Model name: model_name=EAM_Dynamo_Pun_2017_Au__MO_188701096956_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.077997982501984
cohesive_energy=3.9303090816171165
mass=196.9665
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=[8.55358846123482e-20, 1.5483467034508679e-19, 2.13616608434586e-19, 2.64661955993826e-19, 3.09715162941906e-19, 3.49894548569358e-19, 3.8595313589416195e-19, 4.1843085844197597e-19, 4.47726658194666e-19, 4.7414815306596e-19, 4.97943680434128e-19, 5.19310308025152e-19, 5.384162643856019e-19, 5.5540254105927e-19, 5.703925056469739e-19, 5.83490299629924e-19, 5.947904514295259e-19, 6.043762742307479e-19, 6.12323070335388e-19, 6.18699733338708e-19, 6.235671459527999e-19, 6.26981384359854e-19, 6.28993718212158e-19, 6.29655417162e-19, 6.289344376767e-19, 6.265744314948179e-19, 6.2223413499331195e-19, 6.154969822473419e-19, 6.05858287617198e-19, 5.92691600038986e-19, 5.75227874728386e-19, 5.52509010058266e-19, 5.2333497572976e-19, 4.86193317000372e-19, 4.391614219093019e-19, 3.7977193844019e-19, 3.04833330738108e-19, 2.1016391778831596e-19, 9.022321257277859e-20, -6.242608884353219e-20, -2.57915190188052e-19, -5.102788383392939e-19, -8.393290689003118e-19, -1.273591034662842e-18, -1.85703487117038e-18, -2.6714853412979397e-18, -3.878997805044719e-18, -5.792172945470459e-18, -8.98824296027268e-18, -1.4575753862515978e-17, -2.5221464572427995e-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: 0.013475824405836305
Energy: 0.01640874000751385
Energy: 0.08062749517950776
Energy: 0.08023916097998467
Energy: 0.01582488468307205
Energy: 0.014444250563071723
Energy: 0.07946626143734
Energy: 0.08107739084994113
Energy: 0.07995720515287957
Energy: 0.015348529283611781
Energy: 0.018158703672512776
Energy: 0.0809159710916409
Energy: 0.07980676477842504
Energy: 0.0804070450828435
Energy: 0.08120639149833787
Energy: 0.07941393543874349
Energy: 0.08118359006553193
Energy: 0.07975864230012342
Energy: 0.08030547460376808
Energy: 0.0805944875298504
Energy: 0.0811980688796598
Energy: 0.015901740718458124
Energy: 0.013844502050876034
Energy: 0.07923225005009009
Energy: 0.07960306087365578
Energy: 0.08104772885009608
Energy: 0.015365797688316982
Energy: 0.013824703980549009
Energy: 0.07911094837498497
Energy: 0.08034825387564817
Energy: 0.08032043872659253
Energy: 0.01474793104517549
Energy: 0.014378747432722406
Energy: 0.0817757838623146
Energy: 0.07924612402229758
Energy: 0.08071693812646893
Energy: 0.014379351742159176
Energy: 0.013924422443878285
Energy: 0.07920183434301456
Energy: 0.07898486940913885
Energy: 0.07985818663307861
Energy: 0.07982210179910995
Energy: 0.08144279963490131
Energy: 0.01467770808581958
Energy: 0.01465625686264924
Energy: 0.07935960947760304
Energy: 0.0803155064314128
Energy: 0.08116439042439728
Energy: 0.015259085367022378
Energy: 0.07882647045428542
Energy: 0.08129433229456737
Energy: 0.07896256088770055
Energy: 0.07998223193870858
Energy: 0.014396034078876392
Energy: 0.016729526012426083
Energy: 0.08171806549875406
Energy: 0.07877931206367604
Energy: 0.08038399548443491
Energy: 0.014761678357176193
Energy: 0.017473849931781825
Energy: 0.01751186477139567
Energy: 0.08122630836385705
Energy: 0.07980730441059501
Energy: 0.08072031577316062
Energy: 0.08164676315243154
Energy: 0.017417770318475113
Energy: 0.08198937752479321
Energy: 0.07976080251493259
Energy: 0.08007336980669638
Energy: 0.0809800177508961

minimum gb energy = 0.013475824405836305 eV
minimum distance =  2.84398162630634 Angstroms
sigma value = 3


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

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Energy: 0.6416981756656724
Energy: 0.6327517442800031
Energy: 0.649598506862939
Energy: 0.6371747939677012
Energy: 0.6532529416077468
Energy: 0.623112479292388
Energy: 0.6329529057032767
Energy: 0.6475123845797441
Energy: 0.6625231571132774
Energy: 0.5200911811495487
Energy: 0.697385187272744
Energy: 0.6363612475681143
Energy: 0.5558404379958902
Energy: 0.5472280599578778
Energy: 0.5398235214596532
Energy: 0.7034150014858956
Energy: 0.6329707716681399
Energy: 0.5616059143549188
Energy: 0.5981312135015695
Energy: 0.5529903558434524
Energy: 0.7072472536846149
Energy: 0.5659542090025254
Energy: 0.6263696048800113
Energy: 0.6286724453591592
Energy: 0.5376317486374583
Energy: 0.7076350238197648
Energy: 0.5664418084019522
Energy: 0.589585381026251
Energy: 0.6253832073854847
Energy: 0.5969476596938891
Energy: 0.6471463735972428
Energy: 0.5861569820170198
Energy: 0.5487373428789264
Energy: 0.5590313211065642
Energy: 0.5401254738983038
Energy: 0.6452075125312029
Energy: 0.5677511540661841
Energy: 0.6295648570629774
Energy: 0.6253956704964938
Energy: 0.7180956093503496
Energy: 0.6496865615473864
Energy: 0.6742958233954816
Energy: 0.5670240960501395
Energy: 0.5766445797499256
Energy: 0.6943055390520755
Energy: 0.641664507324083
Energy: 0.6572830617089512
Energy: 0.7130922139979207
Energy: 0.5872844367133389
Energy: 0.6776295716136805
Energy: 0.652543684462677
Energy: 0.6823957419342109
Energy: 0.5670742498889803
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Energy: 0.6580907146148584
Energy: 0.6525109286124812
Energy: 0.6925157032732768
Energy: 0.5647073753235287
Energy: 0.711445403065078
Energy: 0.6670059051641223
Energy: 0.6470149204815766
Energy: 0.7273616139643806
Energy: 0.573642330610899
Energy: 0.6704264885367514
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Energy: 0.6409585479990139
Energy: 0.5729833730869375
Energy: 0.6733266738969037
Energy: 0.6682724149771718
Energy: 0.658209923392628
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Energy: 0.6724357290689317
Energy: 0.6647405762240349
Energy: 0.6670720927511538
Energy: 0.6553457374921657
Energy: 0.6830833686564821
Energy: 0.6735964825891766
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Energy: 0.6711544492825194
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Energy: 0.5512042116291284
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Energy: 0.6624626794045588
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Energy: 0.5760353859305202
Energy: 0.6888928468234242
Energy: 0.6558383828489003
Energy: 0.6867401621807446
Energy: 0.7457956114871563
Energy: 0.689602368475861
Energy: 0.6673497022736149
Energy: 0.6644360781844292
Energy: 0.6635510676316186
Energy: 0.7992163814130899
Energy: 0.6704016106694516
Energy: 0.6676518596384875
Energy: 0.663171184302152
Energy: 0.6538053354468437
Energy: 0.4888687829302217
Energy: 0.687941575787187
Energy: 0.6668467159825955
Energy: 0.6008168506848957
Energy: 0.536398635261849
Energy: 0.5277033014519363
Energy: 0.6869979783518614
Energy: 0.6683797652426569
Energy: 0.5929316804477535
Energy: 0.48946734901417427
Energy: 0.48982125075521493
Energy: 0.714966205706963
Energy: 0.5591766918846229
Energy: 0.5862333584463449
Energy: 0.5675942260591468
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Energy: 0.5578183293154235
Energy: 0.6184993426977782
Energy: 0.488810142059944
Energy: 0.5211514904428585
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Energy: 0.6544458243926871
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Energy: 0.6811215845888567
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Energy: 0.6376411837078779
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Energy: 0.6688724508092165
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Energy: 0.6074306464525967
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Energy: 0.6560338066768083
Energy: 0.6695238399820517
Energy: 0.6551523743883947
Energy: 0.603505896190167
Energy: 0.5994328162339122
Energy: 0.6576049288442064
Energy: 0.6686176192054674
Energy: 0.5861088609481527
Energy: 0.5332104590155186
Energy: 0.5616767421973453
Energy: 0.702804900146132
Energy: 0.6697826406164415
Energy: 0.5868268007885253
Energy: 0.5339656410038157
Energy: 0.5634389509743342
Energy: 0.6604332999726313
Energy: 0.5735596366126323
Energy: 0.5832612666366308
Energy: 0.5671876799178707
Energy: 0.6171128815933286
Energy: 0.6137285972945592
Energy: 0.6057170236343036
Energy: 0.5969328671187387
Energy: 0.5696787570932763
Energy: 0.5880962301378857
Energy: 0.5873615110585745
Energy: 0.6982216626743891
Energy: 0.5712696109007696
Energy: 0.5985799649284308
Energy: 0.6048572377573695
Energy: 0.594565748861407
Energy: 0.623955847533688
Energy: 0.576027504390503
Energy: 0.5683889040321638
Energy: 0.6123449826322724
Energy: 0.5828071871323526
Energy: 0.6952956224825348
Energy: 0.5727269820067002
Energy: 0.5722486952249329
Energy: 0.6503656154203106
Energy: 0.6291802091811851
Energy: 0.6999245738606924
Energy: 0.5451900794352963
Energy: 0.5736143607212173
Energy: 0.7291688486626128
Energy: 0.6583889409689643
Energy: 0.6582416400837937
Energy: 0.6558220016432771
Energy: 0.7038032536360895
Energy: 0.6548775449317747
Energy: 0.6455553863711512
Energy: 0.5416018623572849
Energy: 0.6248980631988846
Energy: 0.6303310819483946
Energy: 0.6548735917098188
Energy: 0.646001663132063
Energy: 0.5950590774627618
Energy: 0.5934446623036395
Energy: 0.6460736705846081
Energy: 0.65719908480873
Energy: 0.6520916849541956
Energy: 0.5384533193657712
Energy: 0.6232188134702995
Energy: 0.6495741959944298
Energy: 0.650900795700664
Energy: 0.7004277706132904
Energy: 0.702771165656934
Energy: 0.6395707303396042
Energy: 0.6335241302509849
Energy: 0.6268443865045814
Energy: 0.6356554368388248
Energy: 0.7979259333171196
Energy: 0.634319633524801
Energy: 0.6320822920380663
Energy: 0.6344625048240762
Energy: 0.6698378421511344

minimum gb energy = 0.488810142059944 eV
minimum distance =  2.58243571908788 Angstroms
sigma value = 75


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

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Energy: 0.5744160281912729
Energy: 0.6112346505149409
Energy: 0.6145124582326319
Energy: 0.58892847872332
Energy: 0.5806653579083596
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Energy: 0.6233743696183207
Energy: 0.6614613724477987
Energy: 0.5857367999730037
Energy: 0.612094657389368
Energy: 0.6315935990680974
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Energy: 0.6006722440344261
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Energy: 0.645702218991512
Energy: 0.5929097273417946
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Energy: 0.5845001128016101
Energy: 0.652758257404888
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Energy: 0.6269325789268414
Energy: 0.6209565225561231
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Energy: 0.5867110506713861
Energy: 0.7218851726510565
Energy: 0.7105442377344388
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Energy: 0.6113928037629454
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Energy: 0.597388938833735
Energy: 0.5891380234593213
Energy: 0.6103403776521344
Energy: 0.6286080214761443
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Energy: 0.662637104701684
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minimum gb energy = 0.5650160660327047 eV
minimum distance =  2.55691006488367 Angstroms
sigma value = 105


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

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Energy: 0.6294017727000906
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Energy: 0.6118924464297766
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Energy: 0.6169952169625117
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Energy: 0.6191822669058364
Energy: 0.6184214046694112
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Energy: 0.643305523339024
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Energy: 0.618001715255267
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Energy: 0.630042751157314
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Energy: 0.5968556265504793
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Energy: 0.617809951636272
Energy: 0.608657615722315
Energy: 0.6431688776901413
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Energy: 0.6526283285933793
Energy: 0.6179315804440692
Energy: 0.6165784790565987
Energy: 0.6434596142535247
Energy: 0.6167455627654499
Energy: 0.6182819154276494
Energy: 0.6438454257432518
Energy: 0.6175571216866959
Energy: 0.6308524221344675
Energy: 0.6189102894130628
Energy: 0.617326403203716
Energy: 0.5889915129265973
Energy: 0.617775978635356
Energy: 0.6180676028612863
Energy: 0.6182655545968568
Energy: 0.6300334101315228
Energy: 0.6538569272008538
Energy: 0.6221124543596801
Energy: 0.6322692724479229
Energy: 0.6091758292907109
Energy: 0.6243450182513597
Energy: 0.643200512344296
Energy: 0.6513912396831548
Energy: 0.6374113161243411
Energy: 0.6493476258696645
Energy: 0.6395697789786153
Energy: 0.6201433209934024
Energy: 0.6178497263694976
Energy: 0.6468343969232268
Energy: 0.624099437565565
Energy: 0.6376096598089511
Energy: 0.6162423927139036
Energy: 0.6165354274445787
Energy: 0.6221140422426765
Energy: 0.6549782692451787
Energy: 0.6260813531295079
Energy: 0.623461979780533
Energy: 0.6103654872585385
Energy: 0.6648151886089945
Energy: 0.6544647806489453
Energy: 0.5943530109606563
Energy: 0.6208823725703017
Energy: 0.6162390728099258
Energy: 0.669119746476416
Energy: 0.6362878827355927
Energy: 0.6026113162781558
Energy: 0.6338674182228222
Energy: 0.6373969262505856
Energy: 0.6754193334761366
Energy: 0.5950901776891163
Energy: 0.6186126921951934
Energy: 0.6429795537802303
Energy: 0.6410901107647797
Energy: 0.673034067391841
Energy: 0.6170580615481146
Energy: 0.6460505646183293
Energy: 0.5929597919641866
Energy: 0.5944411431715105
Energy: 0.6098325637020097
Energy: 0.6024209454545664
Energy: 0.646372972160314
Energy: 0.6021812408684699
Energy: 0.5996306217999627
Energy: 0.6158487329775635
Energy: 0.645618628296301
Energy: 0.588628650621929
Energy: 0.6215734623893377
Energy: 0.6222297646477045
Energy: 0.5920291661699688
Energy: 0.5974195594070055
Energy: 0.5910530097060058
Energy: 0.614629090776756
Energy: 0.6133492137148493
Energy: 0.6150981202971557

minimum gb energy = 0.577254790127682 eV
minimum distance =  2.60134180857548 Angstroms
sigma value = 165


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

Energy: 0.7621316199937261
Energy: 0.5544388127025477
Energy: 0.5601564446170924
Energy: 0.5848240085918567
Energy: 0.554133169230238
Energy: 0.7612622502032016
Energy: 0.5686629483597463
Energy: 0.5599699971332526
Energy: 0.5846419174553245
Energy: 0.5542745496402082
Energy: 0.5565908774585755
Energy: 0.5853682298594907
Energy: 0.5853296182185576
Energy: 0.5760883704614551
Energy: 0.5808428214432076
Energy: 0.5875792110642161
Energy: 0.5851857024238273
Energy: 0.5872069011877635
Energy: 0.5769800200976051
Energy: 0.6020545952907882
Energy: 0.5764786556531823
Energy: 0.5852030335278428
Energy: 0.5610389491858492
Energy: 0.5819540121033061
Energy: 0.6092748150510534
Energy: 0.5769650600545565
Energy: 0.5777031605630897
Energy: 0.5803178834742398
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Energy: 0.6001382061976681
Energy: 0.5886759039866784
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Energy: 0.5764483977515393
Energy: 0.5799158764010104
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Energy: 0.5827947951172048
Energy: 0.5796751177449635
Energy: 0.599153272367976
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Energy: 0.5764177752870633
Energy: 0.5764601206469261
Energy: 0.5781084606647933
Energy: 0.5830456670056741
Energy: 0.5860322785225341
Energy: 0.5759732573486269
Energy: 0.5776565820974798
Energy: 0.578198332290007
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Energy: 0.5692662389378134
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Energy: 0.554296113028466
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Energy: 0.6044575956810165
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Energy: 0.5771432010381425
Energy: 0.5562964193637425
Energy: 0.5819439235527097
Energy: 0.5876210438086499
Energy: 0.5663594782206434
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Energy: 0.5762292856569146
Energy: 0.581830930758361
Energy: 0.5867722088291089
Energy: 0.5805962789439986
Energy: 0.5768779214419957
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Energy: 0.6006928843203763
Energy: 0.5846476026582774
Energy: 0.5863618654336057
Energy: 0.5784031081373142
Energy: 0.5854845362739213
Energy: 0.5998705215699733
Energy: 0.5841223940836721
Energy: 0.5843690309043534
Energy: 0.5792661224086095
Energy: 0.5870201870349882
Energy: 0.5967665814848759
Energy: 0.5819768362837452
Energy: 0.576895808110086
Energy: 0.5789475972659031
Energy: 0.6056478195791684
Energy: 0.5803865784592179
Energy: 0.5815295553151012
Energy: 0.5846351524799515
Energy: 0.5964663917300499
Energy: 0.5964538934597533
Energy: 0.5820995601162029
Energy: 0.5816611893875357
Energy: 0.5829824098554228
Energy: 0.5779208226160985
Energy: 0.5772750710740603
Energy: 0.5810745492667235
Energy: 0.5812865222847167
Energy: 0.5820925653021223
Energy: 0.5778795239485337
Energy: 0.5865204895398219
Energy: 0.5849213481538657
Energy: 0.5833708911591401
Energy: 0.5760918862615367
Energy: 0.5823656676380278
Energy: 0.5689975694520851
Energy: 0.5745079972375524
Energy: 0.5773146640527773
Energy: 0.5764034174284934
Energy: 0.5822969477637141
Energy: 0.5700404560289516
Energy: 0.577030116793106
Energy: 0.5842623612713791
Energy: 0.5851145345567716
Energy: 0.5560338542058936
Energy: 0.5757184176704963
Energy: 0.5815385804944012
Energy: 0.5822608615609326
Energy: 0.5834443817268542
Energy: 0.5551723567351328
Energy: 0.5756558374542567
Energy: 0.558382947760802
Energy: 0.5786532790927759
Energy: 0.5851462043326798
Energy: 0.5612818097466358
Energy: 0.5862283491988856
Energy: 0.596819553498822
Energy: 0.5776729328892116
Energy: 0.5859849585671013
Energy: 0.5616507080329363
Energy: 0.5861484751114725

minimum gb energy = 0.554133169230238 eV
minimum distance =  2.64380652346232 Angstroms
sigma value = 41


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

Energy: 1.1272493520365072
Energy: 0.5263389685464276
Energy: 0.5335351470830269
Energy: 0.5318518126695783
Energy: 0.5139455640280736
Energy: 0.5216807280895729
Energy: 0.5348638510219614
Energy: 0.5415012296780811
Energy: 0.5290795177341291
Energy: 0.5191651370288138
Energy: 0.559067743430081
Energy: 0.5312838049568139
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Energy: 0.5457209066325454
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Energy: 0.5277434182700943
Energy: 0.5351645711363947
Energy: 0.5557276103553176
Energy: 0.5208794512273586
Energy: 0.5401383532143483
Energy: 0.5469358484429585
Energy: 0.5490012178727568
Energy: 0.5452659232565495
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Energy: 0.5426749088999484
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Energy: 0.5245264675683059
Energy: 0.5322087944223698
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Energy: 0.5529966160447951
Energy: 0.5233716101698613
Energy: 0.550440737509216
Energy: 0.6225759202293947
Energy: 0.5451845567633917
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Energy: 0.5362209307641637
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Energy: 0.5461024788413688
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Energy: 0.5421445735071025
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Energy: 0.5235613232096696
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Energy: 0.5301598119996589
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Energy: 0.5351545880370931
Energy: 0.5363339771612341
Energy: 0.5429306826226161
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Energy: 0.5213944756267639
Energy: 0.5455754068463051
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Energy: 0.5293897343851128
Energy: 0.5514360859334253
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Energy: 0.5358576213123335
Energy: 0.535044022757256
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Energy: 0.5357987875185939
Energy: 0.5313593389681681
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Energy: 0.5312621163088891
Energy: 0.5334565396060051
Energy: 0.540954943459692
Energy: 0.5384131287599085
Energy: 0.5306312013582192
Energy: 0.533730324509727
Energy: 0.5419043923511333
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Energy: 0.5301215718404614
Energy: 0.5362815429133188
Energy: 0.639170803836599
Energy: 0.5344044564570423
Energy: 0.5331419162588522
Energy: 0.5406850497114787
Energy: 0.5414348507823469
Energy: 0.6394624159586413
Energy: 0.5313530355542754
Energy: 0.559543205345711
Energy: 0.5155100503975802
Energy: 0.5239156863812501
Energy: 0.5235377787023807
Energy: 0.5304905870980093
Energy: 0.5274886089898833
Energy: 0.5294375614624127
Energy: 0.5247384429820541
Energy: 0.5252412648859953
Energy: 0.513283683425793
Energy: 0.5675535957599454
Energy: 0.5297530375581265
Energy: 0.5231082797642804
Energy: 0.5432303567796263
Energy: 0.5129708261516578
Energy: 0.5440057919289001
Energy: 0.5399733082202068
Energy: 0.5304144644394322
Energy: 0.5388464609633179
Energy: 0.5397394576814764
Energy: 0.5703002702534559
Energy: 0.5331953766995448
Energy: 0.5444525510333186
Energy: 0.5211136159348213
Energy: 0.5287583704163581
Energy: 0.5355256503903718
Energy: 0.5317206308278692
Energy: 0.5389198167590281
Energy: 0.5256517708080451
Energy: 0.5415745753797004
Energy: 0.5302851258868418
Energy: 0.5836727571574813
Energy: 0.5858472965825339
Energy: 0.5226903095271268
Energy: 0.5868295881830823
Energy: 0.5168452977472829
Energy: 0.5768429087972703
Energy: 0.524142856602234
Energy: 0.5234230629256376

minimum gb energy = 0.5129708261516578 eV
minimum distance =  2.64469950549489 Angstroms
sigma value = 185


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

Energy: 0.4627306838953799
Energy: 0.4154100506833402
Energy: 0.39698915428613474
Energy: 0.3689053277530015
Energy: 0.3123392644905414
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Energy: 0.36971369481712746
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Energy: 0.4047715959353373
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Energy: 0.30677539553960576
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Energy: 0.30626840478241596
Energy: 0.40418799200554056
Energy: 0.3814141020173998
Energy: 0.37684977741446896
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Energy: 0.35917501474741365
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Energy: 0.30444094424416035
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Energy: 0.34698955185205155
Energy: 0.3246996545689607
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Energy: 0.349740521992434
Energy: 0.34234878944995495
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Energy: 0.3220887416704064
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Energy: 0.3209378508557789
Energy: 0.36253737237187794
Energy: 0.2592418606553816
Energy: 0.26729192336279134
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Energy: 0.35709242582529965
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Energy: 0.31686999262290805
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Energy: 0.3484703850571539
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Energy: 0.3371459250303721
Energy: 0.36037529593646256
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Energy: 0.34173822717258173
Energy: 0.2828046443791238
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Energy: 0.3619043757796613
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Energy: 0.3134726216863386
Energy: 0.31065804760476745
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Energy: 0.41038319151249336
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Energy: 0.395290044481007
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Energy: 0.3495944402414055
Energy: 0.3031268542547968
Energy: 0.32087144834106995
Energy: 0.3761449507556933
Energy: 0.36114099234944363
Energy: 0.3402141129478486
Energy: 0.2933083190704009
Energy: 0.3380962764592989
Energy: 0.3364188108151543
Energy: 0.318586247943109
Energy: 0.28757253745859784
Energy: 0.29382536941290566
Energy: 0.3167523849448287
Energy: 0.32529287654096306
Energy: 0.31880462509168955
Energy: 0.311546562360331
Energy: 0.3145196312022914
Energy: 0.33732783982626985
Energy: 0.4108048794981208
Energy: 0.3125624417008053
Energy: 0.31197749420182425
Energy: 0.31042773514178224
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Energy: 0.3182540015557755
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Energy: 0.32808536298824836
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Energy: 0.33684274598273956
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Energy: 0.3209662898773768
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Energy: 0.33594805028632796
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Energy: 0.3402205909719711
Energy: 0.2669033455954761
Energy: 0.28373158757949846
Energy: 0.3151544690279323
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Energy: 0.3765761027896745
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Energy: 0.36091754572808493
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Energy: 0.31566263355854945
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Energy: 0.35740063279948525
Energy: 0.3326585603548001
Energy: 0.2588229314729979
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Energy: 0.38270099819573344
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Energy: 0.3189518031764542
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Energy: 0.35867238107726873
Energy: 0.39251975656728777
Energy: 0.33695309930232575
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Energy: 0.24951589958948048
Energy: 0.36571156947637384
Energy: 0.3621867088740473
Energy: 0.33796685850679936
Energy: 0.30524503157031446
Energy: 0.31618138966825365
Energy: 0.38129989027264494
Energy: 0.39132311626843574
Energy: 0.36378754538595665
Energy: 0.3204156135760664
Energy: 0.37658967164314444
Energy: 0.366980331001062
Energy: 0.3470039857917064
Energy: 0.3178125897558101
Energy: 0.31295687941042555
Energy: 0.3429201880059669
Energy: 0.32600727332263807
Energy: 0.38118072946762577
Energy: 0.3288387570585711
Energy: 0.33660158647671146
Energy: 0.3473816246437381
Energy: 0.4271490099067611
Energy: 0.390158102795682
Energy: 0.34004039989914253
Energy: 0.3390802246483011
Energy: 0.3481602152185284
Energy: 0.36374664548337854
Energy: 0.37666798041139254
Energy: 0.3741839834015291
Energy: 0.34668986267566404
Energy: 0.36387532616136925
Energy: 0.3707533570736676
Energy: 0.3614161388700105
Energy: 0.3057182964016319
Energy: 0.31420505834541046
Energy: 0.3216574167396602
Energy: 0.39373797646938874
Energy: 0.3588834076818145
Energy: 0.41876847257940036
Energy: 0.3722221324392329
Energy: 0.3779610156592158
Energy: 0.3141889324408733
Energy: 0.30441974018722795
Energy: 0.31677868063675607
Energy: 0.34944708723400075
Energy: 0.36267676311334596
Energy: 0.35771574439485065
Energy: 0.41577091262300997

minimum gb energy = 0.24951589958948048 eV
minimum distance =  2.66767585695128 Angstroms
sigma value = 33


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

Energy: 0.507350344176422
Energy: 0.4980193982759431
Energy: 0.5030915393429692
Energy: 0.4810331666023699
Energy: 0.4604248037701655
Energy: 0.45827760486006786
Energy: 0.4660043424005876
Energy: 0.48113001354420815
Energy: 0.5051626679280925
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Energy: 0.48644694345555517
Energy: 0.48611624844668627
Energy: 0.48564280283708067
Energy: 0.4845821218480542
Energy: 0.4984232552509363
Energy: 0.46579527243427377
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Energy: 0.5106175063040442
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Energy: 0.5345025686878826
Energy: 0.4974052213226553
Energy: 0.5275592989920357
Energy: 0.47422523666909727
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Energy: 0.49721492645709736
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Energy: 0.4662933587338774
Energy: 0.4863523026082967
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Energy: 0.4736946151279073
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Energy: 0.4789167878555011
Energy: 0.47895492271206314
Energy: 0.47487396026847656
Energy: 0.4958509989014793
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Energy: 0.49090529650268805
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Energy: 0.4742551732122026
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Energy: 0.5008478878637016
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Energy: 0.5012958390805443
Energy: 0.4871827271154717
Energy: 0.47606127170327983
Energy: 0.47437539048339283
Energy: 0.47536360821434576
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Energy: 0.4868669863815017
Energy: 0.46122671106914465
Energy: 0.5136150034293034
Energy: 0.5490500431068888
Energy: 0.4904210406847063
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Energy: 0.48227570946386056
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Energy: 0.48235694018379766
Energy: 0.49051996308573603
Energy: 0.5113692821206206
Energy: 0.48188614031533106
Energy: 0.4807644532628516
Energy: 0.48134027854624506
Energy: 0.49340069536145253
Energy: 0.4769212167639252
Energy: 0.5001242282814846
Energy: 0.482481148111684
Energy: 0.4656808777310847
Energy: 0.46684528788485646
Energy: 0.4790649465168798
Energy: 0.526013165885402
Energy: 0.4671563652457915
Energy: 0.48059594545574774
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Energy: 0.4555414239258651
Energy: 0.4661347630264519
Energy: 0.4806550688795508
Energy: 0.51939879291876
Energy: 0.4768786719021801

minimum gb energy = 0.4555414239258651 eV
minimum distance =  2.62935602651341 Angstroms
sigma value = 219


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

Energy: 0.9002229544642909
Energy: 0.588515149308392
Energy: 0.601452045837867
Energy: 0.6015315084882525
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Energy: 0.5950202985208315
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Energy: 0.6093254327273884
Energy: 0.6199723087594166
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Energy: 0.5882627591123795
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Energy: 0.5958244163724247
Energy: 0.5975205044396779
Energy: 0.597116090526976
Energy: 0.5880238237930729
Energy: 0.6040076433127943
Energy: 0.5941603697721312
Energy: 0.598602014056233
Energy: 0.5969198379778998
Energy: 0.5957516204124753
Energy: 0.626228367473534
Energy: 0.6052068847011081
Energy: 0.5959599271838981
Energy: 0.6036912635920207
Energy: 0.5964990719286856
Energy: 0.6242387571921922
Energy: 0.603778798808022
Energy: 0.5976956051812534
Energy: 0.5884256670515783
Energy: 0.6036825893652489
Energy: 0.5986383310076397
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Energy: 0.5960102642925366
Energy: 0.5888834203899295
Energy: 0.6060422322168404
Energy: 0.5984924308715567
Energy: 0.599192761932314
Energy: 0.5957776985602659

minimum gb energy = 0.5880238237930729 eV
minimum distance =  2.6483943395724 Angstroms
sigma value = 15


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

Energy: 1.0601623977642753
Energy: 0.679819797459507
Energy: 0.6930665255350025
Energy: 0.7060576210496974
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Energy: 0.6998606812033941
Energy: 0.7062012422162284
Energy: 0.6987187050246847
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Energy: 0.7006150895193222
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Energy: 0.6827392980696635
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Energy: 0.6931451401143879
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Energy: 0.6842731393837064
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Energy: 0.691772246149792
Energy: 0.6964211557138876
Energy: 0.7011509250701251
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Energy: 0.6957536075170389
Energy: 0.6809242791220737
Energy: 0.6874636329089265
Energy: 0.7038498833155772
Energy: 0.7063030567253865
Energy: 0.6969439605207026
Energy: 0.6798183785788707
Energy: 0.6947933409694329
Energy: 0.6827947567339869
Energy: 0.7027784911394626
Energy: 0.6848608152344601
Energy: 0.7010256359926569
Energy: 0.7305323301605393
Energy: 0.7194417754049499
Energy: 0.7033045522491198
Energy: 0.6831753596409987
Energy: 0.6932692944122703
Energy: 0.7470611587792072
Energy: 0.6944120437311215
Energy: 0.6828597213515908
Energy: 0.6761379117510845
Energy: 0.710207525711168
Energy: 0.700051455467644
Energy: 0.6982393317622649
Energy: 0.6813406981776181
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minimum gb energy = 0.6729162822550375 eV
minimum distance =  2.61103828880441 Angstroms
sigma value = 293


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

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Energy: 0.6883129044768047
Energy: 0.6831981650135226
Energy: 0.6902820908332442
Energy: 0.673706976693855
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Energy: 0.6867113071075283
Energy: 0.6839593954448275
Energy: 0.689833111894945
Energy: 0.8408782985637548
Energy: 0.6783548340228354
Energy: 0.682755030197055
Energy: 0.6717653560717075
Energy: 0.6743913166378226
Energy: 0.6555897208503803
Energy: 0.6799644696562235
Energy: 0.6837717676731602
Energy: 0.6728012161951238
Energy: 0.6742847141428607
Energy: 0.6723727761687802
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Energy: 0.6739839341407093
Energy: 0.6826761614736012
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Energy: 0.6736771723107753
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Energy: 0.6721850006187661
Energy: 0.6774709820017017
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Energy: 0.6727827202228346
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Energy: 0.6856468936850458
Energy: 0.6697374568611646
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Energy: 0.6856681227181817
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Energy: 0.6710809888123074
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Energy: 0.6906144782863737
Energy: 0.6781105027504557
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Energy: 0.6851643943777516
Energy: 0.6706725008630684
Energy: 0.6687506451469686
Energy: 0.6792288414403267
Energy: 0.6711057625132593
Energy: 0.6860832389401149
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Energy: 0.6907661599746072
Energy: 0.6919830507926484
Energy: 0.6920323002259154
Energy: 0.6922933661851524
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Energy: 0.6902503819020395
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Energy: 0.708733234568663
Energy: 0.778039280763826
Energy: 0.6845251627979879
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Energy: 0.6713395672064905
Energy: 0.7163561253750348
Energy: 0.6858620463584213
Energy: 0.6784174842763627
Energy: 0.6964332733371387
Energy: 0.6709553118334468
Energy: 0.6872909425669586
Energy: 0.6848530448752252
Energy: 0.6934336810025521
Energy: 0.6577171485107323
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Energy: 0.6719901179392398
Energy: 0.6814970149417036
Energy: 0.6558988844858087
Energy: 0.6585409036191782
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Energy: 0.6820625125796901
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Energy: 0.6790677570607816
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Energy: 0.6829832256934051
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Energy: 0.7021118200025214
Energy: 0.6801559513205958
Energy: 0.6796715813385092
Energy: 0.6832195250252007
Energy: 0.6765557515333768
Energy: 0.6576393231682569
Energy: 0.6867478412978758
Energy: 0.6817815083523627
Energy: 0.6713950687810745
Energy: 0.669333500394786
Energy: 0.6768578241859564
Energy: 0.6734147818700232
Energy: 0.6907514307446976
Energy: 0.6690293804495657
Energy: 0.845110466529152
Energy: 0.7079163270335307
Energy: 0.6703688915546582
Energy: 0.6706242417048137
Energy: 0.6848915195445965
Energy: 0.707599245936502
Energy: 0.7073235210484076
Energy: 0.671584237754291
Energy: 0.6706851312042751
Energy: 0.6912883618210746
Energy: 0.660645007298003
Energy: 0.6842849248071001
Energy: 0.679232271417263
Energy: 0.6748589432730316
Energy: 0.6900987882862262
Energy: 0.6806851474852608
Energy: 0.6836970174226124
Energy: 0.6807605043586172
Energy: 0.672454127361991
Energy: 0.6896388960681125
Energy: 0.6977165369197834
Energy: 0.6726161569036946
Energy: 0.6932928498614975
Energy: 0.6792451699025631
Energy: 0.6697318222500971
Energy: 0.6712066434660955
Energy: 0.6723099524721591
Energy: 0.6918244169679036
Energy: 0.6779528415557559
Energy: 0.6908269231981795
Energy: 0.6700577773506465
Energy: 0.6884491430093259
Energy: 0.6992708370095851
Energy: 0.7228049495899417
Energy: 0.688591971154831
Energy: 0.6902151251680856
Energy: 0.7023356053230042
Energy: 0.7010809163512347
Energy: 0.7226062254182879
Energy: 0.6732478908379596
Energy: 0.6894203735690199
Energy: 0.6729636644752729
Energy: 0.7107802129042557
Energy: 0.7275221583220474
Energy: 0.6709127763107663
Energy: 0.7128184699674184
Energy: 0.6728199082083266
Energy: 0.6839944709670832
Energy: 0.726170607173025
Energy: 0.6707393694710406
Energy: 0.6774721353679077
Energy: 0.656908930894215
Energy: 0.6847851639119109
Energy: 0.6736341400736907
Energy: 0.6815497876281734
Energy: 0.6905663581650691
Energy: 0.6731219492988085
Energy: 0.6834160638851884
Energy: 0.675785484669677
Energy: 0.6811140278338835
Energy: 0.6866921753908588

minimum gb energy = 0.6553431546763824 eV
minimum distance =  2.60164043271011 Angstroms
sigma value = 293


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

Energy: 0.6547331501519658
Energy: 0.6568962862332024
Energy: 0.7193658729074662
Energy: 0.6739762745916932
Energy: 0.6567897899286789
Energy: 0.6546357584653618
Energy: 0.6738440500062118
Energy: 0.7163767563159606
Energy: 0.6736493957656645
Energy: 0.6563584101640485
Energy: 0.6565123768438764
Energy: 0.6684107406569261
Energy: 0.6668417340524211
Energy: 0.6790774696347451
Energy: 0.6754655625019436
Energy: 0.7042407930666557
Energy: 0.668747570517048
Energy: 0.6638855153962007
Energy: 0.6686438956266125
Energy: 0.6748115802973793
Energy: 0.6721292421387852
Energy: 0.670268693024881
Energy: 0.6696601147919906
Energy: 0.6794201233885047
Energy: 0.7074284696735356
Energy: 0.678950391688714
Energy: 0.6677326134201735
Energy: 0.6695466841389431
Energy: 0.7163545762103921
Energy: 0.7077739781214191
Energy: 0.7181843898759095
Energy: 0.6562887474131138
Energy: 0.6555104910481345
Energy: 0.6773332082954956
Energy: 0.6731241515520452
Energy: 0.718195164180982
Energy: 0.6558667129304538
Energy: 0.6560065077090215
Energy: 0.6783259216522359
Energy: 0.6558153421743924
Energy: 0.6700810174248838
Energy: 0.6587696101395007
Energy: 0.6564072048299576
Energy: 0.7131829393128268
Energy: 0.6736820279835354
Energy: 0.66904833369836
Energy: 0.65918343336002
Energy: 0.6560706495720209
Energy: 0.6749937599721867
Energy: 0.6746845986944199
Energy: 0.6703198053822906
Energy: 0.7181406726794837
Energy: 0.6741105025842878
Energy: 0.6681430764402938
Energy: 0.6629899802612426
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Energy: 0.7151448085676946
Energy: 0.6726043222684154
Energy: 0.6707564213585354
Energy: 0.6626103829301252
Energy: 0.6775165305221631
Energy: 0.6532460242679152
Energy: 0.6778809094175295
Energy: 0.668055507524467
Energy: 0.6753172985809179
Energy: 0.6741645879370417
Energy: 0.6523224481418736
Energy: 0.6772091047002571
Energy: 0.6683312157840373
Energy: 0.6694987181049379
Energy: 0.679890762717625
Energy: 0.7028365829750823
Energy: 0.6737587403646605
Energy: 0.6564403000354131
Energy: 0.6606921027931951
Energy: 0.6915208138067732
Energy: 0.7070436924315204
Energy: 0.6734636900295446
Energy: 0.6573315985227505
Energy: 0.6561962958563187
Energy: 0.6689771565670528
Energy: 0.6643547003459793
Energy: 0.6792716811637587
Energy: 0.6554390936448511
Energy: 0.7090953836577808
Energy: 0.6683420818923367
Energy: 0.6764925935218576
Energy: 0.6765452057307916
Energy: 0.6555448179154792
Energy: 0.7213012034531641
Energy: 0.6703477567890624
Energy: 0.6700706913879396
Energy: 0.7077970507275618
Energy: 0.7188122743119835
Energy: 0.6781806764673252
Energy: 0.687967062904965
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Energy: 0.7094945751026958
Energy: 0.6913503483120207
Energy: 0.6714063349447243
Energy: 0.6563238067200922
Energy: 0.6761772843430385
Energy: 0.6717405183151315
Energy: 0.6769602054147896
Energy: 0.7162631367454314
Energy: 0.6569164336776381
Energy: 0.6767803520701976
Energy: 0.6590474855711618
Energy: 0.7179696244586442
Energy: 0.7121771082503047
Energy: 0.6547730562293791
Energy: 0.6730975347832392
Energy: 0.7173358112064807
Energy: 0.6755768783582758
Energy: 0.6566443868231419
Energy: 0.6550690414882109
Energy: 0.6739736188762878
Energy: 0.7163399392386731
Energy: 0.6754214712739279
Energy: 0.6565375788135932
Energy: 0.7086145904747251
Energy: 0.6682982899284003
Energy: 0.6666518972715346
Energy: 0.6782695375300534
Energy: 0.677894333017881
Energy: 0.7046068493180327
Energy: 0.668265973893583
Energy: 0.6639821516871147
Energy: 0.6698630461125978
Energy: 0.690194984793179
Energy: 0.67031820621412
Energy: 0.6705389850942028
Energy: 0.6699657066423867
Energy: 0.7169126050676321
Energy: 0.7077587291017038
Energy: 0.6782012986107107
Energy: 0.6681098226689797
Energy: 0.6688496055004569
Energy: 0.7164774098014769
Energy: 0.7071416658841183
Energy: 0.7178210773089316
Energy: 0.6558745206459077
Energy: 0.655745409017259
Energy: 0.6774091667501826
Energy: 0.6761841989741425
Energy: 0.7172818458291748
Energy: 0.6557651596833681
Energy: 0.656073214457942
Energy: 0.6766870205532741
Energy: 0.708210703661518
Energy: 0.6702189687890294
Energy: 0.6596039136404396
Energy: 0.6563524911122627
Energy: 0.7104904947741729
Energy: 0.6740132481023949
Energy: 0.6684082704380202
Energy: 0.6579836665691777
Energy: 0.6561203787623717
Energy: 0.6709215377595371
Energy: 0.6747299568847326
Energy: 0.6704032032149794
Energy: 0.7170551073207134
Energy: 0.6746946961431421
Energy: 0.6676846850164211
Energy: 0.6631189142852515
Energy: 0.6694365366582012
Energy: 0.7150765439812029
Energy: 0.6744097252480731
Energy: 0.6680369127301415
Energy: 0.6626823591512988
Energy: 0.7176317580731509
Energy: 0.6528987852780802
Energy: 0.678358121560174
Energy: 0.6685559837949162
Energy: 0.6770240480295149
Energy: 0.7199353512188541
Energy: 0.6519271071516696
Energy: 0.677698831319919
Energy: 0.6681071313544374
Energy: 0.674228302854658
Energy: 0.692512500897204
Energy: 0.7031847818348553
Energy: 0.6736249763262093
Energy: 0.6569491675401713
Energy: 0.660246793863061
Energy: 0.6905596917248179
Energy: 0.7068830556526374
Energy: 0.6732038904469827
Energy: 0.6600469908581951
Energy: 0.6563179020315937
Energy: 0.6690378865255033
Energy: 0.6644712751092635
Energy: 0.6897667359330569
Energy: 0.6556543130365629
Energy: 0.7115804184248842
Energy: 0.6686377131791585
Energy: 0.676432210622362
Energy: 0.6769556986555517
Energy: 0.6555069648905874
Energy: 0.6725855879628827
Energy: 0.6705924190664292
Energy: 0.66958825593637
Energy: 0.7080184692264854
Energy: 0.7014887527071682
Energy: 0.6772640507844031
Energy: 0.6720436140956245
Energy: 0.6714755705197634
Energy: 0.7123414383797483
Energy: 0.6909669529940473
Energy: 0.6716027006033104
Energy: 0.6558696547454859
Energy: 0.6762062530478172
Energy: 0.6715930697875612
Energy: 0.6728880922338791
Energy: 0.7091207435319595
Energy: 0.6565193191434963
Energy: 0.6768041355121337
Energy: 0.65789725769565
Energy: 0.6735919185004109
Energy: 0.7088277503507496

minimum gb energy = 0.6519271071516696 eV
minimum distance =  2.63157590864774 Angstroms
sigma value = 15


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

Energy: 1.171070963859241
Energy: 0.6924771078569782
Energy: 0.7029753807441579
Energy: 0.6656625437768058
Energy: 0.6720642140211998
Energy: 0.6653396456678148
Energy: 0.708696037816722
Energy: 0.7076215567383941
Energy: 0.6653459965787422
Energy: 0.6961532010039845
Energy: 0.6468573703090355
Energy: 0.7110983154364304
Energy: 0.6854844282224077
Energy: 0.6871239418114045
Energy: 0.7226583047691767
Energy: 0.65008188971819
Energy: 0.7101728940827966
Energy: 0.6852360709282606
Energy: 0.7090770575248798
Energy: 0.6622161779717155
Energy: 0.7526270728838171
Energy: 0.6863473848272617
Energy: 0.7080517898070436
Energy: 0.7053525470769598
Energy: 0.7589890364726001
Energy: 0.7607899967224228
Energy: 0.695980489277529
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Energy: 0.6988980975779345
Energy: 0.7504379674287728
Energy: 0.6994731772930535
Energy: 0.6610595716081953
Energy: 0.7119886386233549
Energy: 0.7592430859491998
Energy: 0.7546839909052165
Energy: 0.7059895147522509
Energy: 0.6706549247915761
Energy: 0.7121581445981789
Energy: 0.7561287326572232
Energy: 0.7511680134160709
Energy: 0.7620848440768874
Energy: 0.7132456603414855
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Energy: 0.7304071034968568
Energy: 0.7323036549946188
Energy: 0.6634180457383123
Energy: 0.6641515096382101
Energy: 0.7550646368766242
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Energy: 0.708574421518112
Energy: 0.663514532623985
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Energy: 0.7584962298401591
Energy: 0.7978764217623598
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Energy: 0.6767243128878789
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Energy: 0.6656046028044612
Energy: 0.6627379233969816
Energy: 0.6779965000947905
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Energy: 0.7228721033498238
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Energy: 0.6672882236128002
Energy: 0.6671739732139348
Energy: 0.7053956653063206
Energy: 0.7271786899687631
Energy: 0.666301922151639
Energy: 0.6637193792101463
Energy: 0.6670787140877927
Energy: 0.7062077349537648
Energy: 0.7170340835568425
Energy: 0.666016738994591
Energy: 0.8021586275967542
Energy: 0.7180489934288891
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Energy: 0.6710108943394745
Energy: 0.6655375297878996
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Energy: 0.7202170699696936
Energy: 0.7425744687420078
Energy: 0.669455647094551
Energy: 0.666361116489817
Energy: 0.6667649549944686
Energy: 0.6731617851664098
Energy: 0.6730516699917208
Energy: 0.6748990309391587
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Energy: 0.6643701422232571
Energy: 0.6730015931620779
Energy: 0.6775081824938555
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Energy: 0.7039322309594215
Energy: 0.6985878706742596
Energy: 0.6742067923253887
Energy: 0.6743329203680345
Energy: 0.6737228508167904
Energy: 0.7164976773227137
Energy: 0.6966058277290565
Energy: 0.6738630306980534
Energy: 0.6752363273743132
Energy: 0.6739849296425156
Energy: 0.7705388263898345
Energy: 0.718508782906135
Energy: 0.671326568521122
Energy: 0.6507649766317543
Energy: 0.724009515861644
Energy: 0.7631465685180604
Energy: 0.7196834461438537
Energy: 0.6760768227608831
Energy: 0.6521763096604137
Energy: 0.7162349366735747
Energy: 0.735806732337767
Energy: 0.7081299751103489
Energy: 0.7223369753710341
Energy: 0.6650372749334094
Energy: 0.7129260044389822
Energy: 0.73673312239978
Energy: 0.6666663172661063
Energy: 0.7225422475314839
Energy: 0.666346675622922
Energy: 0.784897332465578
Energy: 0.6900759549564264
Energy: 0.7184925377765531
Energy: 0.7323803189196466
Energy: 0.7241135342164721
Energy: 0.6957829319106072
Energy: 0.6894184645375747
Energy: 0.7185253872237295
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Energy: 0.727203113058354
Energy: 0.6938582224257578
Energy: 0.6657737280359731
Energy: 0.708363730080121
Energy: 0.7583606922440933
Energy: 0.686626898530581
Energy: 0.7154013379500841
Energy: 0.6668680354228596
Energy: 0.7103546709573653
Energy: 0.7575713042344006
Energy: 0.6858948281305344
Energy: 0.711875953560395
Energy: 0.7318170071544715
Energy: 0.7559071360711718
Energy: 0.7154497322377991
Energy: 0.7116982651178418
Energy: 0.6807715143991555
Energy: 0.7149180578791462
Energy: 0.7561019333468114
Energy: 0.7154194838732334
Energy: 0.7137524776051629
Energy: 0.652750969218727
Energy: 0.6562189271691927
Energy: 0.7147872524433863
Energy: 0.7763087519927403
Energy: 0.7345095151190648
Energy: 0.730431675692357
Energy: 0.699354942895137
Energy: 0.732648203122514
Energy: 0.7892987656622855
Energy: 0.6670361633986674
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Energy: 0.6676369228416316
Energy: 0.8024684790218377
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Energy: 0.6820117426802242
Energy: 0.669220976663433
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Energy: 0.803476449540035
Energy: 0.7765574182241323
Energy: 0.6677838289795165
Energy: 0.663190517483492
Energy: 0.6641119143077318
Energy: 0.7358723144535348
Energy: 0.6815491627838364
Energy: 0.6652269083718234
Energy: 0.6659325109159879
Energy: 0.6660409591732738
Energy: 0.7746516898301279
Energy: 0.666176145986045
Energy: 0.6690786278784621
Energy: 0.6681143518776123
Energy: 0.650757079339064
Energy: 0.7284724618733734
Energy: 0.7012189406304562
Energy: 0.6641987510810484
Energy: 0.6629935475689078
Energy: 0.6623046090127138
Energy: 0.727882454087198
Energy: 0.7044236826992122
Energy: 0.6626847909562822
Energy: 0.6628176306303428
Energy: 0.7017384232421847
Energy: 0.6626940400306974
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Energy: 0.6741524753741314
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Energy: 0.6639035439920007
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Energy: 0.6857893355410607
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Energy: 0.6819314741574026
Energy: 0.6744917159738872
Energy: 0.6750105744563248
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Energy: 0.7298742394182867
Energy: 0.69178385164157
Energy: 0.6779617729392744
Energy: 0.6747822336324186
Energy: 0.7057163075514056
Energy: 0.6985713917987163
Energy: 0.6738693543484382
Energy: 0.6727463816139888
Energy: 0.6733673155040412
Energy: 0.7067821353873283
Energy: 0.6968423070278932
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Energy: 0.674064696270186
Energy: 0.6737057050186938
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Energy: 0.7193408364792838
Energy: 0.6762350610013029
Energy: 0.6506578116938061
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Energy: 0.7612578058268004
Energy: 0.7203438195814768
Energy: 0.6751964167900028
Energy: 0.6501390042107587
Energy: 0.7219055766916738
Energy: 0.723379147591458
Energy: 0.6521805546874917
Energy: 0.6678408316992063
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Energy: 0.6680553554622809
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Energy: 0.6921021950074783
Energy: 0.7226820784822532
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Energy: 0.6801957490604041
Energy: 0.6892359613803964
Energy: 0.6909593402126449
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Energy: 0.6639464215826694
Energy: 0.6920083498970544
Energy: 0.6894861238737561
Energy: 0.7008517966450404
Energy: 0.707605523143575
Energy: 0.7558441478848785
Energy: 0.6866831322189544
Energy: 0.7094857467018263
Energy: 0.6963210569501537
Energy: 0.7087631275856711
Energy: 0.7555948812766319
Energy: 0.6933730376583926
Energy: 0.7201598055175845
Energy: 0.758905581177454
Energy: 0.7549635735158866
Energy: 0.7576886042728409
Energy: 0.7583032972068595
Energy: 0.6826945719905297
Energy: 0.7564939301310993
Energy: 0.7544665267276671
Energy: 0.7573171937912874
Energy: 0.7514120954480918
Energy: 0.6685494370745021
Energy: 0.6944836518487273
Energy: 0.7102557287479062
Energy: 0.6941419414503711
Energy: 0.7121556724965742
Energy: 0.7292138417230177
Energy: 0.6970457222241546
Energy: 0.7254789666035444
Energy: 0.7681093214984617
Energy: 0.7062891167514178
Energy: 0.7302572841212279
Energy: 0.7686082633154695
Energy: 0.7742526988792074
Energy: 0.8072658555284665
Energy: 0.7229094238066254
Energy: 0.6636561962171129
Energy: 0.7129774313827584
Energy: 0.7739731625073213
Energy: 0.8054312689774381
Energy: 0.73153274257233
Energy: 0.6637937155319894
Energy: 0.6655618342803575
Energy: 0.769378091435676
Energy: 0.6674315541884327
Energy: 0.6717937204412229
Energy: 0.6682778317855625
Energy: 0.6679450012494956
Energy: 0.7703356881299485
Energy: 0.6668341681884215
Energy: 0.6682863382714835
Energy: 0.6705771670813552
Energy: 0.6693057931661291
Energy: 0.7351936825679752
Energy: 0.7047525129938758
Energy: 0.6632144669853375
Energy: 0.6631766415068867
Energy: 0.6957474050306778
Energy: 0.7276286912553194
Energy: 0.6888402661486429
Energy: 0.6630345717415373
Energy: 0.663533214926898
Energy: 0.7244974695334995
Energy: 0.6591799818876104
Energy: 0.6733734417159175
Energy: 0.7131336962716055
Energy: 0.6919513882800322
Energy: 0.7029211828142438
Energy: 0.6590893288140836
Energy: 0.6699930974074229
Energy: 0.7176423234190362
Energy: 0.6972549407123283
Energy: 0.6645817351435754
Energy: 0.6645356972374077
Energy: 0.7047917393124178
Energy: 0.798538684885923
Energy: 0.6647656952426313
Energy: 0.6716110885738061
Energy: 0.6723137923167908
Energy: 0.7050318173954505
Energy: 0.8012915468758246
Energy: 0.6659329368499181
Energy: 0.6683238257461812
Energy: 0.6700452654576655
Energy: 0.6691614564727951
Energy: 0.6630253220008019
Energy: 0.6710875254595011
Energy: 0.6735932816510285
Energy: 0.6734555782061673
Energy: 0.6745308919343134
Energy: 0.6887824009454421
Energy: 0.669129618719308
Energy: 0.6681070679609875
Energy: 0.6571555904237094
Energy: 0.759712897040254
Energy: 0.7561232415876475
Energy: 0.6949321687567724
Energy: 0.67096818540007
Energy: 0.718021376110149
Energy: 0.7605407975756466
Energy: 0.7096618767961476
Energy: 0.684882025860376
Energy: 0.7000854008448664
Energy: 0.7130835331605189
Energy: 0.7088712509995841
Energy: 0.6671263513467489
Energy: 0.6432893418515653
Energy: 0.6664813829161373
Energy: 0.7009795851794965
Energy: 0.7083651988201037
Energy: 0.7025047398378479
Energy: 0.6493486132961311

minimum gb energy = 0.6418280680632216 eV
minimum distance =  2.59353133900249 Angstroms
sigma value = 437


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

Energy: 0.9080309500418207
Energy: 0.6199948241039455
Energy: 0.7064457474099536
Energy: 0.6904770027393394
Energy: 0.618213241579949
Energy: 0.6489415187934531
Energy: 0.6474231418615938
Energy: 0.7041452035596351
Energy: 0.7459226406621954
Energy: 0.6800522839657576
Energy: 0.6748929222862204
Energy: 0.6791165575694348
Energy: 0.728262759322894
Energy: 0.7259883453854223
Energy: 0.6892551380219226
Energy: 0.6733673291826034
Energy: 0.6877587105858247
Energy: 0.7307518625301226
Energy: 0.6864849912670126
Energy: 0.6331878175642494
Energy: 0.6719794931935509
Energy: 0.6748174605278657
Energy: 0.684854968141614
Energy: 0.6339794817638252
Energy: 0.6801756927359902
Energy: 0.6717948695765974
Energy: 0.675516035556635
Energy: 0.6849065854026971
Energy: 0.6320223046929653
Energy: 0.6771242543518399
Energy: 0.6328379444223227
Energy: 0.6339027069411453
Energy: 0.683956061871189
Energy: 0.6373788416049476
Energy: 0.6760223546497339
Energy: 0.6341076102556472
Energy: 0.6317797634278925
Energy: 0.6840867666385942
Energy: 0.6726645239975236
Energy: 0.6780480967084014
Energy: 0.6349621930180495
Energy: 0.6456148401156955
Energy: 0.6330179182828792
Energy: 0.6398970207749136
Energy: 0.6457175833287084
Energy: 0.6346710450821822
Energy: 0.6922367525370601
Energy: 0.6338794124884913
Energy: 0.6364655815411829
Energy: 0.6478108069367492
Energy: 0.6426139651073579
Energy: 0.6314528696540878
Energy: 0.6183543130107179
Energy: 0.6367318696746513
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Energy: 0.6426551215370941
Energy: 0.6317351500899974
Energy: 0.6732339614550248
Energy: 0.6382158796486432
Energy: 0.6447116474957765
Energy: 0.6749502783593986
Energy: 0.6709543753161556
Energy: 0.6725953958067922
Energy: 0.6423888949415743
Energy: 0.6849016404503072
Energy: 0.6756010970148804
Energy: 0.6711425626841455
Energy: 0.6718116560783834
Energy: 0.6335460828084805
Energy: 0.6790193411250895
Energy: 0.6784429995093165
Energy: 0.6714905615396038
Energy: 0.6323169396224265
Energy: 0.6881507214882597
Energy: 0.6861578589551512
Energy: 0.6769745626579416
Energy: 0.6722188832641722
Energy: 0.6320578961631981
Energy: 0.6896543275662771
Energy: 0.6859700067885642
Energy: 0.630450955785695
Energy: 0.6936785430829975
Energy: 0.6224955141311268
Energy: 0.6850662573437493
Energy: 0.6317428235670003
Energy: 0.629440743356282
Energy: 0.6914313659223856
Energy: 0.6229830942885846
Energy: 0.6851019934625943
Energy: 0.6311004146913619
Energy: 0.6211298978998798
Energy: 0.6369231414413116
Energy: 0.6195530377450558
Energy: 0.6178651166202584
Energy: 0.653568822586274
Energy: 0.6696070306295007
Energy: 0.6352365272604802
Energy: 0.6203810202400486
Energy: 0.618016412283574
Energy: 0.6490232941412094
Energy: 0.6183384652911502
Energy: 0.6180111437772905
Energy: 0.6216850327003287
Energy: 0.6457811906532079
Energy: 0.6164249763950893
Energy: 0.6179126527623698
Energy: 0.6178080450965244
Energy: 0.6220716366094823
Energy: 0.6459211791688073
Energy: 0.63474250832552
Energy: 0.6185249408304077
Energy: 0.6197805563990391
Energy: 0.6200858242446741
Energy: 0.6876766070352449
Energy: 0.6199782775897507
Energy: 0.6184347063293777
Energy: 0.6208917386670183
Energy: 0.6195528645235313
Energy: 0.6858043586091972
Energy: 0.6195520278704388
Energy: 0.6190527641037058
Energy: 0.6195755082135793
Energy: 0.686751404462983
Energy: 0.6859807283206566
Energy: 0.621430340825641
Energy: 0.6195711747957058
Energy: 0.6200529644820015
Energy: 0.687863998329671
Energy: 0.6846820105519575
Energy: 0.6186209876491077
Energy: 0.7404834293986106
Energy: 0.6208664952865403
Energy: 0.7225967265248908
Energy: 0.6223525000265808
Energy: 0.6196071319457508
Energy: 0.7381179474786927
Energy: 0.6212285511768849
Energy: 0.7753470997320174
Energy: 0.6302085441728951
Energy: 0.6400480548420068

minimum gb energy = 0.6164249763950893 eV
minimum distance =  2.6644581982801 Angstroms
sigma value = 33