Model name: model_name=Sim_LAMMPS_ADP_WangXuQian_2021_AuRh__SM_066295357485_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=4.080000087618828
cohesive_energy=3.810299677720723
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=[1.141880900111604e-19, 1.7529574770257398e-19, 2.26714402417536e-19, 2.7172274841986397e-19, 3.11852466571662e-19, 3.47991162728166e-19, 3.8071241612434797e-19, 4.1042157744861e-19, 4.37419855908144e-19, 4.61937964938246e-19, 4.841617570284599e-19, 5.042402346057479e-19, 5.222999696241959e-19, 5.38448307918282e-19, 5.527749713795099e-19, 5.65361671016214e-19, 5.76277300423656e-19, 5.855843444905619e-19, 5.933388793991219e-19, 5.9959057262499e-19, 6.043858872905519e-19, 6.07766479988292e-19, 6.09769200780792e-19, 6.10429297554e-19, 6.097067158920659e-19, 6.07341903180282e-19, 6.02990391442338e-19, 5.962388191066619e-19, 5.8657769400364195e-19, 5.73385371599286e-19, 5.558976136391759e-19, 5.33165931555984e-19, 5.04006316817184e-19, 4.6693835821296e-19, 4.2008430472826397e-19, 3.6105851535507e-19, 2.8678961748599997e-19, 1.9329299783229597e-19, 7.53426766491768e-20, -7.472215363882859e-20, -2.6935152700154396e-19, -5.29029111486996e-19, -8.90515408003344e-19, -1.40992344880317e-18, -2.16825768232488e-18, -3.27611475943686e-18, -4.89290324433894e-18, -7.2465648067503e-18, -1.0675014520547881e-17, -1.5688129077735838e-17, -2.3074547882868e-17, -3.41226772979418e-17, -5.08197610891728e-17, -7.95270813641946e-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: 0.013052897605380196
Energy: 0.01603529783887884
Energy: 0.07571947739008844
Energy: 0.07536041893020884
Energy: 0.01543010720725234
Energy: 0.01397645018046174
Energy: 0.07450192607681412
Energy: 0.07550640085392397
Energy: 0.07494065223717099
Energy: 0.014979216108722094
Energy: 0.01378170867163872
Energy: 0.07356689193457157
Energy: 0.07495174700640109
Energy: 0.07536186908459669
Energy: 0.0757083794902157
Energy: 0.07443685691442897
Energy: 0.07551174911138424
Energy: 0.07488565729805123
Energy: 0.07551848113197512
Energy: 0.07507789909588963
Energy: 0.07595662690369386
Energy: 0.015613118587040922
Energy: 0.013355876387197391
Energy: 0.07408852108428461
Energy: 0.07497461650728353
Energy: 0.07554540566859301
Energy: 0.015020522524655302
Energy: 0.0133283594407183
Energy: 0.07399469816540716
Energy: 0.07563160340185475
Energy: 0.07453567718858109
Energy: 0.014307542050445536
Energy: 0.014025977639019256
Energy: 0.07462131068436098
Energy: 0.07420664212728842
Energy: 0.07484708779613822
Energy: 0.014507087751499167
Energy: 0.013535619963639358
Energy: 0.07367961923501323
Energy: 0.07418121992470525
Energy: 0.07480888748572789
Energy: 0.07476129894779475
Energy: 0.07596055394595781
Energy: 0.014319288329527223
Energy: 0.013680670643031634
Energy: 0.07446640707405607
Energy: 0.07522551528085349
Energy: 0.07597957336851606
Energy: 0.015013857557706884
Energy: 0.07402795117002393
Energy: 0.0758214586570064
Energy: 0.07419361438453564
Energy: 0.07465956795889615
Energy: 0.013946193591965873
Energy: 0.016435692289084935
Energy: 0.07514721612017483
Energy: 0.0737533225943766
Energy: 0.07500409710988368
Energy: 0.014411893897192654
Energy: 0.01369126547891622
Energy: 0.017275185912574143
Energy: 0.07575145710248955
Energy: 0.0749753248962019
Energy: 0.07581729599172896
Energy: 0.07629957134497073
Energy: 0.016988713132170832
Energy: 0.07629892546912047
Energy: 0.07468969980028652
Energy: 0.07499046633463036
Energy: 0.07583084510140459

minimum gb energy = 0.013052897605380196 eV
minimum distance =  2.8465192485896 Angstroms
sigma value = 3


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

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Energy: 0.5921801091791754
Energy: 0.5704428735991172
Energy: 0.5560815640389389
Energy: 0.56542866122702
Energy: 0.5888287012359015
Energy: 0.5563916233098116
Energy: 0.5564451523382083
Energy: 0.5563941090992073
Energy: 0.5895913538248625
Energy: 0.5036468320132799
Energy: 0.6198048625502864
Energy: 0.5566287313254225
Energy: 0.5930407144452469
Energy: 0.49048726301947854
Energy: 0.49014489831330277
Energy: 0.5438509026097431
Energy: 0.5907137282271762
Energy: 0.5004211228765094
Energy: 0.5161479898014675
Energy: 0.5442378194541582
Energy: 0.6198325232961096
Energy: 0.5256360115037308
Energy: 0.4883918290863388
Energy: 0.4888311021761634
Energy: 0.49036322819316824
Energy: 0.61772517403179
Energy: 0.5271144911667758
Energy: 0.49065866609719383
Energy: 0.5569251761189664
Energy: 0.5160088289056997
Energy: 0.6215429969534163
Energy: 0.6298106770457597
Energy: 0.48781906289745025
Energy: 0.49635205244818537
Energy: 0.49145692613822656
Energy: 0.5581203323841257
Energy: 0.6250861428375963
Energy: 0.5442109077459357
Energy: 0.556955707778689
Energy: 0.559697460920967
Energy: 0.5895318014642362
Energy: 0.6487233438147465
Energy: 0.5361270609932213
Energy: 0.5127894128146855
Energy: 0.645235692742656
Energy: 0.5886927036094354
Energy: 0.5968782440921766
Energy: 0.5955370533274653
Energy: 0.5113379598184619
Energy: 0.6153952787898906
Energy: 0.5876923839928134
Energy: 0.5966200323838183
Energy: 0.5451880389567354
Energy: 0.6263532092123546
Energy: 0.6153924460247344
Energy: 0.5865107330808099
Energy: 0.6474977548910362
Energy: 0.5459199997477857
Energy: 0.6022203749208747
Energy: 0.6552849344967435
Energy: 0.6483301097621192
Energy: 0.6269855782599272
Energy: 0.5520542373052522
Energy: 0.6440683017497675
Energy: 0.6489254217330223
Energy: 0.588529325344616
Energy: 0.5222050733383152
Energy: 0.5521277879502486
Energy: 0.6391681905062205
Energy: 0.6237083075230065
Energy: 0.6212363857936486
Energy: 0.6111111453685995
Energy: 0.5677293189296697
Energy: 0.6191971460379558
Energy: 0.6186454090722896
Energy: 0.5865116170274064
Energy: 0.602974134938685
Energy: 0.6030435387246595
Energy: 0.6224014072038118
Energy: 0.6580262545334254
Energy: 0.45600967349784244
Energy: 0.508167378455476
Energy: 0.5803509802388619
Energy: 0.6194701254514514
Energy: 0.6549005201187317
Energy: 0.5451364698026555
Energy: 0.5010113354188243
Energy: 0.6147790554126729
Energy: 0.6216863642609115
Energy: 0.5903565842981753
Energy: 0.5723411576760319
Energy: 0.5527772419835194
Energy: 0.5836586713919605
Energy: 0.5186247197673287
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Energy: 0.5822901681422027
Energy: 0.5528215217922595
Energy: 0.5560214209153588
Energy: 0.537578780966867
Energy: 0.6096885372713492
Energy: 0.5555194054276902
Energy: 0.5685377839505313
Energy: 0.5199473767507933
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Energy: 0.4525825844079581
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Energy: 0.5475127274405291
Energy: 0.5329386638029074
Energy: 0.5490462513282193
Energy: 0.5590260643812935
Energy: 0.5139502016057887
Energy: 0.657153459853613
Energy: 0.6434046821227951
Energy: 0.5433363935576304
Energy: 0.458056297446866
Energy: 0.5414401987142411
Energy: 0.6544943685388025
Energy: 0.6397083326919162
Energy: 0.5496206749023073
Energy: 0.5240134617544999
Energy: 0.5655412611504103
Energy: 0.5898683305618128
Energy: 0.6152647189328054
Energy: 0.47211369791620317
Energy: 0.4546498341891261
Energy: 0.5432989560627915
Energy: 0.5919035728771026
Energy: 0.6154023838779996
Energy: 0.5108685996357963
Energy: 0.5532248843482691
Energy: 0.6448001315997753
Energy: 0.5861448080669948
Energy: 0.6592145488994336
Energy: 0.45333756772050976
Energy: 0.4553409415785261
Energy: 0.6481535681991818
Energy: 0.5842053803599296
Energy: 0.655082825231273
Energy: 0.6092264887656371
Energy: 0.5851995141561507
Energy: 0.6144034038057983
Energy: 0.5845183741764968
Energy: 0.5848649405752283
Energy: 0.580994937846869
Energy: 0.5856640461228555
Energy: 0.6111333537407582
Energy: 0.6111699991210501
Energy: 0.6081189202643068
Energy: 0.4984550314129669
Energy: 0.6218346447017106
Energy: 0.5847143047289797
Energy: 0.6197170120601109
Energy: 0.4539548504792366
Energy: 0.453082312071782
Energy: 0.5849613619321865
Energy: 0.6150677354997027
Energy: 0.6197791707500556
Energy: 0.453703092996491
Energy: 0.5104485753657185
Energy: 0.616228866208174
Energy: 0.5239697528814808
Energy: 0.470370166825341
Energy: 0.4530293794079296
Energy: 0.4728279019471997
Energy: 0.59496083057298
Energy: 0.5247715215529921
Energy: 0.4716317720970589
Energy: 0.5489244540125189
Energy: 0.4860424433648061
Energy: 0.5223361688174902
Energy: 0.6257462710610175
Energy: 0.4699289800354557
Energy: 0.5155278790892432
Energy: 0.47149751792892225
Energy: 0.5218125791495196
Energy: 0.523024975565483
Energy: 0.5068309053399543
Energy: 0.5402343776936356
Energy: 0.6128795105124939
Energy: 0.5585747495634505
Energy: 0.6405851925647615
Energy: 0.5727059712309731
Energy: 0.45362067474946005
Energy: 0.617801530154885
Energy: 0.5866222331293723
Energy: 0.6395332213451138
Energy: 0.545577182303308
Energy: 0.5280586066046992
Energy: 0.615726437613673
Energy: 0.6207084996358218
Energy: 0.6209134793562431
Energy: 0.5505808616973283
Energy: 0.6040206698196229
Energy: 0.6156899771065861
Energy: 0.6184453596680798
Energy: 0.6443895879132936
Energy: 0.5835160682837492
Energy: 0.5968431996170253
Energy: 0.6545009420871459
Energy: 0.6226040763232186
Energy: 0.6291968622403803
Energy: 0.5507286677958281
Energy: 0.5936564793448016
Energy: 0.6520201538829348
Energy: 0.6603484565437215
Energy: 0.505433104984697
Energy: 0.504146823004718
Energy: 0.5239587094759378
Energy: 0.6244630828393923
Energy: 0.6175132076722644
Energy: 0.6200753644649283
Energy: 0.6002044912103585
Energy: 0.6175805401115849
Energy: 0.6167143366651833
Energy: 0.5879421784236247
Energy: 0.541758492711187
Energy: 0.5687447615389074
Energy: 0.6207995786299021
Energy: 0.6560597245866875
Energy: 0.5651739083967413
Energy: 0.5001918569345162
Energy: 0.6494173517413399
Energy: 0.648072076270112
Energy: 0.6520182942098487
Energy: 0.5608926569586008
Energy: 0.5011139054905237
Energy: 0.6124954552289456
Energy: 0.5872912501037177
Energy: 0.5273721771195581
Energy: 0.5132537163528326
Energy: 0.5465574050605514
Energy: 0.558775319112094
Energy: 0.529653541004662
Energy: 0.5425295127165862
Energy: 0.5697414112746919
Energy: 0.5460095112406229
Energy: 0.5348746381217405
Energy: 0.5322703993803223
Energy: 0.56001540502264
Energy: 0.5592134113795706
Energy: 0.5295390747374837
Energy: 0.5298198874153688
Energy: 0.5308404480986129
Energy: 0.4993733284571213
Energy: 0.5109436946572559
Energy: 0.510999165160325
Energy: 0.5430120317175529
Energy: 0.5325237832062297
Energy: 0.6079208966081896
Energy: 0.5498758085402121
Energy: 0.5518474001054096
Energy: 0.5940354461727352
Energy: 0.588869542365866
Energy: 0.5617370957993827
Energy: 0.4909844696077179
Energy: 0.5128956979979072
Energy: 0.6652723703123964
Energy: 0.5909842717311857
Energy: 0.600579047152038
Energy: 0.5844661340443608
Energy: 0.6005221825077414
Energy: 0.6189121439319232
Energy: 0.6156588735122805
Energy: 0.5606979439863129
Energy: 0.6015758092432858
Energy: 0.5617800952158322
Energy: 0.6158832931422589
Energy: 0.6154036012015047
Energy: 0.5965929842180208
Energy: 0.4898781920595029
Energy: 0.6054663124674201
Energy: 0.5572130800155709
Energy: 0.6675371157361037
Energy: 0.48948973400219203
Energy: 0.4901908213369409
Energy: 0.607108588581635
Energy: 0.5566334603665073
Energy: 0.5846012136760054
Energy: 0.586373438960892
Energy: 0.5565188813776064
Energy: 0.59208697076656
Energy: 0.5563520259072328
Energy: 0.5664660443876932
Energy: 0.5696288094319144
Energy: 0.5567454824491733
Energy: 0.5568128986205861
Energy: 0.5555553604818073
Energy: 0.5876193514488398

minimum gb energy = 0.4525825844079581 eV
minimum distance =  2.57694452958502 Angstroms
sigma value = 75


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

Energy: 1.3128238402205876
Energy: 0.6364513096699147
Energy: 0.5475018031265927
Energy: 0.5531470098312734
Energy: 0.6303247893717993
Energy: 0.5539352592750584
Energy: 0.6331610997704676
Energy: 0.5480895168526494
Energy: 0.5540103681218838
Energy: 0.639961837598408
Energy: 0.5515402274658824
Energy: 0.5836714563429233
Energy: 0.5456125767434272
Energy: 0.5545160524112999
Energy: 0.5633978509508427
Energy: 0.5855935277849129
Energy: 0.5623597541701308
Energy: 0.5560955861937839
Energy: 0.557771907330229
Energy: 0.6010121566422022
Energy: 0.5930594674269809
Energy: 0.7063406573915213
Energy: 0.5627596887665265
Energy: 0.5628116347605064
Energy: 0.5470743413146713
Energy: 0.5855181739752516
Energy: 0.6973483502998234
Energy: 0.5897232065673645
Energy: 0.6088614067957844
Energy: 0.5483998468127106
Energy: 0.5936191698348543
Energy: 0.5757901082274404
Energy: 0.6001150643436232
Energy: 0.5723255944765336
Energy: 0.5500822791228633
Energy: 0.5813620155695122
Energy: 0.5791787799959975
Energy: 0.5822703601918817
Energy: 0.571058739834523
Energy: 0.5488647294624195
Energy: 0.5603695436464198
Energy: 0.5749844175123426
Energy: 0.6489798512256924
Energy: 0.5879748934794494
Energy: 0.5560325460241903
Energy: 0.5550436625106947
Energy: 0.5749606423410383
Energy: 0.6434618617303812
Energy: 0.5625798253219783
Energy: 0.564191989998763
Energy: 0.6475108406761156
Energy: 0.5728758239712742
Energy: 0.6523303472504479
Energy: 0.5549166929376796
Energy: 0.5633530395255062
Energy: 0.6392388810493274
Energy: 0.5559271366823854
Energy: 0.5497766746301544
Energy: 0.5792015400985175
Energy: 0.5760814137038524
Energy: 0.5585760844462502
Energy: 0.5746550914839788
Energy: 0.6052479125961141
Energy: 0.5891458751298921
Energy: 0.5639311298548316
Energy: 0.5641758510984793
Energy: 0.5655580917815868
Energy: 0.561857087723131
Energy: 0.5469875121813746
Energy: 0.5723057445600047
Energy: 0.5495582922258762
Energy: 0.5758068630082033
Energy: 0.706513689142007
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Energy: 0.6109524060886925
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Energy: 0.6167291575095489
Energy: 0.7066078092188454
Energy: 0.6955227775237158
Energy: 0.6158655060324963
Energy: 0.5488153456569349
Energy: 0.571074984764339
Energy: 0.5789778953005591
Energy: 0.5659574684919358
Energy: 0.5628163190568009
Energy: 0.5714005300079834
Energy: 0.5932718518277205
Energy: 0.6020206956485653
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Energy: 0.5596155930407654
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Energy: 0.5667765547331372
Energy: 0.6607193079713415
Energy: 0.5961125297247547
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Energy: 0.5571080406410138
Energy: 0.5488990751017256
Energy: 0.657626213030002
Energy: 0.5693263682094181
Energy: 0.5695216865398341
Energy: 0.5690570272706826
Energy: 0.5714001009764017
Energy: 0.565813245810996
Energy: 0.5638269145207804
Energy: 0.5758341523729972
Energy: 0.5679040559727799
Energy: 0.5730494376697454
Energy: 0.5528185301230049
Energy: 0.5774905396578383
Energy: 0.5929447999946629
Energy: 0.5910306518054727
Energy: 0.5771396180590488
Energy: 0.5687916574104703
Energy: 0.5849402212980559
Energy: 0.5676262541002988
Energy: 0.5513161175129899
Energy: 0.6044379125063791
Energy: 0.5551600000641382
Energy: 0.5910495012037856
Energy: 0.6087290286601558
Energy: 0.5504204697868322
Energy: 0.6233534809887965
Energy: 0.5998819591993912
Energy: 0.6509126780471852
Energy: 0.6140230070303855
Energy: 0.5498426994983948
Energy: 0.6086082820929509
Energy: 0.5580759894474047
Energy: 0.6324857800692364
Energy: 0.5755984080682988
Energy: 0.5906942813848248
Energy: 0.5881332221196732
Energy: 0.581781437891682
Energy: 0.5759103353003435
Energy: 0.5721873895941989
Energy: 0.569224621345729
Energy: 0.5686419897097816
Energy: 0.5607279696699504
Energy: 0.5766639033073087
Energy: 0.5986265504195865
Energy: 0.6540447183141598
Energy: 0.5742108705842
Energy: 0.5825753420092185
Energy: 0.6535659799459164
Energy: 0.5604287397029433
Energy: 0.6503919594597489
Energy: 0.5769693628765743
Energy: 0.574561256027457
Energy: 0.6559257092492999
Energy: 0.5775145551138633
Energy: 0.569384096206669
Energy: 0.5646847566872711
Energy: 0.5728925676165353
Energy: 0.5765412871275625
Energy: 0.5716640703139955
Energy: 0.5782213709148813
Energy: 0.5564449492548471
Energy: 0.5737330890422212
Energy: 0.5566384752733711
Energy: 0.5696101154234188
Energy: 0.5738878290831053
Energy: 0.5920504363203385
Energy: 0.5968973078792638
Energy: 0.545294699229826
Energy: 0.5921207850390376
Energy: 0.577435737424044
Energy: 0.5660304343945722
Energy: 0.5619270587292196
Energy: 0.5451210295111859
Energy: 0.6295096508814059
Energy: 0.6314602549403309
Energy: 0.6092153173570107
Energy: 0.627076724602063
Energy: 0.5454403033817896
Energy: 0.6377070020986012
Energy: 0.6285042603007147
Energy: 0.6103824203379735
Energy: 0.6069925508212473
Energy: 0.5456815835799774
Energy: 0.5707752332395931
Energy: 0.5665812629971688
Energy: 0.5927880095487431
Energy: 0.6038900410023912
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minimum gb energy = 0.5421025245270262 eV
minimum distance =  2.61771212801119 Angstroms
sigma value = 105


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

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Energy: 0.6027151644255145
Energy: 0.6442507412505778
Energy: 0.6079327672069049
Energy: 0.5906997602705971
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Energy: 0.5902559222726722
Energy: 0.6471654723762669
Energy: 0.6260306867348597
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Energy: 0.5990163430336556
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Energy: 0.6122209263315266
Energy: 0.6176690849962352
Energy: 0.6132982813341568
Energy: 0.6048613409337582
Energy: 0.6372752011823588
Energy: 0.6172894403905131
Energy: 0.5981818660111026
Energy: 0.6145943395957972
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Energy: 0.6181726741247323
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Energy: 0.5941333149376525
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Energy: 0.6253864813016935
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Energy: 0.6262183658521294
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Energy: 0.627851289263218
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Energy: 0.5838033883925556
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Energy: 0.6184898803031335
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Energy: 0.5844274790253614
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Energy: 0.6323030016973734
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Energy: 0.6002192981277567
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Energy: 0.5987043155714961
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Energy: 0.6331243491312581
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Energy: 0.586741420400816
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Energy: 0.6121717579775819
Energy: 0.6032075084981475
Energy: 0.6067493457504878
Energy: 0.5867390579943543
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Energy: 0.595104478984175
Energy: 0.6252400452779734
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Energy: 0.6207330320645427
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Energy: 0.5992081981548846
Energy: 0.5889110834606751
Energy: 0.6144588821027704
Energy: 0.6223701673855787
Energy: 0.6091154349639998
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Energy: 0.6088821567673286
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Energy: 0.5979493549860144
Energy: 0.6042823054554589
Energy: 0.6198584771392787
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Energy: 0.5954364069530166
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Energy: 0.5985442250461172
Energy: 0.598304851673248
Energy: 0.607932614069044
Energy: 0.6743739969618043
Energy: 0.6046224936783361
Energy: 0.5996080549807463
Energy: 0.6132201782088572
Energy: 0.6186836720576494
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Energy: 0.5991493302155497
Energy: 0.6022520420839417
Energy: 0.6129520502522625
Energy: 0.6177727724423495
Energy: 0.6013815623663281
Energy: 0.6115739749217284
Energy: 0.6131682677628231
Energy: 0.5925665100957901
Energy: 0.585598985500368
Energy: 0.5880309670605397
Energy: 0.6120698708928215
Energy: 0.6132723843790625
Energy: 0.5922859261441955
Energy: 0.6510286824479317
Energy: 0.6131294221819791
Energy: 0.6133949915227844
Energy: 0.6175702459678298
Energy: 0.6007480463083732
Energy: 0.6297203947735294
Energy: 0.5783323650961646
Energy: 0.6218394667216882
Energy: 0.6173256956957677
Energy: 0.6011466904933414
Energy: 0.6268537381555007
Energy: 0.6477697108895977
Energy: 0.6076113655081885
Energy: 0.6125405201145555
Energy: 0.6006120733612077
Energy: 0.6458889802622935
Energy: 0.6160573223831441
Energy: 0.6141546083714545
Energy: 0.6132755853159618
Energy: 0.6025913441101569
Energy: 0.6459610348460705
Energy: 0.617411484583719
Energy: 0.6203849125689189
Energy: 0.6288872697671021
Energy: 0.6161721730262142
Energy: 0.6127971867177684
Energy: 0.609222637788743
Energy: 0.6187910585367473
Energy: 0.5908265241695048
Energy: 0.6154650326252012
Energy: 0.6129151085672849
Energy: 0.6185668930604478
Energy: 0.6316738166021546
Energy: 0.6318163178192183
Energy: 0.609041254673207
Energy: 0.6134541766597742
Energy: 0.6068826995299856
Energy: 0.6258772646544944
Energy: 0.6245843591588269
Energy: 0.6327025442717185
Energy: 0.5958511688579103
Energy: 0.636475599705949
Energy: 0.598022819313486
Energy: 0.6212716923806275
Energy: 0.6068494553212648
Energy: 0.5822800432162034
Energy: 0.609031927934891
Energy: 0.5738380102232447
Energy: 0.618928735411633
Energy: 0.6152255882539271
Energy: 0.6047326124003152
Energy: 0.6075443301293227
Energy: 0.5942317733168756
Energy: 0.6187395206168438
Energy: 0.6073881992539366
Energy: 0.5781403344600465
Energy: 0.6138153942474369
Energy: 0.5967640587147698
Energy: 0.600059407378281
Energy: 0.6180834796908498
Energy: 0.6029181371391533
Energy: 0.6318852696896532
Energy: 0.6158417861108929
Energy: 0.609029725722961
Energy: 0.613126391887529
Energy: 0.6316503843205352
Energy: 0.5913719923157671
Energy: 0.6154182062351716
Energy: 0.6207388623401245
Energy: 0.6128729295707589
Energy: 0.6476645605035182
Energy: 0.6187757481299252
Energy: 0.5876822282209897
Energy: 0.5887628184621228
Energy: 0.5771594306946259
Energy: 0.6077975081557897
Energy: 0.5744261493988253
Energy: 0.5827525926165776
Energy: 0.5783579051111765
Energy: 0.578502201131449
Energy: 0.6011895989656788
Energy: 0.5809339821327498
Energy: 0.5781491961405557
Energy: 0.577774084404287
Energy: 0.578595743289917
Energy: 0.5774406347845767
Energy: 0.5763585823463008
Energy: 0.5784526093398513
Energy: 0.5777328394233016
Energy: 0.5783119444070169
Energy: 0.6221878672228671

minimum gb energy = 0.5676194058742899 eV
minimum distance =  2.6127895318876 Angstroms
sigma value = 165


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

Energy: 0.8049921693557276
Energy: 0.5554266053813505
Energy: 0.5621850336086578
Energy: 0.5816474572178135
Energy: 0.5552076511697331
Energy: 0.592588802635459
Energy: 0.5621503406084898
Energy: 0.5626721951275554
Energy: 0.5819141923272267
Energy: 0.5549256101341989
Energy: 0.597053730657829
Energy: 0.5809335753616528
Energy: 0.578717390429719
Energy: 0.5771481432746193
Energy: 0.5801062716064133
Energy: 0.5806778447085108
Energy: 0.5803412987274827
Energy: 0.580730044682467
Energy: 0.578371843266874
Energy: 0.6005640542476253
Energy: 0.5807471145602189
Energy: 0.6004223967997291
Energy: 0.5639630857567436
Energy: 0.5856468855663526
Energy: 0.5908520325657736
Energy: 0.5806979129759677
Energy: 0.5833901951539937
Energy: 0.5797531958555338
Energy: 0.5852661090103474
Energy: 0.5925058089691944
Energy: 0.5606231700435633
Energy: 0.5785405963531242
Energy: 0.5810951409485725
Energy: 0.5842427071256546
Energy: 0.5910582268510678
Energy: 0.6003790374165507
Energy: 0.5793946707578745
Energy: 0.579625094470488
Energy: 0.5840964888497346
Energy: 0.5922783833050028
Energy: 0.5836340180937515
Energy: 0.5824615576809968
Energy: 0.5776031987637004
Energy: 0.5774592889137447
Energy: 0.5815792033300273
Energy: 0.5811841839493274
Energy: 0.5613280149780147
Energy: 0.5774087482103167
Energy: 0.5784483206190463
Energy: 0.5820228837386561
Energy: 0.6144064664244059
Energy: 0.5777258292704429
Energy: 0.5626267577171096
Energy: 0.5575753798697062
Energy: 0.5647748196346083
Energy: 0.6144249893956878
Energy: 0.5775315864073032
Energy: 0.5635980803583076
Energy: 0.5557372762203717
Energy: 0.5640209546756962
Energy: 0.5802948604590209
Energy: 0.5799871729138276
Energy: 0.5816417461904488
Energy: 0.5617698095150622
Energy: 0.5815113520676249
Energy: 0.6017063318880427
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Energy: 0.581370026256037
Energy: 0.5632931133898762
Energy: 0.581817625002555
Energy: 0.592333421190256
Energy: 0.5769053954788829
Energy: 0.5808107311800689
Energy: 0.5794790123428014
Energy: 0.5843131237174775
Energy: 0.5556515373006581
Energy: 0.5771343251006218
Energy: 0.5807994755289851
Energy: 0.5790561426167019
Energy: 0.5606697861433689
Energy: 0.5550776564693458
Energy: 0.5830390701747804
Energy: 0.5620781217036407
Energy: 0.5817512370884154
Energy: 0.5794695495198028
Energy: 0.555169073417566
Energy: 0.5636954624612621
Energy: 0.5623462466849302
Energy: 0.5777768271028461
Energy: 0.5887515705558575
Energy: 0.6010870955747843
Energy: 0.5826671880224118
Energy: 0.5788191582481815
Energy: 0.580697935064318
Energy: 0.580349236291185
Energy: 0.5999247870212658
Energy: 0.5817366950775626
Energy: 0.5784019713633906
Energy: 0.5813006256170805
Energy: 0.5807557350511107
Energy: 0.5837029067271968
Energy: 0.5799188244910044
Energy: 0.5804688208172811
Energy: 0.5819084082383019
Energy: 0.6025094591748614
Energy: 0.580534415277499
Energy: 0.5793310502298749
Energy: 0.5787911526060617
Energy: 0.5993629466543315
Energy: 0.5913473506124954
Energy: 0.5787473689785838
Energy: 0.5792449812149163
Energy: 0.5803517435116091
Energy: 0.5793474948971472
Energy: 0.5945395897785729
Energy: 0.5791152257234561
Energy: 0.5904238694744256
Energy: 0.5799019652791289
Energy: 0.5789222096722769
Energy: 0.5883359961721403
Energy: 0.5796044163890487
Energy: 0.5757750265087461
Energy: 0.581183593573396
Energy: 0.5807586885416733
Energy: 0.5640433753451981
Energy: 0.5845828686083339
Energy: 0.5827672651075604
Energy: 0.5811221533882553
Energy: 0.5815287370444097
Energy: 0.5659916486348687
Energy: 0.5993431632920279
Energy: 0.581664786882916
Energy: 0.5796454214082515
Energy: 0.5598302291119197
Energy: 0.5782281480502321
Energy: 0.5996621885234181
Energy: 0.5806531220317618
Energy: 0.5629729304448259
Energy: 0.5594567367866671
Energy: 0.5769490270215419
Energy: 0.5572643864871036
Energy: 0.5880023707622573
Energy: 0.5829065337990758
Energy: 0.5637313632388956
Energy: 0.5816340269177579
Energy: 0.5878853215679046
Energy: 0.5782235027250471
Energy: 0.583079211035273
Energy: 0.5645566257530786
Energy: 0.5820149100634535

minimum gb energy = 0.5549256101341989 eV
minimum distance =  2.64319399160653 Angstroms
sigma value = 41


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

Energy: 0.7044178279993759
Energy: 0.5189375332057053
Energy: 0.5191837301758775
Energy: 0.5244769866403882
Energy: 0.49763125393549235
Energy: 0.5119093320450679
Energy: 0.5185513818206546
Energy: 0.5240268062734598
Energy: 0.5379915518585104
Energy: 0.5387388333000325
Energy: 0.5501733360122734
Energy: 0.547542615443022
Energy: 0.5303310091961428
Energy: 0.5274093018909755
Energy: 0.5323844175583772
Energy: 0.5415484666903176
Energy: 0.5044895772970472
Energy: 0.5289091446718468
Energy: 0.5286409819443185
Energy: 0.5709024791902454
Energy: 0.5183826614445571
Energy: 0.5518432918314795
Energy: 0.5207881542129009
Energy: 0.5241883620970632
Energy: 0.5327084773044287
Energy: 0.5221631192424318
Energy: 0.5188965814963715
Energy: 0.5664518213226515
Energy: 0.5548096030116337
Energy: 0.5358463970445345
Energy: 0.5453004135981927
Energy: 0.5453011576129875
Energy: 0.5513760760918088
Energy: 0.5315044668819844
Energy: 0.5305194561099879
Energy: 0.542459476214768
Energy: 0.5392711986576137
Energy: 0.5211223589211186
Energy: 0.5343548404021914
Energy: 0.5306305546951564
Energy: 0.5518267675879387
Energy: 0.5470038503286726
Energy: 0.5478742845946374
Energy: 0.5359481364271829
Energy: 0.5381141431577205
Energy: 0.5246851886086648
Energy: 0.5180954615812552
Energy: 0.5429336019564798
Energy: 0.5445474394516118
Energy: 0.5634429955670154
Energy: 0.5387114048816186
Energy: 0.545823095489862
Energy: 0.5456659733675787
Energy: 0.5153805791914865
Energy: 0.548278553306214
Energy: 0.5662007406025045
Energy: 0.5344207600175274
Energy: 0.545672158698525
Energy: 0.5333984731606544
Energy: 0.5431545759306051
Energy: 0.5499302239011343
Energy: 0.5523338575239234
Energy: 0.5501896812608317
Energy: 0.5293579493325236
Energy: 0.5462944557109032
Energy: 0.5635425242325836
Energy: 0.5390469471877088
Energy: 0.5495397368435361
Energy: 0.5397169327090948
Energy: 0.5477116557220133
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Energy: 0.5410308156778287
Energy: 0.5436021744301731
Energy: 0.5404888435197842
Energy: 0.530557276115349
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Energy: 0.5410085732137062
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Energy: 0.546167916512562
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Energy: 0.5351291394809309
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Energy: 0.5462180019269036
Energy: 0.535090420571173
Energy: 0.5325742892547459
Energy: 0.547275451421263
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Energy: 0.5136200280335879
Energy: 0.533756952055463
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Energy: 0.5305072857326207
Energy: 0.5292563384127886
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Energy: 0.5299803675608113
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Energy: 0.5288060160517248
Energy: 0.5325222456643437
Energy: 0.5392944784476092
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Energy: 0.5154256244420097
Energy: 0.5462741348745753
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Energy: 0.536256990338358
Energy: 0.5131647236319669
Energy: 0.522092892785219
Energy: 0.5459767065684468
Energy: 0.5303373488608312
Energy: 0.5338771977000978
Energy: 0.5196965014582959
Energy: 0.5281179045416265
Energy: 0.5459722041795266
Energy: 0.5349808021097109
Energy: 0.5326697817900701
Energy: 0.5215594385641085
Energy: 0.5374276215782894
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Energy: 0.5319500178333839
Energy: 0.5374942004296416
Energy: 0.5278212752107487
Energy: 0.5370108796934829
Energy: 0.5417137172643667
Energy: 0.5302254742778046
Energy: 0.536707250017369
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Energy: 0.5238526825621498
Energy: 0.5158633071551966
Energy: 0.5378154270277437
Energy: 0.5397102009980952
Energy: 0.5494746788555618
Energy: 0.5433077936105087
Energy: 0.5269388340946358
Energy: 0.5375948340495471
Energy: 0.539065694632942
Energy: 0.5386372408236159
Energy: 0.5285538665415555
Energy: 0.5282849395731234
Energy: 0.5311104145061997
Energy: 0.5350168679649551
Energy: 0.530730677307038
Energy: 0.5457993311202356
Energy: 0.5231423197849621
Energy: 0.5489430024001251
Energy: 0.5348258086101249
Energy: 0.5302828083709507
Energy: 0.546673056898245
Energy: 0.5388683960375438
Energy: 0.5286155772478084
Energy: 0.5321995750846897
Energy: 0.5322934153254308
Energy: 0.5294748637750539
Energy: 0.550889644739184
Energy: 0.5421230704350833
Energy: 0.5306245145975633
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Energy: 0.5502345069432365
Energy: 0.5272616826679835
Energy: 0.5476909153125654
Energy: 0.5810162511108222
Energy: 0.5678580640268038
Energy: 0.524285172067482
Energy: 0.5420957319462305
Energy: 0.5496505338100789
Energy: 0.5528249085641965
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Energy: 0.5453278606494729
Energy: 0.5505124678448016
Energy: 0.5410672234423095
Energy: 0.5478441784193727
Energy: 0.543946544999034
Energy: 0.5331716854654106
Energy: 0.5658230177114267
Energy: 0.5432470271526963
Energy: 0.5364613546148685
Energy: 0.558590979435108
Energy: 0.5324669812155727
Energy: 0.5465379966583073
Energy: 0.5405994765082686
Energy: 0.5170293343629011
Energy: 0.541334151833602
Energy: 0.5528967852634984
Energy: 0.5471152008704667
Energy: 0.5315868659357792
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Energy: 0.5618687909500991
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Energy: 0.5482328048968532
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Energy: 0.5299777702429933
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Energy: 0.546612934466975
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Energy: 0.5390736190034743
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Energy: 0.5303878010921178
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Energy: 0.5319174066558351
Energy: 0.5478951428832795
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Energy: 0.5289848355781702
Energy: 0.5430890801013996
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Energy: 0.504132536625527
Energy: 0.5356178219537159
Energy: 0.5211360178917174
Energy: 0.5586878769419631
Energy: 0.5162172716639994
Energy: 0.5326106097146579
Energy: 0.5049471890633205
Energy: 0.5314853177626143
Energy: 0.5400813368464394
Energy: 0.5236636169251321
Energy: 0.5089474060447844
Energy: 0.5215729364434143
Energy: 0.5123964509379808
Energy: 0.5389321072324268
Energy: 0.5306143756659204
Energy: 0.536929784445915
Energy: 0.5265607445437731
Energy: 0.517670863842052
Energy: 0.5726656297597749
Energy: 0.5267188683076179
Energy: 0.5158075119892055
Energy: 0.5045598894001798
Energy: 0.5272146218557643
Energy: 0.5363427014335834
Energy: 0.529071313000145
Energy: 0.5142028334897402
Energy: 0.5223345835652052
Energy: 0.5350018711836266
Energy: 0.5105393123733843
Energy: 0.521114760080375
Energy: 0.542624491755455
Energy: 0.5179101666884675
Energy: 0.541396913220038
Energy: 0.5099521668928947
Energy: 0.5273226802050301
Energy: 0.5204253810926402
Energy: 0.5316620203349353

minimum gb energy = 0.49763125393549235 eV
minimum distance =  2.6650203726237 Angstroms
sigma value = 185


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

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Energy: 0.4390540015683061
Energy: 0.42056063741935407
Energy: 0.3784578229435658
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Energy: 0.33691222929776504
Energy: 0.3482395741747567
Energy: 0.2922030936173211
Energy: 0.31122396402707264
Energy: 0.36277729455210445
Energy: 0.3742209677722103
Energy: 0.33043613586299775
Energy: 0.30478260728016304
Energy: 0.3129809204598663
Energy: 0.36736699904037606
Energy: 0.3404645025387
Energy: 0.3810811592439677
Energy: 0.3588071667936667
Energy: 0.3530352550356508
Energy: 0.3506964950021639
Energy: 0.34478100769549924
Energy: 0.37329475405269386
Energy: 0.3280328813423079
Energy: 0.3543984894550119
Energy: 0.35712754918175293
Energy: 0.3705939223015388
Energy: 0.364463077457503
Energy: 0.44147074380090684
Energy: 0.3480009510279102
Energy: 0.3915670188741115
Energy: 0.3382994739126414
Energy: 0.32791996784217536
Energy: 0.28361654831346106
Energy: 0.37760645175671903
Energy: 0.3730851171580426
Energy: 0.35928436978400485
Energy: 0.4396260636197199

minimum gb energy = 0.2510120446163109 eV
minimum distance =  2.66378849588349 Angstroms
sigma value = 33


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

Energy: 0.48938483928277005
Energy: 0.4682662078864931
Energy: 0.48790798394289664
Energy: 0.488622554333148
Energy: 0.4622634322807427
Energy: 0.4630718397283246
Energy: 0.47830382352911627
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Energy: 0.4948593608903403
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Energy: 0.4778681289373004
Energy: 0.4676709468792039
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Energy: 0.46315104422163705
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Energy: 0.4634198894652536
Energy: 0.4645958861202942
Energy: 0.46600271868563514
Energy: 0.47676941399396205
Energy: 0.4795666088748454
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Energy: 0.4796759991500304
Energy: 0.49134032886776347
Energy: 0.47800452814246347
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Energy: 0.46521251117371826
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Energy: 0.4772545589460171
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Energy: 0.4779246723779317
Energy: 0.4869375080530188
Energy: 0.4680708706401625
Energy: 0.4620463970411374

minimum gb energy = 0.46005896821347114 eV
minimum distance =  2.69286630762971 Angstroms
sigma value = 219


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

Energy: 0.9425961130852064
Energy: 0.6100521604670227
Energy: 0.6214263372555969
Energy: 0.6150122147555113
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Energy: 0.6161464032266564
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Energy: 0.621678755452515
Energy: 0.6299933301277385
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Energy: 0.6181905370071551
Energy: 0.6212203520654439
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Energy: 0.6155385787939955
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Energy: 0.6299419036772892
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Energy: 0.6199040404689626
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Energy: 0.6317503802332849
Energy: 0.6138329058545564
Energy: 0.6208433409148503
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Energy: 0.6224920606434936
Energy: 0.6107652365009427
Energy: 0.6306089164841061
Energy: 0.6143397200044493
Energy: 0.6098967804834906
Energy: 0.612272638565623
Energy: 0.6308860060577849
Energy: 0.6279079913779093
Energy: 0.6170055880915699
Energy: 0.6099903064405464
Energy: 0.6134788567718606
Energy: 0.6158332918858419
Energy: 0.6098894852571723
Energy: 0.6122861185475107
Energy: 0.6099617607101104
Energy: 0.6135341513727006
Energy: 0.6197507087243642
Energy: 0.6105192117059048
Energy: 0.6049086823236426
Energy: 0.6159817105074389
Energy: 0.6187759077070517
Energy: 0.6186557751349514
Energy: 0.6157325318893477
Energy: 0.6063654439086792
Energy: 0.6163696349280853
Energy: 0.6204905234884434
Energy: 0.6180282250198409
Energy: 0.6130710151472222

minimum gb energy = 0.604728704015849 eV
minimum distance =  2.64756581466797 Angstroms
sigma value = 15


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

Energy: 1.1027534346806476
Energy: 0.6883859992145012
Energy: 0.6971624000359131
Energy: 0.7047266731009342
Energy: 0.6949493522617699
Energy: 0.6815254717039028
Energy: 0.6916077424358669
Energy: 0.7020372400516802
Energy: 0.7040117626899991
Energy: 0.6927641350265652
Energy: 0.7243129574253497
Energy: 0.6895377375424998
Energy: 0.7060017045366067
Energy: 0.7039414384569445
Energy: 0.6906965717244642
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Energy: 0.6914508479989903
Energy: 0.7047818054361861
Energy: 0.7055445660545996
Energy: 0.6959865050971862
Energy: 0.7091115186309834
Energy: 0.6939767596974289
Energy: 0.7009288804633687
Energy: 0.7087283893000715
Energy: 0.6950112545081514
Energy: 0.7116819217828774
Energy: 0.6870815434563406
Energy: 0.7022186385979872
Energy: 0.7169418987803619
Energy: 0.6997341420918265
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minimum gb energy = 0.6802591614117335 eV
minimum distance =  2.61854163740299 Angstroms
sigma value = 293


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

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Energy: 0.682674757128869
Energy: 0.6954668726051652
Energy: 0.6909015067610597
Energy: 0.6825969161371443
Energy: 0.7029868334031875
Energy: 0.6839116525338553
Energy: 0.6807898773237633
Energy: 0.6920432833140411
Energy: 0.6828333583531225
Energy: 0.6813796028826132
Energy: 0.6782648247075469
Energy: 0.6789956876307921
Energy: 0.7649290594357324
Energy: 0.7028448298810352
Energy: 0.6944466173606149
Energy: 0.6789418858954532
Energy: 0.6731224950693677
Energy: 0.6913861640383764
Energy: 0.7072836309111122
Energy: 0.7015267303095439
Energy: 0.6787267464262488
Energy: 0.6787493679932075
Energy: 0.6910971111025791
Energy: 0.6980585204620757
Energy: 0.6771417514364476
Energy: 0.6753166284036309
Energy: 0.6798038143509898
Energy: 0.684652680885305
Energy: 0.7133678359013024
Energy: 0.6770717964168269
Energy: 0.6753133360486984
Energy: 0.6811059162908232
Energy: 0.6804113146227984
Energy: 0.6831912354963712
Energy: 0.6747181411349505
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Energy: 0.673187049621454
Energy: 0.6722519975802012
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Energy: 0.6689266668721114
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Energy: 0.6661236097853691
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Energy: 0.6925908075419137
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Energy: 0.6827148945028397
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Energy: 0.6777582525614121
Energy: 0.6816057287672438
Energy: 0.6984346952619527
Energy: 0.6738045618666593
Energy: 0.6764088318254654
Energy: 0.6947730567040693
Energy: 0.6812316897607862
Energy: 0.6731152439032901
Energy: 0.6729652548034317
Energy: 0.6766256656325315
Energy: 0.6910801061077111
Energy: 0.6812523528831023
Energy: 0.6944616613894271
Energy: 0.6735553280257902
Energy: 0.678588920193022
Energy: 0.6753367098683247
Energy: 0.6853428390411032
Energy: 0.6727827286434964
Energy: 0.6856752867238047
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Energy: 0.6738245218785941
Energy: 0.6853164734698471
Energy: 0.6765244982565689
Energy: 0.6906584400450383
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Energy: 0.6793925062103825
Energy: 0.6891269328585037
Energy: 0.6826528379059692
Energy: 0.6914827071627523
Energy: 0.6906003451968099
Energy: 0.6944366031425446
Energy: 0.6898010715576521
Energy: 0.688083517219787
Energy: 0.6936486600442353
Energy: 0.7015578958004015
Energy: 0.7151786383515712
Energy: 0.6910030119328836
Energy: 0.6736144386841758
Energy: 0.7014365875568314
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Energy: 0.6831604284851864
Energy: 0.6891144438013121
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Energy: 0.6752763171882854
Energy: 0.6752967939643229
Energy: 0.6793030992484478
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Energy: 0.6821049340004818
Energy: 0.6747536093477994
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Energy: 0.6782728824756943
Energy: 0.671629521704219
Energy: 0.6827399325245564
Energy: 0.6740760591004334
Energy: 0.694608970026912
Energy: 0.6777035679760746
Energy: 0.6718893745176339
Energy: 0.6784635167756161
Energy: 0.6921504474667992
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Energy: 0.6777294199922302
Energy: 0.6739362267279079
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Energy: 0.6736624988864689
Energy: 0.7008903208162727
Energy: 0.6840175138600705
Energy: 0.6757317675434977
Energy: 0.6934338049534738
Energy: 0.6736825380350593
Energy: 0.7019924606976604
Energy: 0.684934782253026
Energy: 0.6764785414724486
Energy: 0.6960016662962626
Energy: 0.6741132408958802
Energy: 0.6807527190531668
Energy: 0.6929083926715226
Energy: 0.6787297086726589
Energy: 0.6742705835199772
Energy: 0.6723990560640527
Energy: 0.6889202575097827
Energy: 0.6811678693166584
Energy: 0.6953245897305014
Energy: 0.6749711210310078
Energy: 0.7010432974509655
Energy: 0.7126873508107742
Energy: 0.6763405901226053
Energy: 0.6761805112808337
Energy: 0.6921929853750958
Energy: 0.6640134575618873
Energy: 0.7098492058672176
Energy: 0.6760542501249653
Energy: 0.6768202180706764
Energy: 0.6911259330175756
Energy: 0.6634168177774412
Energy: 0.6802624799959829
Energy: 0.6939874091705156
Energy: 0.6764883647630194
Energy: 0.6839638489561759
Energy: 0.6735501419671415
Energy: 0.6792293299292816
Energy: 0.6938371620794022
Energy: 0.6767354887855082
Energy: 0.6853168522424447
Energy: 0.6811473652823854
Energy: 0.6842873927162342
Energy: 0.7001281854726438
Energy: 0.6853622399346384
Energy: 0.6740412364971407
Energy: 0.6774266984453109
Energy: 0.6807250366430166
Energy: 0.6918304735535751
Energy: 0.6819143754649348
Energy: 0.6769196184554307
Energy: 0.6787505662105988
Energy: 0.6792430534660999
Energy: 0.7201264990869619
Energy: 0.6829895571807796
Energy: 0.6812263348744926
Energy: 0.6911166627341742
Energy: 0.6764610756715866
Energy: 0.7200008067993471
Energy: 0.6958764709556546
Energy: 0.6949667036002195
Energy: 0.691606633891483
Energy: 0.6825747783680551
Energy: 0.6760560361984257
Energy: 0.7059799256165558
Energy: 0.6795939302566246
Energy: 0.6912820402154057
Energy: 0.6836518247384789
Energy: 0.6736451282929412
Energy: 0.7073091830246221
Energy: 0.6813944239540809
Energy: 0.6911059065545315
Energy: 0.6602929029376609
Energy: 0.6839659392897934
Energy: 0.6778491997262118
Energy: 0.6725100450907976
Energy: 0.7076265640904097
Energy: 0.6831922435878909
Energy: 0.6831877688079178
Energy: 0.6773385512533043
Energy: 0.672891646580169
Energy: 0.6895502966666964

minimum gb energy = 0.6602929029376609 eV
minimum distance =  2.61678177170868 Angstroms
sigma value = 293


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

Energy: 0.6607003197317547
Energy: 0.6527616825232382
Energy: 0.7070585026871087
Energy: 0.6641670465459297
Energy: 0.6520378767478441
Energy: 0.6594523863394257
Energy: 0.6632880276761047
Energy: 0.7056445317408832
Energy: 0.6637061403705881
Energy: 0.6515592676913242
Energy: 0.654609938846869
Energy: 0.6608701326111622
Energy: 0.6592089563505488
Energy: 0.6578357735175583
Energy: 0.6599999414718672
Energy: 0.7009436571886114
Energy: 0.6606391576179811
Energy: 0.6529645820297253
Energy: 0.6588505535022684
Energy: 0.6603181537407019
Energy: 0.661251431310442
Energy: 0.6599709569166501
Energy: 0.6622095243855919
Energy: 0.6661462553378642
Energy: 0.7058584642704241
Energy: 0.6602911450107285
Energy: 0.6595767151773496
Energy: 0.6607580452508796
Energy: 0.7067643989834234
Energy: 0.7058195127383432
Energy: 0.7074963722209948
Energy: 0.6551570355484185
Energy: 0.6516746352474527
Energy: 0.6594762448274067
Energy: 0.7039987444555851
Energy: 0.7066738763646226
Energy: 0.6546982327992026
Energy: 0.6515089538270018
Energy: 0.6602437671419683
Energy: 0.6516619177463392
Energy: 0.6607678914933662
Energy: 0.6530219624898292
Energy: 0.6527081259128912
Energy: 0.7062157447439157
Energy: 0.6615302420936378
Energy: 0.6594904369144824
Energy: 0.6522785009117276
Energy: 0.6535634391430383
Energy: 0.6634904638239192
Energy: 0.6606901839434977
Energy: 0.6605857606044444
Energy: 0.7077820692907391
Energy: 0.663975966727907
Energy: 0.6602886282777841
Energy: 0.653672057300539
Energy: 0.6607100347386596
Energy: 0.7047851028440228
Energy: 0.6633952964855057
Energy: 0.662823902018938
Energy: 0.6543631730655767
Energy: 0.6657782075453637
Energy: 0.6520236381912217
Energy: 0.6596493772511444
Energy: 0.6604886590127949
Energy: 0.6672178572881717
Energy: 0.6660465977222023
Energy: 0.6499449926436986
Energy: 0.6600130165286618
Energy: 0.6602989089229636
Energy: 0.6608891043845333
Energy: 0.6603412975500335
Energy: 0.7034413223272598
Energy: 0.6641119559728523
Energy: 0.6540828415034504
Energy: 0.6540106184605841
Energy: 0.6641395353186963
Energy: 0.7028722226711605
Energy: 0.6647066513680676
Energy: 0.6649149519847779
Energy: 0.6558392885768667
Energy: 0.6608719819739716
Energy: 0.6515917104237353
Energy: 0.6583448513597799
Energy: 0.6521336344593799
Energy: 0.702220735241268
Energy: 0.6607202609580465
Energy: 0.659166997239007
Energy: 0.6591697329312738
Energy: 0.6526257644271303
Energy: 0.7066673580093281
Energy: 0.6628304338417554
Energy: 0.663001614718504
Energy: 0.7034583952261404
Energy: 0.707501550119543
Energy: 0.6624968649303672
Energy: 0.6653929744767888
Energy: 0.6648925051762065
Energy: 0.7043755436071828
Energy: 0.6657253063437709
Energy: 0.6600930073777511
Energy: 0.6531171332971522
Energy: 0.6606164263654312
Energy: 0.664281801185739
Energy: 0.6628696761585333
Energy: 0.7066366769640395
Energy: 0.6529282122091633
Energy: 0.6606578147423869
Energy: 0.6502287280691558
Energy: 0.6658003768186757
Energy: 0.7050015512757616
Energy: 0.6602432193154355
Energy: 0.6633379913641836
Energy: 0.706245144695329
Energy: 0.6633458364601137
Energy: 0.6522381177517164
Energy: 0.6602701717813059
Energy: 0.6632643247481548
Energy: 0.707769803759322
Energy: 0.6633665363633061
Energy: 0.6516795764252089
Energy: 0.700980971458628
Energy: 0.6605380155774339
Energy: 0.6586885111626695
Energy: 0.6580611598413596
Energy: 0.6601573784015164
Energy: 0.7015838492664253
Energy: 0.6610766285913307
Energy: 0.6529273661991506
Energy: 0.6590935213064139
Energy: 0.6607134989075054
Energy: 0.6615087719248501
Energy: 0.66113738728784
Energy: 0.6633438378534593
Energy: 0.7089738690023567
Energy: 0.7066662228692934
Energy: 0.6603295061611074
Energy: 0.6609111757912971
Energy: 0.6611001075407678
Energy: 0.70495994321026
Energy: 0.706299899611062
Energy: 0.7069668891459797
Energy: 0.6547972439361547
Energy: 0.6515972355446384
Energy: 0.6591117220831719
Energy: 0.7043161558675802
Energy: 0.705690809112019
Energy: 0.6542639266379302
Energy: 0.6515778459861487
Energy: 0.6600993372143467
Energy: 0.706164380861772
Energy: 0.6606340928272856
Energy: 0.6537804672358518
Energy: 0.6545655148871642
Energy: 0.6697400049169957
Energy: 0.6621037959362411
Energy: 0.6596784865093682
Energy: 0.6527461534852876
Energy: 0.6538874316241104
Energy: 0.6610757771592977
Energy: 0.660507267617685
Energy: 0.6605270833389316
Energy: 0.7061438035287878
Energy: 0.6635889537483731
Energy: 0.6600369004312903
Energy: 0.6529868503515194
Energy: 0.6605805801014331
Energy: 0.7044990414640552
Energy: 0.6635149526353701
Energy: 0.66091170711075
Energy: 0.6541930568188503
Energy: 0.6675414464212059
Energy: 0.6516073603711838
Energy: 0.659658913341626
Energy: 0.6605426708430099
Energy: 0.6674899743940926
Energy: 0.6658603757396372
Energy: 0.6501217344103657
Energy: 0.6600725957433319
Energy: 0.6609197236303661
Energy: 0.66119114421613
Energy: 0.660551058108175
Energy: 0.70320670727796
Energy: 0.6639071363607125
Energy: 0.6533403545399248
Energy: 0.6539788728681358
Energy: 0.6644272699951975
Energy: 0.7027456113144576
Energy: 0.6643178191912046
Energy: 0.6632500879398029
Energy: 0.6558146292301866
Energy: 0.6606904490915474
Energy: 0.6525803686478314
Energy: 0.6590010785561555
Energy: 0.6522686771927662
Energy: 0.7047943763686688
Energy: 0.6602420438918087
Energy: 0.6584475725542693
Energy: 0.6593700384323343
Energy: 0.6527261289564648
Energy: 0.6628158671840102
Energy: 0.6620610960893478
Energy: 0.662304804613773
Energy: 0.7029591012555237
Energy: 0.7079142097745564
Energy: 0.6621522755631492
Energy: 0.665820516881203
Energy: 0.6649885016326657
Energy: 0.7056652466640653
Energy: 0.6646772745234149
Energy: 0.6608058013892115
Energy: 0.653748355375078
Energy: 0.6606659089875219
Energy: 0.6652984292950498
Energy: 0.665557604488697
Energy: 0.7034127455958686
Energy: 0.6528044606315169
Energy: 0.6601596723611749
Energy: 0.6500038522149765
Energy: 0.6653951825843251
Energy: 0.70406564603567

minimum gb energy = 0.6499449926436986 eV
minimum distance =  2.63632131659948 Angstroms
sigma value = 15


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

Energy: 1.2115914776709031
Energy: 0.6831203251388153
Energy: 0.6983530200956751
Energy: 0.6558157997368684
Energy: 0.6742349874938567
Energy: 0.6611895188655382
Energy: 0.7085034417631766
Energy: 0.6964791393231994
Energy: 0.6554935365431457
Energy: 0.6773994830528469
Energy: 0.639871116140276
Energy: 0.7114593951339654
Energy: 0.6743101126217576
Energy: 0.6734288396337762
Energy: 0.6577988501009324
Energy: 0.6487143540239905
Energy: 0.7114850819844095
Energy: 0.6747012437510169
Energy: 0.7256709590343069
Energy: 0.6977004979209971
Energy: 0.7341966124246544
Energy: 0.6836443324227005
Energy: 0.6553625111699747
Energy: 0.693806765368772
Energy: 0.6674496528485069
Energy: 0.7326931787844283
Energy: 0.6879951399667801
Energy: 0.6542420141766432
Energy: 0.6817247711253288
Energy: 0.7424062906648761
Energy: 0.6946856177660875
Energy: 0.6536435339264798
Energy: 0.7082045590525085
Energy: 0.7330405685548855
Energy: 0.7400390801330362
Energy: 0.693675116720952
Energy: 0.6536393245723411
Energy: 0.7071885491091411
Energy: 0.7340876302505825
Energy: 0.6639239760140335
Energy: 0.7350210276711769
Energy: 0.6962115176774721
Energy: 0.6519367727342243
Energy: 0.6557716017216878
Energy: 0.6431094506821148
Energy: 0.7232867530283192
Energy: 0.6957770054607005
Energy: 0.6788050144995748
Energy: 0.6561680241392643
Energy: 0.6402820175457288
Energy: 0.6419334505446417
Energy: 0.6544557558882549
Energy: 0.6566239845103411
Energy: 0.7223949716853542
Energy: 0.7688275524122197
Energy: 0.6590310659042999
Energy: 0.6543876609535556
Energy: 0.6559420317188411
Energy: 0.7402121453308493
Energy: 0.8866272176610892
Energy: 0.6588047177311156
Energy: 0.6567416775462196
Energy: 0.6545639216387218
Energy: 0.6601759756372215
Energy: 0.7019256787844026
Energy: 0.6570744715493912
Energy: 0.6554370874858326
Energy: 0.6546799754324136
Energy: 0.6669062859163661
Energy: 0.6904750692458372
Energy: 0.6597335707416048
Energy: 0.6590895200911533
Energy: 0.6676591293608888
Energy: 0.6558323452469123
Energy: 0.6961010209411944
Energy: 0.6568030234624669
Energy: 0.657168334562438
Energy: 0.6792658036200473
Energy: 0.6561797524443624
Energy: 0.6785269973308269
Energy: 0.6630306777733069
Energy: 0.7777734636276367
Energy: 0.6801387791424415
Energy: 0.703294051693997
Energy: 0.6575849094876894
Energy: 0.6625206268158892
Energy: 0.7789554430086053
Energy: 0.6809376695992215
Energy: 0.7198409462351701
Energy: 0.6565694308320964
Energy: 0.6791038155888313
Energy: 0.6716264390259844
Energy: 0.6536335587552976
Energy: 0.6632544852666573
Energy: 0.6686297421721897
Energy: 0.6669476312617539
Energy: 0.6867646119136303
Energy: 0.6533770243101427
Energy: 0.664774965019834
Energy: 0.6689977997727776
Energy: 0.702502731549254
Energy: 0.6552357704083138
Energy: 0.6586186118616538
Energy: 0.6639566220833525
Energy: 0.6613755464525678
Energy: 0.7017058714649617
Energy: 0.6566453291660035
Energy: 0.6594302265138918
Energy: 0.6654487212818975
Energy: 0.661762590943499
Energy: 0.7787167042385144
Energy: 0.7080040005993004
Energy: 0.6498555572411802
Energy: 0.6491111292611308
Energy: 0.6961043897914714
Energy: 0.7387586783796498
Energy: 0.6959436405846042
Energy: 0.6508127496500885
Energy: 0.6527675495669297
Energy: 0.7098723220201535
Energy: 0.703390612178767
Energy: 0.7196087467423934
Energy: 0.6618119970687055
Energy: 0.6628848858259411
Energy: 0.6699363022853055
Energy: 0.7036504283503839
Energy: 0.6579827786797199
Energy: 0.6615655310142452
Energy: 0.6649704435160443
Energy: 0.7008214376306369
Energy: 0.6819269747272232
Energy: 0.7043175487768183
Energy: 0.650352210383999
Energy: 0.7082807971806012
Energy: 0.6580855369916596
Energy: 0.6804871812814837
Energy: 0.7136101582390544
Energy: 0.6397720770772356
Energy: 0.7022626297566559
Energy: 0.6583148326044329
Energy: 0.6600038170889935
Energy: 0.6978478593470334
Energy: 0.739028642961982
Energy: 0.6791142551918863
Energy: 0.6731823841763583
Energy: 0.660131339561735
Energy: 0.6645131805482494
Energy: 0.7389764381062869
Energy: 0.6776881770449742
Energy: 0.6821788727940313
Energy: 0.7381445714606588
Energy: 0.7387771177699999
Energy: 0.6637688351049882
Energy: 0.6956478488384893
Energy: 0.6586002432036991
Energy: 0.7388459033280741
Energy: 0.7393249851821617
Energy: 0.6637082514306369
Energy: 0.695682821466125
Energy: 0.6493939683858797
Energy: 0.6530039761351782
Energy: 0.6586494002691997
Energy: 0.6894720792155397
Energy: 0.7392077330520347
Energy: 0.7440062617752378
Energy: 0.653110520876959
Energy: 0.6586593718910874
Energy: 0.7309172115947448
Energy: 0.7511373795601277
Energy: 0.7291578578226695
Energy: 0.6953380476043327
Energy: 0.7758473933083754
Energy: 0.8132640499135596
Energy: 0.6977257577367334
Energy: 0.6572568043803629
Energy: 0.7466116490459068
Energy: 0.7739621502188022
Energy: 0.81209333379315
Energy: 0.658193105284406
Energy: 0.6554492911508307
Energy: 0.6589861346656918
Energy: 0.6751986438524352
Energy: 0.6663993531792421
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Energy: 0.6581170510082683
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Energy: 0.6406217898006845
Energy: 0.671617783993771
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Energy: 0.6636803603002873
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Energy: 0.640262845195
Energy: 0.6797132178192639
Energy: 0.6658758931946479
Energy: 0.6637545002760964
Energy: 0.6988336162387754
Energy: 0.648219747570104
Energy: 0.658651856986979
Energy: 0.663633195912871
Energy: 0.6662723079035717
Energy: 0.7020292848440407
Energy: 0.6573438648777258
Energy: 0.658425762698762
Energy: 0.6628866843866925
Energy: 0.6642410830315465
Energy: 0.7787621178691543
Energy: 0.7530695514311381
Energy: 0.6503223690196638
Energy: 0.6493903642893264
Energy: 0.6589643745586344
Energy: 0.739087928405857
Energy: 0.7521481690889759
Energy: 0.6494671575366572
Energy: 0.6500875866233254
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Energy: 0.7025310934882932
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Energy: 0.6920967537957383
Energy: 0.6846972918828602
Energy: 0.7203382116255606
Energy: 0.7089903598798766
Energy: 0.6674951804550495
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Energy: 0.6740599276520148
Energy: 0.7221911536087573
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Energy: 0.6626037622904477
Energy: 0.6570037499828135
Energy: 0.6599802750718674
Energy: 0.6833538616077203
Energy: 0.738761993025415
Energy: 0.6803430536672905
Energy: 0.7198327884069036
Energy: 0.6576805029281699
Energy: 0.6951593381669369
Energy: 0.738614691312623
Energy: 0.6773145884819444
Energy: 0.7101572946796062
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Energy: 0.7386456635296528
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Energy: 0.7407809036901623
Energy: 0.673519806362019
Energy: 0.7409075221717554
Energy: 0.7542914595810583
Energy: 0.6641400816208514
Energy: 0.7313065528337458
Energy: 0.6507651103775551
Energy: 0.6551774077350305
Energy: 0.7303409163792949
Energy: 0.6895350917550569
Energy: 0.7467729576240613
Energy: 0.7251165299782357
Energy: 0.6550005249036278
Energy: 0.7039473173846015
Energy: 0.6888101197358901
Energy: 0.7376173937184745
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Energy: 0.7517991272004312
Energy: 0.8082000648433987
Energy: 0.8078624805692353
Energy: 0.6607591510614566
Energy: 0.657152700350435
Energy: 0.7357986645242133
Energy: 0.8079525920487206
Energy: 0.7795699969330084
Energy: 0.6952586718194728
Energy: 0.654780121406278
Energy: 0.6587298447204851
Energy: 0.6702578792522401
Energy: 0.6584452319079368
Energy: 0.6604503250450877
Energy: 0.6598570129627725
Energy: 0.6597252430088514
Energy: 0.6709894343626309
Energy: 0.658620051111181
Energy: 0.6615706537291719
Energy: 0.6596682756242521
Energy: 0.6574432367060734
Energy: 0.7156659983926303
Energy: 0.6812818189408909
Energy: 0.6545234997090368
Energy: 0.6547296906219531
Energy: 0.6904902543426851
Energy: 0.7459036818060812
Energy: 0.6680491431540295
Energy: 0.654558323342164
Energy: 0.6549217533422292
Energy: 0.6790315428793274
Energy: 0.6530483730650035
Energy: 0.6629919421562993
Energy: 0.6851869525332696
Energy: 0.6931130879190397
Energy: 0.7025784083790959
Energy: 0.6521469876768548
Energy: 0.652905387263563
Energy: 0.6719842083057571
Energy: 0.7060805949408845
Energy: 0.6568903589822441
Energy: 0.6562761370981819
Energy: 0.7066525695656496
Energy: 0.7784614836724252
Energy: 0.6618820209635685
Energy: 0.6492043076115742
Energy: 0.648051672491227
Energy: 0.6770053510205422
Energy: 0.7778106125069425
Energy: 0.6626229961551247
Energy: 0.6596678148167968
Energy: 0.6586023570578389
Energy: 0.6591225864539277
Energy: 0.6578500688367801
Energy: 0.6534203601781765
Energy: 0.6620507593016842
Energy: 0.6613567630896862
Energy: 0.660058218816729
Energy: 0.6615027696777752
Energy: 0.6615608971237702
Energy: 0.6575186214946563
Energy: 0.6529638600724857
Energy: 0.661440860513747
Energy: 0.7539719326686544
Energy: 0.6967116173799065
Energy: 0.649149043691145
Energy: 0.6507076014959687
Energy: 0.6615163270781875
Energy: 0.7252646709388568
Energy: 0.6718630537150069
Energy: 0.7087868986706412
Energy: 0.7103092655019747
Energy: 0.7150115452777654
Energy: 0.6506560106388318
Energy: 0.6412357761690335
Energy: 0.6666046048607321
Energy: 0.6949776716106519
Energy: 0.696643528664473
Energy: 0.6540244479845145
Energy: 0.643387787549829

minimum gb energy = 0.6397720770772356 eV
minimum distance =  2.61823888129362 Angstroms
sigma value = 437


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

Energy: 0.952040418811006
Energy: 0.7337306165030616
Energy: 0.7004028979937721
Energy: 0.6693156131695769
Energy: 0.7554464327658008
Energy: 0.6522214536178224
Energy: 0.6363553101275582
Energy: 0.7003258800976856
Energy: 0.7010554095049113
Energy: 0.6895985832978543
Energy: 0.6062875181645637
Energy: 0.6483858060260792
Energy: 0.6110032223760353
Energy: 0.7386327219765464
Energy: 0.6232472421775621
Energy: 0.6061418116021009
Energy: 0.6459907348474069
Energy: 0.6102467849373882
Energy: 0.6915046026473383
Energy: 0.6228131432478077
Energy: 0.6742308867428234
Energy: 0.6820324892621783
Energy: 0.6904414817339241
Energy: 0.6213218268781154
Energy: 0.6075538450244475
Energy: 0.6743418081303437
Energy: 0.6818697273259822
Energy: 0.6913513433075461
Energy: 0.6211033169878214
Energy: 0.6765360060689778
Energy: 0.6225178714789914
Energy: 0.624151310585472
Energy: 0.6872501397942867
Energy: 0.6769682688240766
Energy: 0.6753385086504067
Energy: 0.622432539425384
Energy: 0.6209560843834888
Energy: 0.6876011067150269
Energy: 0.6762455436563092
Energy: 0.609092642046197
Energy: 0.614154468041078
Energy: 0.6382510540951675
Energy: 0.6188774593755167
Energy: 0.6231779491625132
Energy: 0.647424944370554
Energy: 0.6140709665133347
Energy: 0.6368684895852476
Energy: 0.6210586111715949
Energy: 0.6174129931545024
Energy: 0.646480333093309
Energy: 0.6327466390542066
Energy: 0.6241438026117033
Energy: 0.628186007532805
Energy: 0.6162432713147272
Energy: 0.6448589358528607
Energy: 0.633189857496471
Energy: 0.6224650689529357
Energy: 0.6059187492528713
Energy: 0.6170109940511088
Energy: 0.6446294169353363
Energy: 0.6794611636172448
Energy: 0.6071697748658709
Energy: 0.6698143895929204
Energy: 0.6261213342884181
Energy: 0.6276442196891776
Energy: 0.6778729554276987
Energy: 0.6067527744516827
Energy: 0.6708245349654056
Energy: 0.6276716464979979
Energy: 0.6284204710835808
Energy: 0.6800687762352784
Energy: 0.60703365469622
Energy: 0.6215969855962942
Energy: 0.6201920634341157
Energy: 0.6921365613459606
Energy: 0.6799612296209571
Energy: 0.6059287889656959
Energy: 0.6214875452004959
Energy: 0.6222826797653924
Energy: 0.6917200870699021
Energy: 0.6196375518770671
Energy: 0.6445596830239305
Energy: 0.6358426146024632
Energy: 0.6295337651320886
Energy: 0.6216323245669182
Energy: 0.6195746107500597
Energy: 0.6440735912136529
Energy: 0.6343907737424782
Energy: 0.6940793522655199
Energy: 0.6211090651521968
Energy: 0.6139736837868494
Energy: 0.6202841317162708
Energy: 0.6051250702293592
Energy: 0.6056883729653002
Energy: 0.6362723299729495
Energy: 0.6173857961639896
Energy: 0.6200403602111536
Energy: 0.6052231533006528
Energy: 0.608260188091654
Energy: 0.6355735559765057
Energy: 0.6071331473337128
Energy: 0.6058965833726606
Energy: 0.6091751461257525
Energy: 0.6448542902595924
Energy: 0.6041717251540637
Energy: 0.6068499777361722
Energy: 0.6055668428355664
Energy: 0.6346432257647364
Energy: 0.6443862334777003
Energy: 0.6245735992806993
Energy: 0.6063745868993304
Energy: 0.6055280475497985
Energy: 0.6055895905071312
Energy: 0.7116052755771524
Energy: 0.606816563889643
Energy: 0.6061977517417394
Energy: 0.605357084127972
Energy: 0.6052086177808564
Energy: 0.6701185732991113
Energy: 0.6063163037408403
Energy: 0.6076393172415614
Energy: 0.6055141021968005
Energy: 0.616396051212345
Energy: 0.6400319932234367
Energy: 0.6066601345226912
Energy: 0.6060793414137087
Energy: 0.6062718569076868
Energy: 0.6167597829196919
Energy: 0.6406531961957883
Energy: 0.608709994822851
Energy: 0.7408005615089854
Energy: 0.6101579261573155
Energy: 0.7616457438817055
Energy: 0.6070106157667612
Energy: 0.6055226087565747
Energy: 0.6350585621623376
Energy: 0.6371965861553156
Energy: 0.7484883583645894
Energy: 0.607398583184168
Energy: 0.6324015021843726

minimum gb energy = 0.6041717251540637 eV
minimum distance =  2.66589642396321 Angstroms
sigma value = 33