Model name: model_name=EAM_QuinticClampedSpline_Kim_2021_PtAu__MO_463728687265_001
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=4.153699994087219
cohesive_energy=3.033309598728601
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=[6.71113339743384e-20, 1.13971635947907e-19, 1.55646653463198e-19, 1.9318885635108597e-19, 2.2723671200021997e-19, 2.5822441027841396e-19, 2.86475590865736e-19, 3.12236988963822e-19, 3.3571047882855603e-19, 3.5705948247660597e-19, 3.7642178709849595e-19, 3.9391435158850797e-19, 4.09639715251218e-19, 4.2368759997813e-19, 4.3613651242431e-19, 4.4705855053828795e-19, 4.565161992087899e-19, 4.6456553461800595e-19, 4.71259428594858e-19, 4.76647548615e-19, 4.80771551270916e-19, 4.836714909784559e-19, 4.8538742215347e-19, 4.85951388328638e-19, 4.853361525011819e-19, 4.83323818648878e-19, 4.7963080150750795e-19, 4.739158374540299e-19, 4.657639627402379e-19, 4.54667287373154e-19, 4.4000576899542e-19, 4.2101837370588596e-19, 3.96758215113858e-19, 3.66050897746614e-19, 3.2741761257097196e-19, 2.78991823808322e-19, 2.1839429915717397e-19, 1.425602349343494e-19, 4.75099845986556e-20, -7.19910833485122e-20, -2.2291083508841996e-19, -4.1464651723246803e-19, -6.60085557971562e-19, -9.772171965522539e-19, -1.3916233872896218e-18, -1.94058838263348e-18, -2.6798326815610795e-18, -3.6953723410219795e-18, -4.4311559384201394e-18, -6.738738900837659e-18, -1.06572784252095e-17, -1.7790569343936e-17, -3.20589135756864e-17, -6.47106325059528e-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: 0.010025698267017803
Energy: 0.012666474641098057
Energy: 0.07128276961167108
Energy: 0.07110654355066909
Energy: 0.012294361572560962
Energy: 0.010918732423285754
Energy: 0.07003240199322004
Energy: 0.07143551248966015
Energy: 0.07072961161124208
Energy: 0.01185786718478438
Energy: 0.010356209726527715
Energy: 0.06960106300988675
Energy: 0.06992757406722942
Energy: 0.07087894735736457
Energy: 0.07168666455144473
Energy: 0.07021593618092786
Energy: 0.069781536959959
Energy: 0.06970909263193305
Energy: 0.07076843015173687
Energy: 0.07120796769909124
Energy: 0.07148484161898612
Energy: 0.01233907350645755
Energy: 0.010326382785020632
Energy: 0.07012218154541186
Energy: 0.0705121801150523
Energy: 0.07141300424450985
Energy: 0.011740510200646152
Energy: 0.010337968091203045
Energy: 0.06988952925762214
Energy: 0.07100572393058126
Energy: 0.07060182679982256
Energy: 0.010867357025890534
Energy: 0.010785563861536148
Energy: 0.06945929815730972
Energy: 0.0701769653824864
Energy: 0.07117862230857397
Energy: 0.01064428818680353
Energy: 0.01039960919960744
Energy: 0.06939495751896618
Energy: 0.06989458575487496
Energy: 0.07042539371834088
Energy: 0.0706516972013959
Energy: 0.07151259199952793
Energy: 0.011012154859043638
Energy: 0.010505000376599018
Energy: 0.07001300863877494
Energy: 0.07110565756532182
Energy: 0.07159403652848893
Energy: 0.011736263377543918
Energy: 0.06966932115858153
Energy: 0.07067050405107048
Energy: 0.0699768430693202
Energy: 0.07064111239493343
Energy: 0.010835254433996345
Energy: 0.013057695401323573
Energy: 0.06961797000863673
Energy: 0.06984467604257694
Energy: 0.07110956213226624
Energy: 0.010644638895009271
Energy: 0.013851311904672453
Energy: 0.01382660813542624
Energy: 0.07167056312720571
Energy: 0.07033539783015698
Energy: 0.07057049550377147
Energy: 0.07213053792921059
Energy: 0.013523460233142486
Energy: 0.07208574795937817
Energy: 0.0703610508616402
Energy: 0.07098105202690591
Energy: 0.07157276503596555

minimum gb energy = 0.010025698267017803 eV
minimum distance =  2.89753714498919 Angstroms
sigma value = 3


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

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Energy: 0.5572590031706143
Energy: 0.557892486815489
Energy: 0.5451336824955033
Energy: 0.5612349203147938
Energy: 0.578279994133946
Energy: 0.5453792333196408
Energy: 0.548671041154408
Energy: 0.5448171638630503
Energy: 0.5569016912569873
Energy: 0.5084883981665552
Energy: 0.5594333738770951
Energy: 0.5417224660156972
Energy: 0.4901378249286346
Energy: 0.47751421879375533
Energy: 0.47304131584164594
Energy: 0.5479369597579712
Energy: 0.5420431671298196
Energy: 0.5131344720314208
Energy: 0.5540714376377439
Energy: 0.5510426542823749
Energy: 0.5719144937940835
Energy: 0.5114173142433165
Energy: 0.522683810032023
Energy: 0.5530653214441418
Energy: 0.474622027220906
Energy: 0.5288016008094754
Energy: 0.5098568386723006
Energy: 0.5210630161156501
Energy: 0.5467601373612859
Energy: 0.5575833816854745
Energy: 0.5920526425940698
Energy: 0.49459723814631534
Energy: 0.47240220446825726
Energy: 0.554369017249445
Energy: 0.4794893721792693
Energy: 0.5496949739780762
Energy: 0.5487316892743589
Energy: 0.5333925526548924
Energy: 0.523800811057666
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Energy: 0.5585314101830651
Energy: 0.5797945314282865
Energy: 0.6191425311779141
Energy: 0.44520330931535346
Energy: 0.6001371259207603
Energy: 0.558579377890725
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Energy: 0.5459385258133819
Energy: 0.48071149504988314
Energy: 0.5674013567479823
Energy: 0.5679481809783576
Energy: 0.5953621065066727
Energy: 0.502786947634573
Energy: 0.5858518205532416
Energy: 0.5681992377809125
Energy: 0.5887612071038869
Energy: 0.5560631664584916
Energy: 0.5050655021572725
Energy: 0.5748104613055922
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Energy: 0.5820285867600647
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Energy: 0.5836354312203461
Energy: 0.577173669032759
Energy: 0.5792781901733384
Energy: 0.5810005330503423
Energy: 0.5856508431466539
Energy: 0.5797744148930345
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Energy: 0.5733343984173497
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Energy: 0.5818987895959509
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Energy: 0.5255050477713998
Energy: 0.4452819725631831
Energy: 0.5708180880441293
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Energy: 0.5223020791805836
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Energy: 0.6034287294100903
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Energy: 0.5091413705845462
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Energy: 0.5228300823188089
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Energy: 0.5787675700334722
Energy: 0.5778421063665037
Energy: 0.5488853620664894
Energy: 0.4408921634985503
Energy: 0.5261181553210745
Energy: 0.5778877578305722
Energy: 0.576965646296883
Energy: 0.5921173889634854
Energy: 0.6751707750898326
Energy: 0.5723332066457063
Energy: 0.5738420943910225
Energy: 0.575351699985886
Energy: 0.5733875544367535
Energy: 0.6033979355982637
Energy: 0.5720667437078907
Energy: 0.5759701388263566
Energy: 0.5751040069610978
Energy: 0.5669664268401319
Energy: 0.4816834906509335
Energy: 0.5400851311160781
Energy: 0.5756185959825537
Energy: 0.5245128726140259
Energy: 0.5162451711311282
Energy: 0.47540865024129514
Energy: 0.6817618651647819
Energy: 0.5762805159421476
Energy: 0.5250126432230852
Energy: 0.5159160940504477
Energy: 0.5243195789884458
Energy: 0.49474739105806953
Energy: 0.4939515256532394
Energy: 0.525727071504352
Energy: 0.5476669865703516
Energy: 0.5154282021161137
Energy: 0.5618736638799177
Energy: 0.49267734423994247
Energy: 0.5472324550351136
Energy: 0.5465423776444309
Energy: 0.5258772377392709
Energy: 0.5049348772337083
Energy: 0.4936670162412516
Energy: 0.4745802845102772
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Energy: 0.504435153618075
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Energy: 0.5232198506961748
Energy: 0.4943337702765649
Energy: 0.47573308856242824
Energy: 0.6037003589385894
Energy: 0.5627402281044417
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Energy: 0.48355586663073324
Energy: 0.5078002285348525
Energy: 0.6025088312285602
Energy: 0.5996761579112396
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Energy: 0.5860972079518296
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Energy: 0.5883404719991531
Energy: 0.5848466967795583
Energy: 0.6069474117353889
Energy: 0.5544718712419369
Energy: 0.6010478549178938
Energy: 0.5853060094584241
Energy: 0.5706287017957331
Energy: 0.5496999491977178
Energy: 0.47862483379643944
Energy: 0.5857911332041732
Energy: 0.5826529110900002
Energy: 0.5995018109118778
Energy: 0.5484857385856897
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Energy: 0.6098231886986671
Energy: 0.6151147149848558
Energy: 0.5717225561046894
Energy: 0.5930276745070467
Energy: 0.487247932370189
Energy: 0.5726856692016348
Energy: 0.5793154940268674
Energy: 0.5679447461167638
Energy: 0.5450930524784283
Energy: 0.5327323062691935
Energy: 0.5772667545086848
Energy: 0.5764379290747529
Energy: 0.5235523040585625
Energy: 0.465813612385951
Energy: 0.5189413365470966
Energy: 0.570510317205845
Energy: 0.5791029593284698
Energy: 0.5230999361366686
Energy: 0.48595525190455313
Energy: 0.6267292549063571
Energy: 0.5691601787093397
Energy: 0.4773444535318997
Energy: 0.5485936220976343
Energy: 0.4816303696697814
Energy: 0.5144749569557096
Energy: 0.5494568328486094
Energy: 0.49994578769751363
Energy: 0.5463428634176803
Energy: 0.5215536603079106
Energy: 0.525342121240157
Energy: 0.5085745209726065
Energy: 0.5978620110577034
Energy: 0.4781031002194264
Energy: 0.5060679603213856
Energy: 0.5030267840118913
Energy: 0.5495450089177787
Energy: 0.517139877211167
Energy: 0.5038678528461593
Energy: 0.4768083088528414
Energy: 0.5036061135606731
Energy: 0.5097740377557415
Energy: 0.6193129915137071
Energy: 0.481286592548186
Energy: 0.530947488879385
Energy: 0.511705302333925
Energy: 0.5606317930688215
Energy: 0.5563483209013977
Energy: 0.44649720255814335
Energy: 0.4802309848274003
Energy: 0.5815833153140577
Energy: 0.5936284188571797
Energy: 0.6327244107318136
Energy: 0.5483503974240915
Energy: 0.5894873885548971
Energy: 0.5842663225491476
Energy: 0.5884195936766504
Energy: 0.5614379226421827
Energy: 0.5552889168541641
Energy: 0.5405453208935107
Energy: 0.5855760090657033
Energy: 0.5766135999457687
Energy: 0.5203433443203674
Energy: 0.5506850263010746
Energy: 0.549736670524134
Energy: 0.5493168396938259
Energy: 0.544549996393464
Energy: 0.47327757364262363
Energy: 0.4792929002253193
Energy: 0.5547446330954078
Energy: 0.5490423838698458
Energy: 0.5693815816447692
Energy: 0.5940195783482473
Energy: 0.5457048987192805
Energy: 0.5584398250426648
Energy: 0.5407848624743878
Energy: 0.5442584661141059
Energy: 0.5674291706549872
Energy: 0.5592283192756744
Energy: 0.5412328375764356
Energy: 0.5405639538756929
Energy: 0.525874058928207

minimum gb energy = 0.4408921634985503 eV
minimum distance =  2.73624489655613 Angstroms
sigma value = 75


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

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Energy: 0.515821449239555
Energy: 0.5420947479826396
Energy: 0.5436246039539122
Energy: 0.5258750216740319
Energy: 0.5176412662461702
Energy: 0.5337133294657944
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Energy: 0.5370421879420987
Energy: 0.5458763867440749
Energy: 0.5282651922203841
Energy: 0.5602956856113412
Energy: 0.5397831976965054
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Energy: 0.5340853440207306
Energy: 0.6146111856906966
Energy: 0.5338475809534481
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Energy: 0.5473935878729954
Energy: 0.5395071963955407
Energy: 0.5620487820343409
Energy: 0.5561733524514288
Energy: 0.5359780170007628
Energy: 0.5467850478531298
Energy: 0.5624113438430294
Energy: 0.5297615472129843
Energy: 0.5258878620633398
Energy: 0.5275000283284467
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Energy: 0.5460019816194874
Energy: 0.5343711711538354
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Energy: 0.5316729042345754
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Energy: 0.5498137070312716
Energy: 0.5324276383512873
Energy: 0.5722393338337266
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Energy: 0.5324040635717795
Energy: 0.5322852576645077
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Energy: 0.5502524814440161
Energy: 0.5466422622358639
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Energy: 0.5491620370056437
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Energy: 0.6260747094295096
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Energy: 0.5474885473230898
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Energy: 0.5680007584627883
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minimum gb energy = 0.510581658981191 eV
minimum distance =  2.68617604682826 Angstroms
sigma value = 105


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

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Energy: 0.5430959882962992
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Energy: 0.5447201858227725
Energy: 0.5422339925413825
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Energy: 0.5384801288844304
Energy: 0.5376108898156785
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Energy: 0.5417624919661475
Energy: 0.5441317984977255
Energy: 0.5341218243109982
Energy: 0.539834518130356
Energy: 0.5508473150816489
Energy: 0.5421793606163808
Energy: 0.5412702311672155
Energy: 0.5388309560020682
Energy: 0.5523811528109026
Energy: 0.5763747830329822
Energy: 0.547819784848172
Energy: 0.5365955012755792
Energy: 0.5266707892185373
Energy: 0.5491047674099496
Energy: 0.561442529772029
Energy: 0.5423074321487136
Energy: 0.5657000388740374
Energy: 0.5817616624427261
Energy: 0.5673755368655636
Energy: 0.5382417766080364
Energy: 0.5369725535540437
Energy: 0.5494523161626822
Energy: 0.5428360642369615
Energy: 0.5696437675041982
Energy: 0.5388167085186518
Energy: 0.5378683499451336
Energy: 0.5375168919564002
Energy: 0.5790093254401935
Energy: 0.5591876864933004
Energy: 0.539289890156703
Energy: 0.5282266423198089
Energy: 0.5872316615531207
Energy: 0.5416308498673127
Energy: 0.5369149566179114
Energy: 0.5400100960916205
Energy: 0.5383050736315164
Energy: 0.5843559318222927
Energy: 0.5504160514998391
Energy: 0.5306967177073038
Energy: 0.5353513995341032
Energy: 0.530808987218299
Energy: 0.5913453760103837
Energy: 0.5361599679262281
Energy: 0.5344102787410986
Energy: 0.5609986848994553
Energy: 0.530773592951976
Energy: 0.5946639692950731
Energy: 0.5497282459232055
Energy: 0.5451943413723234
Energy: 0.5452171542268895
Energy: 0.5778131650496159
Energy: 0.5285380356704977
Energy: 0.5298896264244068
Energy: 0.533186802724713
Energy: 0.5392814841401385
Energy: 0.5470664091045445
Energy: 0.5426971950931263
Energy: 0.5454342413712232
Energy: 0.5262588981596753
Energy: 0.5263712231123961
Energy: 0.5520033729695831
Energy: 0.5243143677166741
Energy: 0.5241078817065734
Energy: 0.5260308981322227
Energy: 0.5531701240032577
Energy: 0.530310402839294
Energy: 0.5524279955996733

minimum gb energy = 0.5241078817065734 eV
minimum distance =  2.65800764199676 Angstroms
sigma value = 165


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

Energy: 0.6688740581337264
Energy: 0.5044052229944005
Energy: 0.5143620539651209
Energy: 0.5165534513936068
Energy: 0.5035440948001039
Energy: 0.6687594267430141
Energy: 0.514303427283384
Energy: 0.5142384601816944
Energy: 0.5165759982550248
Energy: 0.5033833643289833
Energy: 0.5279117474366457
Energy: 0.5171875074249233
Energy: 0.5192992577676048
Energy: 0.507353466302258
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Energy: 0.5190367586683352
Energy: 0.5175212254964516
Energy: 0.5188720095816878
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Energy: 0.5140341600838028
Energy: 0.5081316336236877
Energy: 0.5141417631801681
Energy: 0.5267837646659418
Energy: 0.509676595064635
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Energy: 0.5085409289074709
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Energy: 0.5225871315590556
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Energy: 0.5030282325843146
Energy: 0.5223268323056192
Energy: 0.5168298949992265
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Energy: 0.5170130958244405
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Energy: 0.513528018277923
Energy: 0.5089562168090909
Energy: 0.5170565829497428
Energy: 0.5267845943034465
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Energy: 0.5087008789688314
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Energy: 0.5155804459038287
Energy: 0.5090426945227375
Energy: 0.5081192118353948
Energy: 0.5086723743720093
Energy: 0.514280830442635
Energy: 0.5063078064434924
Energy: 0.5082614037567467
Energy: 0.5125464450011588
Energy: 0.5098090493367301
Energy: 0.5075636229549422
Energy: 0.5077790440781522
Energy: 0.509223405937083
Energy: 0.5135923020768456
Energy: 0.5095059194328584
Energy: 0.5076459362854234
Energy: 0.5039213071628751
Energy: 0.5061658398608355
Energy: 0.5059710530409103
Energy: 0.508496994129807
Energy: 0.51708586991537
Energy: 0.5131722143150477
Energy: 0.5062790105163608
Energy: 0.505355252370945
Energy: 0.5086729200630139
Energy: 0.5171283655864081
Energy: 0.5137391076984382
Energy: 0.5089016721554329
Energy: 0.5158836221503714
Energy: 0.515816959249679
Energy: 0.5080185440433589
Energy: 0.5079731236765815
Energy: 0.5149356089108789
Energy: 0.5153113054834834
Energy: 0.5256740789023993
Energy: 0.5069364386056897
Energy: 0.5081361111904805
Energy: 0.5274399681669542
Energy: 0.5095394996929459
Energy: 0.5179439237943404
Energy: 0.5142991764487065
Energy: 0.5153464640845365
Energy: 0.5275774433147581
Energy: 0.5086693835389876
Energy: 0.5184713627962741
Energy: 0.514399151319312
Energy: 0.5155647842558599

minimum gb energy = 0.502653229963922 eV
minimum distance =  2.71750194734479 Angstroms
sigma value = 41


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

Energy: 0.8560288718459576
Energy: 0.4575884138221653
Energy: 0.46617855168778827
Energy: 0.45994927628116244
Energy: 0.457704060315199
Energy: 0.4547533672673548
Energy: 0.5084757054290728
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Energy: 0.45861547794453505
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Energy: 0.4564062203666622
Energy: 0.4575318327597408
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Energy: 0.4546357627281779
Energy: 0.45440758498895956
Energy: 0.45697471163566555
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Energy: 0.4557937581699807
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Energy: 0.4592635895410974
Energy: 0.5460655477876584
Energy: 0.4540222988769559
Energy: 0.45563052987275626
Energy: 0.4553024359839982
Energy: 0.4589186545752351
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Energy: 0.4538164260648379
Energy: 0.47894991414483434
Energy: 0.45810519118625903
Energy: 0.4534612577682752
Energy: 0.4556708351020199
Energy: 0.45394150599065003
Energy: 0.45545974382715115
Energy: 0.45808921677523395
Energy: 0.45300547317307477
Energy: 0.45601280133242333
Energy: 0.4565110330228179
Energy: 0.49679786234648377
Energy: 0.463634772270433
Energy: 0.4596396680691381
Energy: 0.4726173715652028
Energy: 0.4572099590961796
Energy: 0.4628889346735152
Energy: 0.4636254860204324
Energy: 0.45917742395325495
Energy: 0.4737018121331595
Energy: 0.46252137700033735
Energy: 0.45476946503918925
Energy: 0.459988736191498
Energy: 0.4629935058919867
Energy: 0.4605252925674426
Energy: 0.46213525700269903
Energy: 0.4645413661459506
Energy: 0.459838137394937
Energy: 0.47193987630102235
Energy: 0.45796272545165967
Energy: 0.4562758355194148
Energy: 0.4551104431321578
Energy: 0.5056550297025273
Energy: 0.4780275174661716
Energy: 0.45409884699009306
Energy: 0.5563822958974813
Energy: 0.455371385083288
Energy: 0.5055385453675405
Energy: 0.4543937236735489
Energy: 0.45263047719408495

minimum gb energy = 0.4506793336350111 eV
minimum distance =  2.74860031821577 Angstroms
sigma value = 185


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

Energy: 0.4636644559014071
Energy: 0.31847318536111613
Energy: 0.34076676800828803
Energy: 0.3436384125373435
Energy: 0.38634614798931094
Energy: 0.42019931493189844
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Energy: 0.4790802825998214
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Energy: 0.33637932023128675
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Energy: 0.371867482983643
Energy: 0.31212208171254024
Energy: 0.3115430835865301
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Energy: 0.3671229557775147
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Energy: 0.32856374342829664
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Energy: 0.3293245786383596
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Energy: 0.31746085284262393
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Energy: 0.33664999057727985
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Energy: 0.3210958180207231
Energy: 0.3179896336428783
Energy: 0.351471727018543
Energy: 0.33513015804056673
Energy: 0.3252345570514048
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Energy: 0.36407798655952717
Energy: 0.31393075082022764
Energy: 0.30119606130045923
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Energy: 0.3170669720944362
Energy: 0.31905436191480147
Energy: 0.3368444948302769
Energy: 0.3710893461646727
Energy: 0.40020375299577543
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Energy: 0.3620055656586636
Energy: 0.38612480928642573
Energy: 0.3590032606838338
Energy: 0.322385116721236
Energy: 0.31306241851827693
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Energy: 0.3186688770010397
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Energy: 0.34914849513606727
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Energy: 0.3536005736110489
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Energy: 0.3335836022132643
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Energy: 0.36927195032703364
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Energy: 0.3483219190312015
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Energy: 0.36667238951302766
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Energy: 0.36692271924631287
Energy: 0.33061481639040896
Energy: 0.3196527255397718
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Energy: 0.31439863349360275
Energy: 0.3138455463616024
Energy: 0.3142658167610134
Energy: 0.3140712826461891
Energy: 0.3340178957107501
Energy: 0.3161707797712553
Energy: 0.3261287868377633
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Energy: 0.31146315875193753
Energy: 0.31667644976415965
Energy: 0.43967046410069205
Energy: 0.33260681861687275
Energy: 0.3613952622271481
Energy: 0.3160629388184284
Energy: 0.3197385253676954
Energy: 0.3549668731274824
Energy: 0.369554361234005
Energy: 0.39699644033042664
Energy: 0.3293261677725751
Energy: 0.4794322212732035
Energy: 0.3410904412100205
Energy: 0.3751028207308628
Energy: 0.4047778071463316
Energy: 0.35892028166462975
Energy: 0.4447961813009521
Energy: 0.3504780779668994
Energy: 0.3110336320032399
Energy: 0.315164043491998
Energy: 0.3788599308921994
Energy: 0.4098249577716928
Energy: 0.3233981496356784
Energy: 0.3269132356164163
Energy: 0.32225973354108917
Energy: 0.43466762570369183
Energy: 0.429548701915947
Energy: 0.30870753850501165
Energy: 0.4143511546621034
Energy: 0.3289724024995862
Energy: 0.46764513333585306
Energy: 0.4564870166281877
Energy: 0.3360055783787911
Energy: 0.39390551488937864
Energy: 0.4119068968156289
Energy: 0.47403046128746745
Energy: 0.3247085069072809
Energy: 0.3991005216864431

minimum gb energy = 0.30119606130045923 eV
minimum distance =  2.62870456630323 Angstroms
sigma value = 33


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

Energy: 0.728764814434985
Energy: 0.41106605821263575
Energy: 0.4419959225436343
Energy: 0.43096159609124207
Energy: 0.3981963112741282
Energy: 0.39840666300942984
Energy: 0.4106771761213712
Energy: 0.4382495336532259
Energy: 0.4184538099488387
Energy: 0.40657505404202154
Energy: 0.40653256937326454
Energy: 0.4177374152455593
Energy: 0.4227759291146323
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Energy: 0.41578645795896546
Energy: 0.40374493913822845
Energy: 0.4430509243149554
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Energy: 0.41792890417794254
Energy: 0.42188996829012193
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Energy: 0.4260242723890979
Energy: 0.44360071414328966
Energy: 0.40127882961032524
Energy: 0.4224084702108041
Energy: 0.42578815865344755
Energy: 0.4265409730864101
Energy: 0.4570123376997345
Energy: 0.40138644122568967
Energy: 0.4650232280232187
Energy: 0.43685839902949114
Energy: 0.43345277882296995
Energy: 0.42031652378311557
Energy: 0.42517792386498554
Energy: 0.45237130750190996
Energy: 0.4355406950350754
Energy: 0.42838520084312526
Energy: 0.4255204786397432
Energy: 0.40222452393948555
Energy: 0.4172900236623931
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Energy: 0.4349005800868718
Energy: 0.4080728292975308
Energy: 0.42472579882314543
Energy: 0.41843522555749185
Energy: 0.4231853670418116
Energy: 0.4351440432008929
Energy: 0.40808710628901546
Energy: 0.4289327707108612
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Energy: 0.4168653307320576
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Energy: 0.43629723484149213
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Energy: 0.4099296825966439
Energy: 0.4326632788631996
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Energy: 0.42682405357134706
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Energy: 0.4499813763779726
Energy: 0.40794809441364144
Energy: 0.4175197599995889
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Energy: 0.40882143757510003
Energy: 0.4078367960481786
Energy: 0.4081580438364418
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Energy: 0.40461322973812963
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Energy: 0.4078847397811236
Energy: 0.40774951196794784
Energy: 0.41091856338822375
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Energy: 0.4099279868920759
Energy: 0.42224063456399646
Energy: 0.4078024116484215
Energy: 0.4107213452963363
Energy: 0.409704273296713
Energy: 0.40843493161932404
Energy: 0.4086343028093091
Energy: 0.5212296609294219
Energy: 0.4138452777954951
Energy: 0.4333286588465832
Energy: 0.40483001640822164
Energy: 0.4175080334433395
Energy: 0.41423573608386066
Energy: 0.40801739306929796
Energy: 0.44101032355191033
Energy: 0.40503078350024574
Energy: 0.41386357326442724
Energy: 0.4076481926919656
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Energy: 0.40473828199585876

minimum gb energy = 0.3969739682346389 eV
minimum distance =  2.72683984303833 Angstroms
sigma value = 219


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

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Energy: 0.5177069340282047
Energy: 0.5357172702186568
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Energy: 0.5098557314518862
Energy: 0.5172698687672505
Energy: 0.5350877827714017
Energy: 0.5366659334637782
Energy: 0.5167154876346807

minimum gb energy = 0.5089402411967905 eV
minimum distance =  2.70526288365363 Angstroms
sigma value = 15


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

Energy: 0.8895861106982081
Energy: 0.601768629790386
Energy: 0.6170838500553458
Energy: 0.6118805410172624
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Energy: 0.5959894549847411
Energy: 0.6150324396538766
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minimum gb energy = 0.5926455225806391 eV
minimum distance =  2.66868308298216 Angstroms
sigma value = 293


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

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Energy: 0.6057082147248551
Energy: 0.6034552926310974
Energy: 0.6087673651683374
Energy: 0.6048026718193676
Energy: 0.6338958251592601
Energy: 0.6054261104192079
Energy: 0.6038963336288684
Energy: 0.5939319209906276
Energy: 0.606030812244105
Energy: 0.6338000152381946
Energy: 0.606551400375932
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Energy: 0.5969931850793858
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Energy: 0.6165896643476005
Energy: 0.6957144999066723
Energy: 0.6134234429669946
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Energy: 0.6038712414665343
Energy: 0.5849105564710382
Energy: 0.8341877726233877
Energy: 0.6179499377951088
Energy: 0.6068035239456264
Energy: 0.6045185600273978
Energy: 0.5852411396927417
Energy: 0.6057271347061027
Energy: 0.5911710091813015
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Energy: 0.5849604759930708
Energy: 0.602115511715145
Energy: 0.6143029931190113
Energy: 0.5998995674091279
Energy: 0.6080562925784952
Energy: 0.6049635231478809
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Energy: 0.6102853040279621
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Energy: 0.6083500713208114
Energy: 0.6044621831480513
Energy: 0.6122644830581782
Energy: 0.610135740546776
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Energy: 0.603130182747412
Energy: 0.6714726632845587
Energy: 0.6178179187072464
Energy: 0.6041947309239479
Energy: 0.6182514747365073
Energy: 0.603090227339909
Energy: 0.6706916353778734
Energy: 0.6169122698768106
Energy: 0.6050923393628841
Energy: 0.6185730486947418
Energy: 0.6428959947357952
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Energy: 0.6337216595883127
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Energy: 0.5967444531348418
Energy: 0.6328834610060047
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Energy: 0.6057604978848008
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Energy: 0.637843838887869
Energy: 0.6356783689694909
Energy: 0.6031194062138279
Energy: 0.6125150344831416
Energy: 0.6734302908179833
Energy: 0.6163815695625654
Energy: 0.6324457358827684
Energy: 0.6100965695739441
Energy: 0.6012528580459348
Energy: 0.6036905098822578
Energy: 0.6343131502099078
Energy: 0.6285738381474161
Energy: 0.5926895051323042
Energy: 0.609510744164482
Energy: 0.6055927485660542
Energy: 0.5992772312535571
Energy: 0.6125901490864771
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Energy: 0.5993887876680277
Energy: 0.5890275099519579
Energy: 0.591075828065354
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Energy: 0.6007226854104654
Energy: 0.6045566504539708
Energy: 0.6081279480137719
Energy: 0.6015233146045114
Energy: 0.6122816107971761
Energy: 0.6006362899111595
Energy: 0.5841386568321567
Energy: 0.5923971035036368
Energy: 0.6099981432640593
Energy: 0.6378678154461074
Energy: 0.6114655334094335
Energy: 0.6108932473201337
Energy: 0.6044895878809032
Energy: 0.6252502740002251
Energy: 0.6354751496434401
Energy: 0.7040480380359043
Energy: 0.6330853764005417
Energy: 0.604847982297503
Energy: 0.6075275496480534
Energy: 0.6131685094812507
Energy: 0.6251254217896851
Energy: 0.6139464134320288
Energy: 0.6046608471340863
Energy: 0.607696690320386
Energy: 0.6067394510275762
Energy: 0.5838156425762431
Energy: 0.6118170445509913
Energy: 0.6121486965188707
Energy: 0.5918576197214779
Energy: 0.6353083254966333
Energy: 0.6002590137856549
Energy: 0.6117524066618145
Energy: 0.6137668594419782
Energy: 0.5913365002093942
Energy: 0.6204834008755991
Energy: 0.6457990600712377
Energy: 0.6053227720189904
Energy: 0.6027998703585539
Energy: 0.6172439595366792
Energy: 0.6708925608710189
Energy: 0.6036199763113731
Energy: 0.6059685592489711
Energy: 0.6032555100320791
Energy: 0.6178749958709585
Energy: 0.6715422954448281
Energy: 0.58845040231185
Energy: 0.6067734406199345
Energy: 0.632808522987282
Energy: 0.5967615896476203
Energy: 0.6042602490907687
Energy: 0.6347705173198317
Energy: 0.6338716243905413
Energy: 0.6338555795218118
Energy: 0.6326175390565841
Energy: 0.6052229622527182
Energy: 0.6358900529725867
Energy: 0.6058182747582544
Energy: 0.5936653436302568
Energy: 0.6463024374467791
Energy: 0.6064853012854252
Energy: 0.6353367816551562
Energy: 0.6052032586002367
Energy: 0.5914875454941431
Energy: 0.6066623992557615
Energy: 0.6070902494992986
Energy: 0.6352079751813
Energy: 0.5817140490256736
Energy: 0.6001665663477139
Energy: 0.6207247141732652
Energy: 0.6143716579550487
Energy: 0.5960415213361323
Energy: 0.6230758881972903
Energy: 0.5999691288898797
Energy: 0.6651892822635145
Energy: 0.6148015629568168
Energy: 0.5937013373544326

minimum gb energy = 0.5817140490256736 eV
minimum distance =  2.6710862220713 Angstroms
sigma value = 293


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

Energy: 0.5694033747996833
Energy: 0.57101114824634
Energy: 0.5836980177976472
Energy: 0.6027210095969959
Energy: 0.5706150748834853
Energy: 0.5692130153219542
Energy: 0.5834473903647108
Energy: 0.5817333341893457
Energy: 0.6024001905738977
Energy: 0.5703696398194067
Energy: 0.5712252946024755
Energy: 0.5795632210185546
Energy: 0.5779246588375622
Energy: 0.5864118352595541
Energy: 0.5999722253859812
Energy: 0.6056801150610039
Energy: 0.5794077808992996
Energy: 0.5780972132276732
Energy: 0.5872701255104422
Energy: 0.6004921065628925
Energy: 0.5859645695176728
Energy: 0.5838511437779315
Energy: 0.5807403428545759
Energy: 0.5850667327821109
Energy: 0.6054405151643023
Energy: 0.5860280087628285
Energy: 0.5875890262175152
Energy: 0.5804848720876323
Energy: 0.6034271064744453
Energy: 0.5868738973864094
Energy: 0.5879454092401294
Energy: 0.5733959628436175
Energy: 0.5701547588677397
Energy: 0.5857285868966243
Energy: 0.5812065238734857
Energy: 0.5886533335277464
Energy: 0.5730734201024444
Energy: 0.5704142483864539
Energy: 0.5853375579910269
Energy: 0.5714764912768646
Energy: 0.6033446906049688
Energy: 0.5721951164860012
Energy: 0.5713782407426492
Energy: 0.6148708320723169
Energy: 0.5838186789137433
Energy: 0.6004086829733002
Energy: 0.5713431665527277
Energy: 0.5707924486632117
Energy: 0.5827686471958318
Energy: 0.5842446401620005
Energy: 0.586431696996295
Energy: 0.5818306442528818
Energy: 0.584292179415782
Energy: 0.5791985225669882
Energy: 0.5770385968492621
Energy: 0.5883233456073403
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Energy: 0.6024884490902044
Energy: 0.5803332351117789
Energy: 0.5767240884024811
Energy: 0.5843070426146953
Energy: 0.5689881660488204
Energy: 0.5853219960783577
Energy: 0.5803121796660393
Energy: 0.5806432556594452
Energy: 0.5840344351343184
Energy: 0.5676654935058373
Energy: 0.5847794055652091
Energy: 0.5809293681638228
Energy: 0.5800030913611549
Energy: 0.6001349073688128
Energy: 0.6186356453521662
Energy: 0.586593954074488
Energy: 0.5715012347908314
Energy: 0.5708590693910348
Energy: 0.6009383067825963
Energy: 0.5789423049793
Energy: 0.5841953100571045
Energy: 0.5736111518592628
Energy: 0.5707851157999801
Energy: 0.5799278357976558
Energy: 0.5782674727862724
Energy: 0.5855888448190208
Energy: 0.5705053767803737
Energy: 0.5818026206516302
Energy: 0.5800391409546973
Energy: 0.5856638486646332
Energy: 0.5851842908632638
Energy: 0.5704927645379031
Energy: 0.5831360115438334
Energy: 0.580490296964933
Energy: 0.5806852814318528
Energy: 0.5792242140470142
Energy: 0.6230495970503939
Energy: 0.6022700367603016
Energy: 0.5806408531780111
Energy: 0.5825619480213486
Energy: 0.5782528511790823
Energy: 0.6041662594914643
Energy: 0.5823172463512178
Energy: 0.5744102832608989
Energy: 0.5999818188159012
Energy: 0.6028557209850203
Energy: 0.5832675582388478
Energy: 0.5838832032006027
Energy: 0.5768222039066243
Energy: 0.5996060992679277
Energy: 0.572263383886038
Energy: 0.6225612086678111
Energy: 0.5823399303468656
Energy: 0.5694654334810465
Energy: 0.5829267636634432
Energy: 0.5777884608098584
Energy: 0.6018495954723859
Energy: 0.5707008102223842
Energy: 0.569512186688128
Energy: 0.585093930275626
Energy: 0.6100924297985838
Energy: 0.6025508304487236
Energy: 0.5705103803283726
Energy: 0.6197570875212096
Energy: 0.579442401418165
Energy: 0.5769887134470709
Energy: 0.5860666954161667
Energy: 0.6000556839616931
Energy: 0.6059664782028031
Energy: 0.5791140921276767
Energy: 0.5780495580783668
Energy: 0.5871572794458266
Energy: 0.6008321163315968
Energy: 0.5860334724940265
Energy: 0.5829703208376782
Energy: 0.5805885451840186
Energy: 0.6021688170452372
Energy: 0.605459944270544
Energy: 0.5859780750964323
Energy: 0.5868328298580161
Energy: 0.580429304708312
Energy: 0.5836345480871908
Energy: 0.5863412295745213
Energy: 0.5903675468563935
Energy: 0.5737270515221903
Energy: 0.5703159665766439
Energy: 0.5855881835118636
Energy: 0.5824024781816814
Energy: 0.5917786491405095
Energy: 0.5725693138201784
Energy: 0.5702387457723097
Energy: 0.5851825831347032
Energy: 0.6192835970907555
Energy: 0.6026001635212404
Energy: 0.5727254439867102
Energy: 0.5712676198862295
Energy: 0.6094099519856386
Energy: 0.583571753261929
Energy: 0.5866365925068001
Energy: 0.5705427481538264
Energy: 0.5710233224394128
Energy: 0.582719609829867
Energy: 0.5843292458451563
Energy: 0.5862425151878464
Energy: 0.5799634800296296
Energy: 0.5838636814619057
Energy: 0.5791493957296537
Energy: 0.5772315169144756
Energy: 0.5846171136417502
Energy: 0.5832166360908472
Energy: 0.601885813127607
Energy: 0.5798783324849034
Energy: 0.57703595128079
Energy: 0.6172121393957528
Energy: 0.5684983051988247
Energy: 0.585341666772404
Energy: 0.5801427410634279
Energy: 0.6138896228955034
Energy: 0.5842761317675402
Energy: 0.5675950360525124
Energy: 0.585109854667616
Energy: 0.5815251769571212
Energy: 0.58787374629555
Energy: 0.600651927004804
Energy: 0.6192520777089288
Energy: 0.585717504436668
Energy: 0.5713248606142909
Energy: 0.5706564615230301
Energy: 0.6012969433949705
Energy: 0.579441436737093
Energy: 0.5842653863515104
Energy: 0.5726486081581921
Energy: 0.5708483268803353
Energy: 0.5798739765947162
Energy: 0.5779859011518229
Energy: 0.5857839521746667
Energy: 0.5704189841245983
Energy: 0.5827937849316712
Energy: 0.5797718081621267
Energy: 0.5854806540818764
Energy: 0.5852422461091094
Energy: 0.5709470751712953
Energy: 0.587110774247004
Energy: 0.5801046689045849
Energy: 0.5810084135158959
Energy: 0.5789429247348591
Energy: 0.6056096970485346
Energy: 0.6031884183863161
Energy: 0.5812682537202493
Energy: 0.5824135645263648
Energy: 0.579687237822245
Energy: 0.6019678262106811
Energy: 0.5806395450688969
Energy: 0.5752122554248861
Energy: 0.584826973168733
Energy: 0.6029283672660494
Energy: 0.5825151513986955
Energy: 0.5831643602915074
Energy: 0.5760881022791743
Energy: 0.5848519730109066
Energy: 0.5714688346657218
Energy: 0.5838449020089861
Energy: 0.6061761222470363

minimum gb energy = 0.5675950360525124 eV
minimum distance =  2.68682135391347 Angstroms
sigma value = 15


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

Energy: 0.9479423110604142
Energy: 0.6230604302295479
Energy: 0.6339094941674405
Energy: 0.6139786619897206
Energy: 0.6205409427488523
Energy: 0.6115179056414076
Energy: 0.6428187138762637
Energy: 0.6438248551053461
Energy: 0.6229513028980763
Energy: 0.6345414452308441
Energy: 0.5765051157926512
Energy: 0.6344705906781477
Energy: 0.6147621833128912
Energy: 0.6157573381748261
Energy: 0.6078419546998172
Energy: 0.5825470039788332
Energy: 0.6376728630556675
Energy: 0.6158625373893246
Energy: 0.6421083818648421
Energy: 0.6060686678835285
Energy: 0.6509050009931717
Energy: 0.6303397634788006
Energy: 0.6401877860417173
Energy: 0.6149864715246521
Energy: 0.5970127610373144
Energy: 0.6276012497218408
Energy: 0.6236363720821865
Energy: 0.6440569898692464
Energy: 0.6066999287230841
Energy: 0.6668871358353478
Energy: 0.6092321602515489
Energy: 0.5856215452767402
Energy: 0.5925067386016674
Energy: 0.6531674516183836
Energy: 0.6675102403043027
Energy: 0.6112344752078502
Energy: 0.6104776294620047
Energy: 0.5922710972718962
Energy: 0.651431235338143
Energy: 0.6713978561087413
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Energy: 0.5999938397665007
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Energy: 0.6527405118938819
Energy: 0.5964362894093455
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Energy: 0.62755457036574
Energy: 0.6296607927581273
Energy: 0.6171880695752018
Energy: 0.5903873738582214
Energy: 0.5944752491766452
Energy: 0.6312908574123082
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Energy: 0.6570565276973453
Energy: 0.7637663970379543
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Energy: 0.5940458314795052
Energy: 0.6125142291479725
Energy: 0.5941086763289816
Energy: 0.5913241414008077
Energy: 0.5912106265762501
Energy: 0.6012040658078387
Energy: 0.6370863753080924
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Energy: 0.589082470360649
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Energy: 0.5952048625944559
Energy: 0.6465032676329685
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Energy: 0.7044222322357815
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Energy: 0.591968587642041
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Energy: 0.6400469261329357
Energy: 0.6352089040826379
Energy: 0.5960831614514202
Energy: 0.629146671441095
Energy: 0.6014113676645207
Energy: 0.5871529115765156
Energy: 0.5825016715677833
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Energy: 0.598235165656958
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Energy: 0.5834964862013726
Energy: 0.6063845364377429
Energy: 0.60272662503046
Energy: 0.6195013809180702
Energy: 0.601712999604398
Energy: 0.5976937052044623
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Energy: 0.6468005218861532
Energy: 0.6194084490067198
Energy: 0.6018859270988778
Energy: 0.5977943750282435
Energy: 0.5914384030786223
Energy: 0.687919995393899
Energy: 0.6263840171165188
Energy: 0.60858280404879
Energy: 0.5811419751552269
Energy: 0.6314154392073554
Energy: 0.6857060664228172
Energy: 0.6320989503339991
Energy: 0.6034304692453942
Energy: 0.5812603853956722
Energy: 0.6308684413886111
Energy: 0.6455226274158141
Energy: 0.6461760864955088
Energy: 0.6642380571275895
Energy: 0.5992196934374867
Energy: 0.618773021899418
Energy: 0.6470088476888796
Energy: 0.6430722199962738
Energy: 0.6638624887340101
Energy: 0.5997739906114556
Energy: 0.6457233547994906
Energy: 0.6237939031920582
Energy: 0.62654110353751
Energy: 0.5818652341701024
Energy: 0.6324352668464783
Energy: 0.6164059532902032
Energy: 0.6234802500267785
Energy: 0.6285591347089883
Energy: 0.5730382234867489
Energy: 0.6323896606444833
Energy: 0.62914957468504
Energy: 0.6046898803928192
Energy: 0.6117609341079686
Energy: 0.6670937457812629
Energy: 0.6368931608011863
Energy: 0.6319733095822057
Energy: 0.6027448008731031
Energy: 0.6136799938960005
Energy: 0.6659664903218354
Energy: 0.6353426918499884
Energy: 0.6303041809437445
Energy: 0.6355906808195831
Energy: 0.6672375236318089
Energy: 0.603736461418106
Energy: 0.6131925399966688
Energy: 0.629775065954965
Energy: 0.6375712322698753
Energy: 0.6694836263440329
Energy: 0.6214712316740435
Energy: 0.6135572125050028
Energy: 0.6281578241135368
Energy: 0.6201203333955111
Energy: 0.6338893549429077
Energy: 0.6801500538243441
Energy: 0.6299972644742833
Energy: 0.641188965947335
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Energy: 0.7018132371695684
Energy: 0.6159034299697409
Energy: 0.6713628638492408
Energy: 0.6000664454517789
Energy: 0.6958454175579463
Energy: 0.7116266003796867
Energy: 0.5957324253521684
Energy: 0.6009000051172244
Energy: 0.5990903002583206
Energy: 0.6968654710794139
Energy: 0.696503726585904
Energy: 0.5962631623309187
Energy: 0.6002083446574932
Energy: 0.5953330012967037
Energy: 0.6542538463519297
Energy: 0.5968940436381673
Energy: 0.594851284131552
Energy: 0.593837112709559
Energy: 0.5953594711521577
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Energy: 0.5966799190846749
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Energy: 0.6077941582530713
Energy: 0.6156645736470918
Energy: 0.6109887154292438
Energy: 0.6014806789460594
Energy: 0.599764118745563
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Energy: 0.6145838782875047
Energy: 0.6015932765348941
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Energy: 0.6280083078607542
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Energy: 0.5802138413863247
Energy: 0.6750909315850914
Energy: 0.6855735644290744
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Energy: 0.6028799157143835
Energy: 0.5809997936762039
Energy: 0.6750212193456686
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Energy: 0.6183744864128975
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Energy: 0.5977434450541403
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Energy: 0.6101625686492731
Energy: 0.6046485916486664
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Energy: 0.6252624636304853
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Energy: 0.6060713173163704
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Energy: 0.6356081566994431
Energy: 0.6324475261316537
Energy: 0.664458674288096
Energy: 0.670843268240309
Energy: 0.6743486259964638
Energy: 0.659484608057274
Energy: 0.6235622655736944
Energy: 0.6624714104579191
Energy: 0.6713135097988608
Energy: 0.6740701187684409
Energy: 0.6572313855417098
Energy: 0.5859671900867455
Energy: 0.6180841946009045
Energy: 0.6346904217685839
Energy: 0.5834480556440901
Energy: 0.6422881159108375
Energy: 0.6386114942075173
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Energy: 0.5829637443373787
Energy: 0.6054053796015295
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Energy: 0.5918974690906105
Energy: 0.7074826769365343
Energy: 0.6977900434618028
Energy: 0.6357283452791889
Energy: 0.5969989487978907
Energy: 0.6174277825028829
Energy: 0.706417855745191
Energy: 0.6981144726207192
Energy: 0.6285985119504294
Energy: 0.5968693625967141
Energy: 0.5926292543651108
Energy: 0.5901339283962105
Energy: 0.5951339524252838
Energy: 0.5923954881724152
Energy: 0.5908457450388667
Energy: 0.5938239420401717
Energy: 0.6038101669151522
Energy: 0.5949637739098698
Energy: 0.5925724032565496
Energy: 0.5893433910541372
Energy: 0.6055540684473941
Energy: 0.6355451529058537
Energy: 0.5957810746790048
Energy: 0.5929892188658166
Energy: 0.5887479032060565
Energy: 0.5877983588853474
Energy: 0.6359259350217386
Energy: 0.6017101134537335
Energy: 0.5933704135930407
Energy: 0.5891992887743163
Energy: 0.6003131921649439
Energy: 0.5986114320817074
Energy: 0.5907711957590102
Energy: 0.6038968549855294
Energy: 0.6197422945118787
Energy: 0.5940384964112854
Energy: 0.6082930442417959
Energy: 0.5906231432450469
Energy: 0.627025891275577
Energy: 0.6175885467145857
Energy: 0.5896164098950879
Energy: 0.5926115274853463
Energy: 0.5974706786758648
Energy: 0.6993598821397382
Energy: 0.6045141807243666
Energy: 0.5912214405011649
Energy: 0.5963598551950087
Energy: 0.6033061686427791
Energy: 0.7034964968166637
Energy: 0.5774553420227491
Energy: 0.5903519596034315
Energy: 0.5931450135168987
Energy: 0.5941160098504216
Energy: 0.6571703313385431
Energy: 0.5917778066147865
Energy: 0.5912115260378294
Energy: 0.5961704647026639
Energy: 0.5974980236267414
Energy: 0.6125780944565965
Energy: 0.591104834925555
Energy: 0.5950496992595191
Energy: 0.5869236990214146
Energy: 0.6792836953296225
Energy: 0.6753131169511732
Energy: 0.5820248596155244
Energy: 0.5940025320786122
Energy: 0.5966562693300289
Energy: 0.6795835137452011
Energy: 0.6419150098053397
Energy: 0.5936319313066785
Energy: 0.6343401861144852
Energy: 0.6504257080436857
Energy: 0.6431455583417587
Energy: 0.6089908150344631
Energy: 0.5998213399453524
Energy: 0.6053490414573508
Energy: 0.6546285852102527
Energy: 0.6583242118533059
Energy: 0.6200724856997989
Energy: 0.6101053731591601

minimum gb energy = 0.5729363573517656 eV
minimum distance =  2.66563232453779 Angstroms
sigma value = 437


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

Energy: 0.7847965534988782
Energy: 0.5935782776280936
Energy: 0.6022910133674118
Energy: 0.6243316575805036
Energy: 0.5963498041716832
Energy: 0.6114129647583246
Energy: 0.6221573106131114
Energy: 0.5979512518350298
Energy: 0.6237102926237529
Energy: 0.6130881605172225
Energy: 0.5949475554794232
Energy: 0.5914046398304638
Energy: 0.5642780213222388
Energy: 0.644912994848298
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Energy: 0.5904347867474031
Energy: 0.5795930509228986
Energy: 0.5641596901523317
Energy: 0.617577641346836
Energy: 0.5607272880493747
Energy: 0.5944057609659851
Energy: 0.5984679427766346
Energy: 0.6164298131408555
Energy: 0.5596588170987558
Energy: 0.5647441111023599
Energy: 0.5933392347253295
Energy: 0.599877812712749
Energy: 0.616832236699472
Energy: 0.5590243898083541
Energy: 0.6079420813939933
Energy: 0.5589015634709574
Energy: 0.5595190259437666
Energy: 0.615822190048448
Energy: 0.5811581666216735
Energy: 0.6070085934747094
Energy: 0.5592006009139752
Energy: 0.5599970790245667
Energy: 0.6147038786396424
Energy: 0.5832698351736652
Energy: 0.6076962294340973
Energy: 0.582416584785536
Energy: 0.6157350826909126
Energy: 0.5551029680605589
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Energy: 0.5888766008264242
Energy: 0.5719105070588995
Energy: 0.6175133295565258
Energy: 0.5545947708840421
Energy: 0.5587656160849249
Energy: 0.5873764551631894
Energy: 0.5594840731721562
Energy: 0.5591300202785349
Energy: 0.5554056652909679
Energy: 0.5787487835941879
Energy: 0.5870620093101471
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Energy: 0.6043399609124152
Energy: 0.5793470632617551
Energy: 0.7827693165031242
Energy: 0.5949844912632172
Energy: 0.5928939837661067
Energy: 0.5981867702527789
Energy: 0.5612338445047798
Energy: 0.6066674277957983
Energy: 0.5943639338704458
Energy: 0.5939889122185467
Energy: 0.5970503249941642
Energy: 0.5624592335750664
Energy: 0.5944309110979243
Energy: 0.5967702635167986
Energy: 0.5694466565771827
Energy: 0.5595302104861872
Energy: 0.5578317194113142
Energy: 0.6119078209983243
Energy: 0.5958227843594581
Energy: 0.6029790040583565
Energy: 0.5593034975866316
Energy: 0.5632844342591705
Energy: 0.6460502322462668
Energy: 0.5557202294410905
Energy: 0.6157402518933153
Energy: 0.5807876180905229
Energy: 0.6171735516265953
Energy: 0.5959995879337403
Energy: 0.5562990582009455
Energy: 0.617322955911865
Energy: 0.5866687503598856
Energy: 0.6174800104397133
Energy: 0.5954724423073477
Energy: 0.5831061531064073
Energy: 0.5892235686157139
Energy: 0.55581258879108
Energy: 0.5914477448125741
Energy: 0.5926986648439531
Energy: 0.585692189689302
Energy: 0.5902646089008068
Energy: 0.5555174257350092
Energy: 0.5918729574066158
Energy: 0.5889690249834968
Energy: 0.5557274949682823
Energy: 0.5563606928197818
Energy: 0.5583778087827882
Energy: 0.5817688535347149
Energy: 0.5507094881239485
Energy: 0.5560417290674597
Energy: 0.5554473503001226
Energy: 0.5584856071814548
Energy: 0.5818386479396943
Energy: 0.5551884986834256
Energy: 0.5553170344577082
Energy: 0.5554812436083149
Energy: 0.5621390209135076
Energy: 0.6202227160542728
Energy: 0.5570228316587719
Energy: 0.554652939915975
Energy: 0.5555614297051656
Energy: 0.559357716573895
Energy: 0.5824609833577952
Energy: 0.5564462759894622
Energy: 0.5560426232131198
Energy: 0.5550596110300862
Energy: 0.6143270483939608
Energy: 0.578478515781097
Energy: 0.5569978082807792
Energy: 0.5550426249121386
Energy: 0.5557773916959081
Energy: 0.5703580564755535
Energy: 0.5884530506266265
Energy: 0.5559581493238709
Energy: 0.6562021635353001
Energy: 0.5587067071835524
Energy: 0.5864180237084959
Energy: 0.5953942290403001
Energy: 0.5522710714119253
Energy: 0.6532812173466349
Energy: 0.5581880908131365
Energy: 0.6709991274979025
Energy: 0.5947195988450674
Energy: 0.5542499586319266

minimum gb energy = 0.5507094881239485 eV
minimum distance =  2.73082732570095 Angstroms
sigma value = 33