: 0.6937763425273602
Energy: 0.6781762323980144
Energy: 0.6815757143177229
Energy: 0.7118485677714445
Energy: 0.8024889011795674
Energy: 0.694253791206381
Energy: 0.6725798995968372
Energy: 0.6718987634171961
Energy: 0.6759246803215255
Energy: 0.6856898359265731
Energy: 0.6851940542143179
Energy: 0.6768724328754514
Energy: 0.6803381803570191
Energy: 0.6820279421657478
Energy: 0.718218830752864
Energy: 0.6727311600562464
Energy: 0.6722055378304365
Energy: 0.6788703153316464
Energy: 0.7609734374897215
Energy: 0.7604162209347514
Energy: 0.6778389388555993
Energy: 0.6823005554595599
Energy: 0.6838621847049406
Energy: 0.7605111320296335
Energy: 0.7123003063824008
Energy: 0.680232237014017
Energy: 0.72636678724309
Energy: 0.7331447443688093
Energy: 0.710928501338043
Energy: 0.6896832740489461
Energy: 0.6493817091998976
Energy: 0.6721604370672303
Energy: 0.7318781231027206
Energy: 0.7513444827409343
Energy: 0.7242070498194605
Energy: 0.6706017587715568

minimum gb energy = 0.6493817091998976 eV
minimum distance =  2.61609711569481 Angstroms
sigma value = 437


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

Energy: 0.8761772328660512
Energy: 0.7017838223079369
Energy: 0.686465091957524
Energy: 0.7428002411958334
Energy: 0.6764448536505866
Energy: 0.8743828212518805
Energy: 0.6651445962068232
Energy: 0.6866326618528638
Energy: 0.7442798306615016
Energy: 0.7295181971167011
Energy: 0.6841709500887959
Energy: 0.6672840994076151
Energy: 0.7284524139781298
Energy: 0.7318844838073264
Energy: 0.6415450853461439
Energy: 0.6827192978148274
Energy: 0.6680257834319434
Energy: 0.7307839879859416
Energy: 0.7047154760272678
Energy: 0.6395125445395389
Energy: 0.6836086709501548
Energy: 0.6890561675909757
Energy: 0.70165142327546
Energy: 0.639126743037995
Energy: 0.6823999172390669
Energy: 0.6850800801068905
Energy: 0.6890604338992573
Energy: 0.7017212028692793
Energy: 0.6377144830006436
Energy: 0.6843665303212373
Energy: 0.6381174087189161
Energy: 0.6415563135468058
Energy: 0.7007317613842204
Energy: 0.6840173935424984
Energy: 0.6825871337669198
Energy: 0.638282716714612
Energy: 0.6378564844957042
Energy: 0.7002054081738254
Energy: 0.6839501324530346
Energy: 0.6841024713074133
Energy: 0.678809852332064
Energy: 0.7005887209924357
Energy: 0.6373463166883762
Energy: 0.6430742925004008
Energy: 0.645630682487575
Energy: 0.6462679705971047
Energy: 0.7002006106609918
Energy: 0.6388153292450527
Energy: 0.6432426096524676
Energy: 0.6766194921213348
Energy: 0.6467095633003204
Energy: 0.6380491814266326
Energy: 0.6269478545003654
Energy: 0.645827712859065
Energy: 0.6719348964806194
Energy: 0.6462060922888928
Energy: 0.6383255501029453
Energy: 0.6800856920169919
Energy: 0.6473723595498644
Energy: 0.8759294931602263
Energy: 0.6859539119719558
Energy: 0.6757747701320933
Energy: 0.6773724961022127
Energy: 0.6391689107315217
Energy: 0.707374783216783
Energy: 0.6861092325571037
Energy: 0.6758752904797325
Energy: 0.677081407147842
Energy: 0.6399781323542826
Energy: 0.6880129020116383
Energy: 0.6897271057494171
Energy: 0.6785777581969338
Energy: 0.6386147533670472
Energy: 0.6847201765504393
Energy: 0.7047357659565857
Energy: 0.689044626971769
Energy: 0.6786018910930235
Energy: 0.638396891848607
Energy: 0.6844795433451247
Energy: 0.7064676909768564
Energy: 0.6373490663532868
Energy: 0.701034005207533
Energy: 0.6310727856209115
Energy: 0.7018223670678704
Energy: 0.6819329800557126
Energy: 0.6357078748466426
Energy: 0.7002809492517178
Energy: 0.664375648611518
Energy: 0.7017363950590062
Energy: 0.6816538825354004
Energy: 0.6323546337957289
Energy: 0.6795600662463468
Energy: 0.6285695752975256
Energy: 0.6715595308755138
Energy: 0.7183898175678596
Energy: 0.6773419057675765
Energy: 0.6820700275993611
Energy: 0.6300219025507282
Energy: 0.6720731467924951
Energy: 0.6665412543905173
Energy: 0.6265641444132557
Energy: 0.6271388242667946
Energy: 0.631924854575905
Energy: 0.672985129558525
Energy: 0.6243039316699089
Energy: 0.6264214266038397
Energy: 0.6274874586322907
Energy: 0.6311972681250597
Energy: 0.6735348671769161
Energy: 0.637747680732482
Energy: 0.6260554566500391
Energy: 0.6276063238167653
Energy: 0.6321415613569298
Energy: 0.6938562945616943
Energy: 0.6308515287395863
Energy: 0.6275017134517303
Energy: 0.6281642365737841
Energy: 0.6329524134040708
Energy: 0.6658606302085566
Energy: 0.6301304788139837
Energy: 0.6268891653008946
Energy: 0.6276960038805482
Energy: 0.7988353639647404
Energy: 0.7009105672565354
Energy: 0.6327837773798656
Energy: 0.6268660404375028
Energy: 0.6300336716742974
Energy: 0.7999931478973971
Energy: 0.7016217739210263
Energy: 0.6303445770972782
Energy: 0.7404528870069065
Energy: 0.6328300398555983
Energy: 0.6669626541586611
Energy: 0.6845281613351155
Energy: 0.6270466730461121
Energy: 0.7397100253646243
Energy: 0.6344924703687627
Energy: 0.7153775630782142
Energy: 0.6829748296833643
Energy: 0.645323482472906

minimum gb energy = 0.6243039316699089 eV
minimum distance =  2.68477342625577 Angstroms
sigma value = 33