Model name: model_name=Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615000136196613
cohesive_energy=3.540278378030674
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.015486610475422845
Energy: 0.3237471324797562
Energy: 0.32374713247831066
Energy: 0.015486610475422845
Energy: 0.3237471324797562
Energy: 0.3237471324797562
Energy: 0.015486610475422845
Energy: 0.3237471324797562
Energy: 0.3237471324797562
Energy: 0.015486610475422845
Energy: 0.3209182515998439
Energy: 0.018304805284650772
Energy: 0.3210254495940814
Energy: 0.3209182515998439
Energy: 0.018304805284650772
Energy: 0.3210254495955269
Energy: 0.3209182515998439
Energy: 0.018304805284650772
Energy: 0.3210254495955269
Energy: 0.3209182515998439
Energy: 0.6637836811446456
Energy: 0.18736425599457657
Energy: 0.18736425599457657
Energy: 0.6637836811432001
Energy: 0.18736425599602208
Energy: 0.18736425599457657
Energy: 0.6637836811432001
Energy: 0.18736425599457657
Energy: 0.18736425599602208
Energy: 0.6637836811417546
Energy: 0.3209182515998439
Energy: 0.3210254495940814
Energy: 0.018304805284650772
Energy: 0.3209182515998439
Energy: 0.3210254495940814
Energy: 0.018304805284650772
Energy: 0.3209182515998439
Energy: 0.3210254495940814
Energy: 0.018304805284650772
Energy: 0.3209182515998439
Energy: 0.015486610475422845
Energy: 0.3237471324797562
Energy: 0.32374713247831066
Energy: 0.015486610475422845
Energy: 0.3237471324797562
Energy: 0.3237471324797562
Energy: 0.015486610475422845
Energy: 0.3237471324797562
Energy: 0.3237471324797562
Energy: 0.015486610475422845
Energy: 0.3209182515998439
Energy: 0.018304805284650772
Energy: 0.3210254495955269
Energy: 0.3209182515998439
Energy: 0.018304805284650772
Energy: 0.3210254495955269
Energy: 0.3209182515998439
Energy: 0.018304805284650772
Energy: 0.3210254495955269
Energy: 0.3209182515998439
Energy: 0.6637836811446456
Energy: 0.18736425599457657
Energy: 0.18736425599457657
Energy: 0.6637836811432001
Energy: 0.18736425599457657
Energy: 0.18736425599602208
Energy: 0.6637836811432001
Energy: 0.18736425599457657
Energy: 0.18736425599457657
Energy: 0.6637836811432001

minimum gb energy = 0.015486610475422845 eV
minimum distance =  2.35340412452401 Angstroms
sigma value = 3


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

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Energy: 0.9095474810994382
Energy: 0.9092018611432794
Energy: 0.8153078437682382
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Energy: 0.8153078437682382
Energy: 0.777694529159494
Energy: 0.791286191801449
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Energy: 0.8732803269091426
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Energy: 0.756863529350981
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Energy: 0.9242635619231883
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Energy: 0.9421909296477515
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Energy: 0.8844783503395417
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Energy: 0.8932298736479521
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Energy: 0.8932298736451196
Energy: 0.7911631735183721
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Energy: 0.8213250830125854
Energy: 0.9095474810990518
Energy: 0.9092018611439876
Energy: 0.8209092812124724
Energy: 0.9095474810969273
Energy: 0.9092018611450176
Energy: 0.8213250830125854
Energy: 0.9095474810976355
Energy: 0.9092018611457257
Energy: 0.8209092812124724
Energy: 0.7776945291591078
Energy: 0.7912861918017708
Energy: 0.8742511365569837
Energy: 0.7776945291612322
Energy: 0.7912861918020928
Energy: 0.8742511365594944
Energy: 0.7776945291602022
Energy: 0.7912861917982302
Energy: 0.8742511365569837
Energy: 0.7776945291612322
Energy: 0.8297957007626349
Energy: 0.9109317728049934
Energy: 0.8825674147681862
Energy: 0.7988208361165714
Energy: 0.9109317727993282
Energy: 0.8825674147660617
Energy: 0.8297957007612187
Energy: 0.9109317728071179
Energy: 0.88256741476677
Energy: 0.7988208361155414
Energy: 0.909572511531436
Energy: 0.9789668754517411
Energy: 0.6899470589874759
Energy: 0.909572511531436
Energy: 0.9789668754489085
Energy: 0.6899470589870896
Energy: 0.9095725115328523
Energy: 0.9789668754503247
Energy: 0.6899470589867679
Energy: 0.909572511532466

minimum gb energy = 0.6559759101676873 eV
minimum distance =  2.3768208182773 Angstroms
sigma value = 75


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

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Energy: 0.7587129897134867
Energy: 0.75869546092656
Energy: 1.0329218307992438
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minimum gb energy = 0.7584664315456281 eV
minimum distance =  2.24920251670726 Angstroms
sigma value = 105


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

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Energy: 0.993924366252157
Energy: 0.9002403999013711
Energy: 0.9089351568846764
Energy: 0.9753702569865413
Energy: 0.9398896936631951
Energy: 0.9089351568827272
Energy: 0.9753702569842024
Energy: 0.9403314618248588
Energy: 0.9089351568838968
Energy: 0.9753702569814735
Energy: 0.9398896936661011
Energy: 0.9089351568850663
Energy: 0.9487945450756936
Energy: 0.8772210338991566
Energy: 0.8871255945327893
Energy: 0.9487945450708385
Energy: 0.8772210338987667
Energy: 0.8869726506277407
Energy: 0.9487945450710158
Energy: 0.8772210338997237
Energy: 0.8871255945380342
Energy: 0.9487945450764733
Energy: 0.9647765673732848
Energy: 0.9154549869088786
Energy: 0.9317114472415032
Energy: 0.9265393051364995
Energy: 0.9154549869075321
Energy: 0.93171144724246
Energy: 0.9647765673697763
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Energy: 0.9317114472432398
Energy: 0.9265393051368895
Energy: 0.8817860862819076
Energy: 0.869530272144528
Energy: 0.9677670710081447
Energy: 0.925790304091603
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Energy: 0.9287143047142289
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Energy: 0.8695302721460872
Energy: 0.9677670710079321
Energy: 0.9257903040908234
Energy: 0.8785226271827413
Energy: 0.8540672935259933
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Energy: 0.8785226271831312
Energy: 0.854067293526773
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Energy: 0.8785226271846905
Energy: 0.8540672935289347
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Energy: 0.9390868113449597
Energy: 0.9315005655554254
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Energy: 0.9315005655544685
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Energy: 0.9390868113451369
Energy: 0.9153118196201985
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Energy: 0.9418648904482746
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Energy: 0.9153118196203757
Energy: 0.8879793477776068
Energy: 0.9915946308160992
Energy: 0.9919055898879144
Energy: 0.8879453188323887
Energy: 0.9915946308182609
Energy: 0.991905589886745
Energy: 0.8879793477777841
Energy: 0.9915946308174812
Energy: 0.9919055898845832
Energy: 0.8879453188312193
Energy: 0.9578703263145126
Energy: 0.8894119034532095
Energy: 0.9163339577405362
Energy: 0.9578703263137331
Energy: 0.8894119034526071
Energy: 0.9163339577430878
Energy: 0.9578703263110043
Energy: 0.8894119034574978
Energy: 0.9163339577415286
Energy: 0.9578703263125635
Energy: 0.899694890305441
Energy: 0.9317475705630747
Energy: 0.8885934491890766
Energy: 0.8996948903058308
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Energy: 0.8885934491906359
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Energy: 0.9317475705658034
Energy: 0.8885934491867377
Energy: 0.899694890306008
Energy: 0.924524795825647
Energy: 0.9241193466520861
Energy: 0.8544901728042371
Energy: 0.9246685791932173
Energy: 0.924198963202459
Energy: 0.8544901728065761
Energy: 0.9245247958234852
Energy: 0.9241193466534683
Energy: 0.8544901728036345
Energy: 0.9246685791953436
Energy: 0.8969943503326214
Energy: 0.9534905708741882
Energy: 0.8684597948940043
Energy: 0.8969943503327987
Energy: 0.9534905708755349
Energy: 0.8684597948975126
Energy: 0.8969943503312393
Energy: 0.9534905708773068
Energy: 0.8684597948965559
Energy: 0.8969943503316292
Energy: 0.896867670154048
Energy: 0.9098648465260635
Energy: 0.9382365844742403
Energy: 0.8968676701557846
Energy: 0.9098648465282252
Energy: 0.9382365844734608
Energy: 0.8968676701552175
Energy: 0.9098648465266659
Energy: 0.9382365844734608
Energy: 0.8968676701542253
Energy: 0.9225836813893954
Energy: 1.0200350107465292
Energy: 0.9686436994004035
Energy: 0.9225836813901751
Energy: 1.0047600835529145
Energy: 0.968643699401573
Energy: 0.9225836813917345
Energy: 1.0200350107504275
Energy: 0.968643699403735
Energy: 0.9225836813901751
Energy: 0.9602300744624653
Energy: 0.9440960007462715
Energy: 0.885262298388208
Energy: 0.9602300744616857
Energy: 0.9440960007496028
Energy: 0.8852622983889876
Energy: 0.9602300744622881
Energy: 0.9440960007509496
Energy: 0.8852622983870385
Energy: 0.9602300744630677
Energy: 0.8490469471385952
Energy: 0.8879710902284305
Energy: 0.9104408912591478
Energy: 0.8490469471395521
Energy: 0.8879710902286077
Energy: 0.910440891256419
Energy: 0.8490469471397646
Energy: 0.8879710902282179
Energy: 0.9104408912568088
Energy: 0.8490469471385952
Energy: 0.8963056046891151
Energy: 0.9237883021027901
Energy: 0.9245613225006837
Energy: 0.8963056046889379
Energy: 0.9237883021033925
Energy: 0.9245613225006837
Energy: 0.8963056046879457
Energy: 0.923788302100451
Energy: 0.9245613225041921
Energy: 0.8963056046887253
Energy: 0.8767240763491428
Energy: 0.9376670223438511
Energy: 0.9182921896832145
Energy: 0.8767240763485403
Energy: 0.9376680483562081
Energy: 0.918292189682045
Energy: 0.8767240763499224
Energy: 0.9376670223438511
Energy: 0.9182921896775798
Energy: 0.8767240763503122
Energy: 0.9292023625827749
Energy: 0.9384048544023882
Energy: 0.9248008856135681
Energy: 0.9292023625812157
Energy: 0.9384336218068478
Energy: 0.9248008856141352
Energy: 0.9292023625823851
Energy: 0.9384048544058966
Energy: 0.9248008856164743
Energy: 0.9292023625835546
Energy: 0.8560941913885679
Energy: 0.9180209662003425
Energy: 0.8889490890933569
Energy: 0.8560941913893477
Energy: 0.9180209662009449
Energy: 0.8889490890923646
Energy: 0.8560941913846697
Energy: 0.918020966198606
Energy: 0.8889490890931442
Energy: 0.8560941913945925
Energy: 0.9529333260536864
Energy: 0.9940580757935596
Energy: 0.9003342790442974
Energy: 0.9529333260548559
Energy: 1.0001016244819003
Energy: 0.9003342790421711
Energy: 0.9529333260501781
Energy: 0.9940580757906536
Energy: 0.900334279043128
Energy: 0.9529333260490085
Energy: 0.9754999026423152
Energy: 0.9227098324710634
Energy: 0.9090989622367325
Energy: 0.9754999026456465
Energy: 0.9389425303480972
Energy: 0.9090989622380791
Energy: 0.9754999026472057
Energy: 0.9227098324734023
Energy: 0.909098962235563
Energy: 0.975499902644087
Energy: 0.8772089554583932
Energy: 0.8863173177079218
Energy: 0.9495290599713537
Energy: 0.8772089554583932
Energy: 0.8863341340943188
Energy: 0.9495290599719208
Energy: 0.8772089554560542
Energy: 0.8863173177125642
Energy: 0.9495290599709639
Energy: 0.8772089554560542

minimum gb energy = 0.8490469471385952 eV
minimum distance =  2.34588136518532 Angstroms
sigma value = 165


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

Energy: 0.8866980788669504
Energy: 0.9011369209147579
Energy: 0.9015122214943674
Energy: 0.8416448324924047
Energy: 0.9011369209154272
Energy: 0.901512221497713
Energy: 0.8866980788669504
Energy: 0.9011369209154272
Energy: 0.9015122215017279
Energy: 0.8416448324924047
Energy: 0.947956034616106
Energy: 0.8500201288941596
Energy: 0.9417097617527973
Energy: 0.9479560346147676
Energy: 0.8500201288941596
Energy: 0.9417097617554738
Energy: 0.947956034616775
Energy: 0.8500201288941596
Energy: 0.9417097617534664
Energy: 0.9479560346127603
Energy: 0.8860753709797904
Energy: 0.9334141253190313
Energy: 0.8534681461307693
Energy: 0.8860753709797904
Energy: 0.9334141253190313
Energy: 0.8535016968618624
Energy: 0.8860753709797904
Energy: 0.9334141253183622
Energy: 0.8534681461307693
Energy: 0.8860753709797904
Energy: 0.9535012172259465
Energy: 0.8969756027132325
Energy: 0.8496182329248138
Energy: 0.9535012172259465
Energy: 0.8969756027132325
Energy: 0.8496182329254829
Energy: 0.9535012172259465
Energy: 0.8969756027132325
Energy: 0.8496182329248138
Energy: 0.9535012172259465
Energy: 0.9280837597036682
Energy: 0.922743164372083
Energy: 0.813742713223068
Energy: 0.9280837694219733
Energy: 0.9227431643740904
Energy: 0.813742713223068
Energy: 0.9280837686755463
Energy: 0.9227431643734213
Energy: 0.813742713223068
Energy: 0.9280837668643022
Energy: 0.850126910583229
Energy: 0.9960170764469503
Energy: 0.9449345486900635
Energy: 0.850126910583229
Energy: 0.9960170764469503
Energy: 0.9449345486893944
Energy: 0.850126910583229
Energy: 0.9960170764469503
Energy: 0.9449345486900635
Energy: 0.850126910583229
Energy: 0.8994952650371438
Energy: 0.9192176129726921
Energy: 0.8994359765506282
Energy: 0.8994952797162505
Energy: 0.9192176129720231
Energy: 0.8994359765506282
Energy: 0.8994952731087531
Energy: 0.9192176129726921
Energy: 0.8994359765506282
Energy: 0.8994952849974489
Energy: 0.9704462512084924
Energy: 0.848620087487875
Energy: 0.8495729039740199
Energy: 0.9704462512084924
Energy: 0.848620087487875
Energy: 0.849572903974689
Energy: 0.9704462512084924
Energy: 0.848620087487875
Energy: 0.8495729039740199
Energy: 0.9704462512084924
Energy: 0.901638824059246
Energy: 0.9011185585435806
Energy: 0.9191092081129076
Energy: 0.901638824059246
Energy: 0.9011185585241756
Energy: 0.9192608884912417
Energy: 0.901638824059246
Energy: 0.9011185585301977
Energy: 0.9191092081129076
Energy: 0.9016388240585769
Energy: 0.8935569239228616
Energy: 0.944784086002962
Energy: 1.000288023837862
Energy: 0.8503567500091732
Energy: 0.9447840860036312
Energy: 1.000288023837862
Energy: 0.8935569239228616
Energy: 0.944784086002962
Energy: 1.000288023837862
Energy: 0.8503567500091732
Energy: 0.9088849277564034
Energy: 0.8806829050806065
Energy: 0.9913517147329011
Energy: 0.8794355904689087
Energy: 0.8806829098507937
Energy: 0.9303734804197007
Energy: 0.9088849277557342
Energy: 0.8806829043716208
Energy: 0.9913517147329011
Energy: 0.8794355904682395
Energy: 0.9461011937323099
Energy: 0.8497434528908774
Energy: 0.9007276644456391
Energy: 0.9461011937323099
Energy: 0.8497434528908774
Energy: 0.9007276644456391
Energy: 0.9461011937323099
Energy: 0.8497434528908774
Energy: 0.9007276644456391
Energy: 0.9461011937323099
Energy: 0.9275642888356734
Energy: 0.8532278303510885
Energy: 0.9484127599835903
Energy: 0.9275642888363426
Energy: 0.8532278303510885
Energy: 0.9484127615714323
Energy: 0.9275642888329967
Energy: 0.8532278303510885
Energy: 0.9484127612898455
Energy: 0.9275642888410265
Energy: 0.899823636095464
Energy: 0.9252795308973206
Energy: 0.850352915120789
Energy: 0.899823636095464
Energy: 0.9252795308973206
Energy: 0.850352915120789
Energy: 0.899823636095464
Energy: 0.9252795308973206
Energy: 0.850352915121458
Energy: 0.899823636095464
Energy: 0.8416448324924047
Energy: 0.9011369209154272
Energy: 0.9015122214790074
Energy: 0.8416448324924047
Energy: 0.9011369209154272
Energy: 0.9015122214883755
Energy: 0.8416448324924047
Energy: 0.9011369209154272
Energy: 0.9015122215037353
Energy: 0.8416448324924047

minimum gb energy = 0.813742713223068 eV
minimum distance =  2.34495952148064 Angstroms
sigma value = 41


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

Energy: 0.9174563168258332
Energy: 0.8279409509421365
Energy: 0.8278690006746332
Energy: 0.9174563168258332
Energy: 0.8279409509421365
Energy: 0.8278690006746332
Energy: 0.9174563168258332
Energy: 0.8279409509421365
Energy: 0.8278690006746332
Energy: 0.9174563168258332
Energy: 0.7994652117736747
Energy: 0.7417956046353249
Energy: 0.8327865203996782
Energy: 0.7994652117736747
Energy: 0.7417956046327288
Energy: 0.8327865203996782
Energy: 0.7994652117736747
Energy: 0.7417956046353249
Energy: 0.8327865203970819
Energy: 0.7994652117736747
Energy: 0.7803002962980623
Energy: 0.7381393359014924
Energy: 0.7506557910822144
Energy: 0.7803002962980623
Energy: 0.7381393359014924
Energy: 0.7506557910822144
Energy: 0.7803002962980623
Energy: 0.7381393359014924
Energy: 0.7506557910848105
Energy: 0.7803002962980623
Energy: 0.7582992313102717
Energy: 0.7575740132934881
Energy: 0.7445895807101001
Energy: 0.7582992313128679
Energy: 0.7575740132934881
Energy: 0.7445895807101001
Energy: 0.7582992313154641
Energy: 0.7575740132934881
Energy: 0.7445895807101001
Energy: 0.7582992313154641
Energy: 0.7767899751898361
Energy: 0.7752649063261539
Energy: 0.7453579600673492
Energy: 0.7767899751924323
Energy: 0.775264906352116
Energy: 0.7453579600673492
Energy: 0.7767899751898361
Energy: 0.7752649063313461
Energy: 0.7453579600673492
Energy: 0.7767899751924323
Energy: 0.737552453238715
Energy: 0.8089013153648129
Energy: 0.7993207049159993
Energy: 0.737552453238715
Energy: 0.8089013153648129
Energy: 0.7993207049185956
Energy: 0.737552453238715
Energy: 0.8089013153648129
Energy: 0.7993207049134031
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Energy: 0.7457022890169185
Energy: 0.7372833844842888
Energy: 0.8318436898530834
Energy: 0.7457022890169185
Energy: 0.7372833844842888
Energy: 0.8318436898530834
Energy: 0.7457022890169185
Energy: 0.737283384486885
Energy: 0.8318436898530834
Energy: 0.7457022890169185
Energy: 0.827127961406326
Energy: 0.7495925557830649
Energy: 0.8258641023765794
Energy: 0.827127961406326
Energy: 0.7495925557830649
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Energy: 0.827127961406326
Energy: 0.7495925557830649
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Energy: 0.827127961406326
Energy: 0.8003072175305933
Energy: 0.8012657977728614
Energy: 0.7588244118536994
Energy: 0.8003072175357385
Energy: 0.8012657977754577
Energy: 0.7588244118536994
Energy: 0.8003072175305933
Energy: 0.8012657977728614
Energy: 0.7588244118536994
Energy: 0.8003072175357385
Energy: 0.7465467281855165
Energy: 0.8060672254556628
Energy: 0.7743737561771709
Energy: 0.7465467281855165
Energy: 0.8060672254556628
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Energy: 0.7465467281855165
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Energy: 0.7465467281855165
Energy: 0.7440142539137344
Energy: 0.7518084155074806
Energy: 0.7517662128968022
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Energy: 0.7518084155048844
Energy: 0.7517662123518333
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Energy: 0.7518084155074806
Energy: 0.7517662123985179
Energy: 0.7440142539137344
Energy: 0.7469390334529481
Energy: 0.7526039041017971
Energy: 0.8074900069935248
Energy: 0.7469390334529481
Energy: 0.7526039041043935
Energy: 0.8074900069935248
Energy: 0.7469390334529481
Energy: 0.7526039041017971
Energy: 0.8074900069935248
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Energy: 0.7990130311436832
Energy: 0.7391953558606105
Energy: 0.8435121462745201
Energy: 0.7990130311410869
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Energy: 0.8435121462745201
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Energy: 0.7391953558606105
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Energy: 0.8285476337233134
Energy: 0.8261862061154711
Energy: 0.7356705454003946
Energy: 0.8285476337233134
Energy: 0.8261862061154711
Energy: 0.7356705454003946
Energy: 0.8285476337233134
Energy: 0.8261862061154711
Energy: 0.7356705454003946
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Energy: 0.7450426886388414
Energy: 0.8350283009206068
Energy: 0.7382329203441713
Energy: 0.7450426886414375
Energy: 0.8350283009206068
Energy: 0.7382329203441713
Energy: 0.7450426886414375
Energy: 0.8350283009206068
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Energy: 0.7450426886388414
Energy: 0.7390431919064785
Energy: 0.8010284160136457
Energy: 0.8058769510131129
Energy: 0.7390431919064785
Energy: 0.8010284160110496
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Energy: 0.8058769510131129
Energy: 0.7390431919090746
Energy: 0.776220498901422
Energy: 0.7732515722489445
Energy: 0.7714656312119509
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Energy: 0.7715446651240919
Energy: 0.7784517411468466
Energy: 0.7511889663620949
Energy: 0.7715446651240919
Energy: 0.7784517411468466
Energy: 0.7511889278176209
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Energy: 0.7784517411468466
Energy: 0.7511890187796961
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Energy: 0.8166790367261256
Energy: 0.827177859976939
Energy: 0.7375630322073666
Energy: 0.8152167771541093
Energy: 0.8271778599743427
Energy: 0.7375630322073666
Energy: 0.8152167771593019
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Energy: 0.7375630322073666
Energy: 0.8166790367261256
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Energy: 0.833602586536024
Energy: 0.7424051526597067
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Energy: 0.833602586536024
Energy: 0.7424051526597067
Energy: 0.7390017015362456
Energy: 0.833602586536024
Energy: 0.7424051526597067
Energy: 0.7390017015362456
Energy: 0.7354728698810522
Energy: 0.8280556341521904
Energy: 0.8276305730746841
Energy: 0.7354728698810522
Energy: 0.8280556341521904
Energy: 0.827630573072088
Energy: 0.7354728698810522
Energy: 0.8280556341521904
Energy: 0.827630573072088
Energy: 0.7354728698810522
Energy: 0.843566692072384
Energy: 0.7416493273124369
Energy: 0.7972905040749305
Energy: 0.843566692072384
Energy: 0.7416493273124369
Energy: 0.797290491968975
Energy: 0.843566692072384
Energy: 0.7416493273124369
Energy: 0.797290521090751
Energy: 0.843566692072384
Energy: 0.7389309206084337
Energy: 0.7521258406026702
Energy: 0.751280206491513
Energy: 0.738930920616175
Energy: 0.7521258406026702
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Energy: 0.7389309206136261
Energy: 0.7521258406026702
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Energy: 0.7389309206136261
Energy: 0.7521327469427657
Energy: 0.7516410175382638
Energy: 0.7442266927300284
Energy: 0.7521327469349769
Energy: 0.7516410175356677
Energy: 0.7442266927300284
Energy: 0.7521327469142545
Energy: 0.7516410175434564
Energy: 0.7442266927300284
Energy: 0.7521327469297846
Energy: 0.773803166846307
Energy: 0.7919023087157029
Energy: 0.7459461904335684
Energy: 0.773803166846307
Energy: 0.7919023087157029
Energy: 0.7459461904335684
Energy: 0.773803166846307
Energy: 0.7919023087131066
Energy: 0.7459461904335684
Energy: 0.773803166846307
Energy: 0.9126407266321112
Energy: 0.8015936450586754
Energy: 0.798374869488564
Energy: 0.9126407266321112
Energy: 0.8015936450612716
Energy: 0.798374869488564
Energy: 0.9126407266321112
Energy: 0.8015936450612716
Energy: 0.7983748694911601
Energy: 0.9126407266321112
Energy: 0.7854080543904186
Energy: 0.7366783950426989
Energy: 0.8079913979174912
Energy: 0.7854080543878224
Energy: 0.7366783950426989
Energy: 0.8079913979174912
Energy: 0.7854080543904186
Energy: 0.7366783950426989
Energy: 0.8079913979174912
Energy: 0.7854080543904186
Energy: 0.8002639272774978
Energy: 0.743111129648033
Energy: 0.7480347787671054
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Energy: 0.743111129648033
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Energy: 0.8002639272774978
Energy: 0.7995783162683915
Energy: 0.8045814557652803
Energy: 0.7392908237907937
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Energy: 0.7392908237907937
Energy: 0.7995783162683915
Energy: 0.8045814557652803
Energy: 0.7392908237907937
Energy: 0.7995783162709876
Energy: 0.7461586823681581
Energy: 0.7758043726307902
Energy: 0.7745820975971143
Energy: 0.7461586823707543
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Energy: 0.774582097594518
Energy: 0.7461586823681581
Energy: 0.775804372628194
Energy: 0.7745820975971143
Energy: 0.7461586823707543
Energy: 0.7461537443122014
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Energy: 0.7577893555211513
Energy: 0.7461537443122014
Energy: 0.757641462323839
Energy: 0.7577893555211513
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Energy: 0.7576414623264354
Energy: 0.7577893555185553
Energy: 0.7461537443122014
Energy: 0.741510597119882
Energy: 0.7517289064703463
Energy: 0.8010636909602042
Energy: 0.741510597119882
Energy: 0.7517289071217127
Energy: 0.8010636909602042
Energy: 0.7415105971224784
Energy: 0.7517289061745195
Energy: 0.801063690957608
Energy: 0.7415105971276708
Energy: 0.831542176553219
Energy: 0.7396082208545698
Energy: 0.7986046768869884
Energy: 0.8315421765506229
Energy: 0.7396082208545698
Energy: 0.7986046768869884
Energy: 0.831542176553219
Energy: 0.7396082208545698
Energy: 0.7986046768869884
Energy: 0.8315421765506229
Energy: 0.8289766357253546
Energy: 0.8253791071891539
Energy: 0.9170930750507077
Energy: 0.8289766357253546
Energy: 0.8253791071891539
Energy: 0.9170930750507077
Energy: 0.8289766357253546
Energy: 0.8253791071891539
Energy: 0.9170930750507077
Energy: 0.8289766357253546
Energy: 0.7446550343487263
Energy: 0.7894239886012047
Energy: 0.7783800617254173
Energy: 0.7446550343487263
Energy: 0.7894239886012047
Energy: 0.7783800617254173
Energy: 0.7446550343487263
Energy: 0.7894239885986084
Energy: 0.7783800617254173
Energy: 0.7446550343487263
Energy: 0.7454008875434356
Energy: 0.7518211356610213
Energy: 0.7532995803024631
Energy: 0.7454008875408394
Energy: 0.7518211356610213
Energy: 0.753299580299867
Energy: 0.7454008875408394
Energy: 0.7518211356558289
Energy: 0.7532995803050593
Energy: 0.7454008875408394
Energy: 0.751905751295112
Energy: 0.7449587717949684
Energy: 0.7589639981876019
Energy: 0.7519057512925631
Energy: 0.7449587717949684
Energy: 0.7589639981876019
Energy: 0.7519057512925631
Energy: 0.7449587717949684
Energy: 0.7589639981876019
Energy: 0.7519057512925631
Energy: 0.7750177969106292
Energy: 0.7452385620180315
Energy: 0.7954569797187105
Energy: 0.7750177969080331
Energy: 0.7452385620180315
Energy: 0.7954569797187105
Energy: 0.7750177969106292
Energy: 0.7452385620206277
Energy: 0.7954569797187105
Energy: 0.7750177969080331
Energy: 0.783548052571285
Energy: 0.8297910576588085
Energy: 0.7363527197498616
Energy: 0.783548052571285
Energy: 0.829791057653616
Energy: 0.7363527197524578
Energy: 0.783548052571285
Energy: 0.8297910576562123
Energy: 0.7363527197524578
Energy: 0.783548052571285

minimum gb energy = 0.7354728698810522 eV
minimum distance =  2.29904897432084 Angstroms
sigma value = 185


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

Energy: 0.4147751479845597
Energy: 0.4134646773343681
Energy: 0.4135364529305826
Energy: 0.3322035279330289
Energy: 0.4134646773343681
Energy: 0.41353645293089075
Energy: 0.4147751479845597
Energy: 0.4134646773343681
Energy: 0.4135364529305826
Energy: 0.3322035279330289
Energy: 0.40852780187324855
Energy: 0.40756542249852584
Energy: 0.4466606123949422
Energy: 0.40852780187294035
Energy: 0.40756542249852584
Energy: 0.44666061239555854
Energy: 0.40852780187294035
Energy: 0.40756542249852584
Energy: 0.44666061239555854
Energy: 0.40852780187324855
Energy: 0.33221013854922155
Energy: 0.42657079698947026
Energy: 0.3520152910205551
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Energy: 0.42657079698947026
Energy: 0.3520152910205551
Energy: 0.33221013854891335
Energy: 0.42657079698947026
Energy: 0.3520152910202469
Energy: 0.33221013854922155
Energy: 0.43801749550092306
Energy: 0.41338409436872015
Energy: 0.4021368627613651
Energy: 0.43801749550123115
Energy: 0.41338409436872015
Energy: 0.4021368627616733
Energy: 0.43801749550092306
Energy: 0.41338409436872015
Energy: 0.40213686276198146
Energy: 0.43801749550092306
Energy: 0.41483907841603856
Energy: 0.4082225132839867
Energy: 0.3392657539559475
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Energy: 0.4082225132839867
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Energy: 0.41483907841603856
Energy: 0.40822251328429476
Energy: 0.33926575395563935
Energy: 0.41483907841603856
Energy: 0.4834800269687444
Energy: 0.40601105359691697
Energy: 0.4003117705730462
Energy: 0.4834800269687444
Energy: 0.40601105359691697
Energy: 0.40031177057273803
Energy: 0.4834800269684363
Energy: 0.40601105359630063
Energy: 0.4003117705724298
Energy: 0.4834800269687444
Energy: 0.4147653213012073
Energy: 0.4008611021627699
Energy: 0.4253001378599781
Energy: 0.4147653213008991
Energy: 0.4008611021627699
Energy: 0.42530013785936166
Energy: 0.4147653213015155
Energy: 0.40086110216246174
Energy: 0.42530013785966986
Energy: 0.4147653213008991
Energy: 0.48315290524341137
Energy: 0.3795715380083526
Energy: 0.427241778183174
Energy: 0.48315290524371957
Energy: 0.33928952610047725
Energy: 0.42724177818348213
Energy: 0.48315290524371957
Energy: 0.37957153800804433
Energy: 0.427241778183174
Energy: 0.48315290524371957
Energy: 0.3699337287826958
Energy: 0.4185982515660064
Energy: 0.4133479762826206
Energy: 0.3699337287826958
Energy: 0.4185982515660064
Energy: 0.4133479762826206
Energy: 0.3699337287826958
Energy: 0.4185982515660064
Energy: 0.41334797628231246
Energy: 0.369933728783004
Energy: 0.3322946974090868
Energy: 0.3520491051662428
Energy: 0.42788913022656544
Energy: 0.3322946974090868
Energy: 0.3520491051643937
Energy: 0.4278891302271819
Energy: 0.3322946974087786
Energy: 0.3520491051653183
Energy: 0.42788913022625735
Energy: 0.3322946974090868
Energy: 0.40847994577711577
Energy: 0.4130445493984819
Energy: 0.40798770119330735
Energy: 0.4084799457768076
Energy: 0.4130445493984819
Energy: 0.4079877011929992
Energy: 0.4084799457768076
Energy: 0.41304454939879015
Energy: 0.4079877011936156
Energy: 0.4084799457768076
Energy: 0.3322035279330289
Energy: 0.4134646773343681
Energy: 0.4135364529305826
Energy: 0.3322035279330289
Energy: 0.4134646773343681
Energy: 0.41353645293089075
Energy: 0.3322035279330289
Energy: 0.4134646773343681
Energy: 0.4135364529305826
Energy: 0.3322035279330289
Energy: 0.40852780187324855
Energy: 0.407565422498834
Energy: 0.44666061239555854
Energy: 0.40852780187294035
Energy: 0.40756542249852584
Energy: 0.44666061239586674
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Energy: 0.407565422498834
Energy: 0.44666061239555854
Energy: 0.40852780187324855
Energy: 0.33221013854922155
Energy: 0.42657079698947026
Energy: 0.3520152910205551
Energy: 0.33221013854922155
Energy: 0.42657079698916206
Energy: 0.3520152910202469
Energy: 0.33221013854891335
Energy: 0.42657079698947026
Energy: 0.3520152910205551
Energy: 0.33221013854891335
Energy: 0.43801749550123115
Energy: 0.41338409436872015
Energy: 0.4021368627613651
Energy: 0.43801749550092306
Energy: 0.41338409436872015
Energy: 0.4021368627616733
Energy: 0.4380174955006148
Energy: 0.41338409436872015
Energy: 0.40213686276198146
Energy: 0.43801749550092306
Energy: 0.41483907841603856
Energy: 0.4082225132839867
Energy: 0.3392657539559475
Energy: 0.41483907841603856
Energy: 0.4082225132839867
Energy: 0.3817692651879997
Energy: 0.4148390784163468
Energy: 0.4082225132839867
Energy: 0.33926575395563935
Energy: 0.41483907841603856
Energy: 0.4834800269690527
Energy: 0.40601105359691697
Energy: 0.4003117705730462
Energy: 0.4834800269684363
Energy: 0.40601105359691697
Energy: 0.40031177057273803
Energy: 0.4834800269684363
Energy: 0.4060110535966089
Energy: 0.4003117705724298
Energy: 0.4834800269684363
Energy: 0.4147653213008991
Energy: 0.4008611021627699
Energy: 0.4253001378599781
Energy: 0.4147653213012073
Energy: 0.4008611021627699
Energy: 0.42530013785966986
Energy: 0.4147653213012073
Energy: 0.40086110216246174
Energy: 0.4253001378599781
Energy: 0.4147653213012073
Energy: 0.48315290524341137
Energy: 0.3392895261001691
Energy: 0.42724177818348213
Energy: 0.48315290524371957
Energy: 0.33928952610047725
Energy: 0.42724177818348213
Energy: 0.4831529052440278
Energy: 0.33928952610047725
Energy: 0.42724177818348213
Energy: 0.48315290524371957
Energy: 0.3699337287826958
Energy: 0.4185982515660064
Energy: 0.4133479762826206
Energy: 0.3699337287823876
Energy: 0.4185982515656982
Energy: 0.4133479762826206
Energy: 0.3699337287826958
Energy: 0.4185982515660064
Energy: 0.4133479762826206
Energy: 0.369933728783004
Energy: 0.3322946974090868
Energy: 0.3520491051650101
Energy: 0.42788913022656544
Energy: 0.3322946974090868
Energy: 0.3520491051662428
Energy: 0.42788913022656544
Energy: 0.3322946974087786
Energy: 0.35204910516655097
Energy: 0.42788913022656544
Energy: 0.3322946974087786
Energy: 0.40847994577711577
Energy: 0.41304454939879015
Energy: 0.407987701192691
Energy: 0.40847994577711577
Energy: 0.41304454939879015
Energy: 0.4079877011936156
Energy: 0.4084799457768076
Energy: 0.41304454939879015
Energy: 0.4079877011929992
Energy: 0.4084799457768076
Energy: 0.4147751479845597
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Energy: 0.4135364529305826
Energy: 0.3322035279330289
Energy: 0.41346467733467623
Energy: 0.4135364529305826
Energy: 0.414775147984868
Energy: 0.41346467733467623
Energy: 0.4135364529302744
Energy: 0.3322035279330289
Energy: 0.40852780187294035
Energy: 0.40756542249852584
Energy: 0.44666061239555854
Energy: 0.40852780187294035
Energy: 0.40756542249852584
Energy: 0.44666061239555854
Energy: 0.40852780187294035
Energy: 0.407565422498834
Energy: 0.44666061239555854
Energy: 0.40852780187294035
Energy: 0.33221013854922155
Energy: 0.42657079698947026
Energy: 0.3520152910205551
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Energy: 0.42657079698947026
Energy: 0.3520152910202469
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Energy: 0.42657079698916206
Energy: 0.3520152910202469
Energy: 0.33221013854922155
Energy: 0.43801749550092306
Energy: 0.41338409436872015
Energy: 0.4021368627613651
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Energy: 0.41338409436841206
Energy: 0.4021368627613651
Energy: 0.43801749550092306
Energy: 0.41483907841603856
Energy: 0.4082225132839867
Energy: 0.3392657539559475
Energy: 0.41483907841603856
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Energy: 0.33926575395563935
Energy: 0.4148390784163468
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Energy: 0.33926575395563935
Energy: 0.41483907841603856
Energy: 0.4834800269687444
Energy: 0.40601105359691697
Energy: 0.40031177057273803
Energy: 0.4834800269687444
Energy: 0.40601105359691697
Energy: 0.40031177057273803
Energy: 0.4834800269684363
Energy: 0.40601105359630063
Energy: 0.40031177057273803
Energy: 0.4834800269687444
Energy: 0.4147653213012073
Energy: 0.4008611021627699
Energy: 0.4253001378599781
Energy: 0.41476532130059096
Energy: 0.4008611021627699
Energy: 0.4253001378599781
Energy: 0.4147653213012073
Energy: 0.40086110216246174
Energy: 0.4253001378599781
Energy: 0.4147653213008991
Energy: 0.48315290524341137
Energy: 0.37957153800804433
Energy: 0.427241778183174
Energy: 0.48315290524341137
Energy: 0.33928952610047725
Energy: 0.42724177818348213
Energy: 0.4831529052440278
Energy: 0.37957153800804433
Energy: 0.42724177818348213
Energy: 0.48315290524371957
Energy: 0.369933728783004
Energy: 0.4185982515660064
Energy: 0.4133479762826206
Energy: 0.3699337287826958
Energy: 0.4185982515660064
Energy: 0.4133479762826206
Energy: 0.3699337287826958
Energy: 0.4185982515660064
Energy: 0.41334797628231246
Energy: 0.36993372878331215
Energy: 0.3322946974090868
Energy: 0.3520491051653183
Energy: 0.42788913022625735
Energy: 0.3322946974090868
Energy: 0.3520491051650101
Energy: 0.4278891302271819
Energy: 0.3322946974087786
Energy: 0.3520491051647019
Energy: 0.42788913022625735
Energy: 0.3322946974087786
Energy: 0.4084799457768076
Energy: 0.41304454939879015
Energy: 0.40798770119330735
Energy: 0.4084799457768076
Energy: 0.4130445493984819
Energy: 0.4079877011929992
Energy: 0.4084799457768076
Energy: 0.4130445493984819
Energy: 0.4079877011936156
Energy: 0.4084799457768076

minimum gb energy = 0.3322035279330289 eV
minimum distance =  2.38709964307071 Angstroms
sigma value = 33


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

Energy: 0.7273041419181375
Energy: 0.7383961891585908
Energy: 0.738328879190734
Energy: 0.7073258731136431
Energy: 0.7383961891602827
Energy: 0.7383288791890421
Energy: 0.7273041419164457
Energy: 0.7383961891602827
Energy: 0.7383288791890421
Energy: 0.7073258731136431
Energy: 0.7633781381524741
Energy: 0.7050189232485512
Energy: 0.7085023848039127
Energy: 0.7633781381541659
Energy: 0.7050189232502431
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Energy: 0.7633781381541659
Energy: 0.7050189232485512
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Energy: 0.7633781381541659
Energy: 0.7094631972742942
Energy: 0.6829322896989324
Energy: 0.7110276874507752
Energy: 0.7094631972742942
Energy: 0.6829322896972406
Energy: 0.7110276874507752
Energy: 0.7094631972759862
Energy: 0.6829322896989324
Energy: 0.7110276874524669
Energy: 0.7094631972759862
Energy: 0.8123313317224231
Energy: 0.7026722671049216
Energy: 0.7101137332556097
Energy: 0.8123313317207312
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Energy: 0.7101137332573015
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Energy: 0.7101137332573015
Energy: 0.812331331724115
Energy: 0.7071218510488609
Energy: 0.7272310666028708
Energy: 0.7041019493589202
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Energy: 0.7272310666011791
Energy: 0.704101949360612
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Energy: 0.7614539328677751
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Energy: 0.7047115006595068
Energy: 0.7408937960332549
Energy: 0.7192440214903428
Energy: 0.7047101786981009
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Energy: 0.7406072145979695
Energy: 0.6807780482375044
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Energy: 0.7406072145996614
Energy: 0.6807780482358126
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Energy: 0.7406072145962777
Energy: 0.7418143597879484
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Energy: 0.7418143597862565
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Energy: 0.7368200680349669
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Energy: 0.7368200680366588
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Energy: 0.7368200680366588
Energy: 0.7046005095582553
Energy: 0.7498961604666892
Energy: 0.7123634628058535
Energy: 0.704600509559947
Energy: 0.7500893152041596
Energy: 0.7124110719721878
Energy: 0.704600509559947
Energy: 0.7498961604649973
Energy: 0.7123634628075453
Energy: 0.7046005095582553
Energy: 0.7055145570813418
Energy: 0.7094176538788324
Energy: 0.7133554311152707
Energy: 0.7055145570779581
Energy: 0.7094251850378319
Energy: 0.7133436644783544
Energy: 0.70551455707965
Energy: 0.7094176538788324
Energy: 0.7133554311169625
Energy: 0.7055145570813418
Energy: 0.7108251740257274
Energy: 0.7115954782580027
Energy: 0.7303801856389351
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Energy: 0.71159547826477
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Energy: 0.7108251740240354
Energy: 0.7115954782630782
Energy: 0.7303801856389351
Energy: 0.7108251740240354
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minimum gb energy = 0.6803851985254386 eV
minimum distance =  2.28007133428006 Angstroms
sigma value = 219


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

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Energy: 0.9548404381600408
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Energy: 0.9325747925899337
Energy: 0.9548404381611606
Energy: 0.9194448447007111

minimum gb energy = 0.8673878923924163 eV
minimum distance =  2.32543953918877 Angstroms
sigma value = 15


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

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minimum gb energy = 0.9855715139524232 eV
minimum distance =  2.28278245891135 Angstroms
sigma value = 293


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

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Energy: 0.9810340134568495
Energy: 1.0330610979799217
Energy: 1.072107391240638
Energy: 0.9810340134571024
Energy: 1.04445072620975
Energy: 1.0026511695337892
Energy: 0.983403681659874
Energy: 1.0444507262092442
Energy: 1.0026511695345253
Energy: 0.9834036816596211
Energy: 1.0444507262089913
Energy: 1.002651169534295
Energy: 0.9834036816596211
Energy: 1.0444507262089913
Energy: 1.0369038366736454
Energy: 1.0796519919095706
Energy: 0.980796692999293
Energy: 1.0369038366736454
Energy: 1.0796519919113414
Energy: 0.9807966929990402
Energy: 1.0369038366733696
Energy: 1.0796519919128587
Energy: 0.980796692999293
Energy: 1.0369038366736454
Energy: 1.0016141667114336
Energy: 1.003097940699355
Energy: 0.9813873288054376
Energy: 1.0016141667114336
Energy: 1.0030979406995848
Energy: 0.9813873288054376
Energy: 1.0016141667112037
Energy: 1.0030979406995848
Energy: 0.9813873288054376
Energy: 1.0016141667112037
Energy: 1.0461088598831776
Energy: 1.0364901048938677
Energy: 0.9835834591427366
Energy: 1.046108859882925
Energy: 1.0364901048938677
Energy: 0.9835834591434954
Energy: 1.0461088598869714
Energy: 1.0364901048946262
Energy: 0.9835834591427366
Energy: 1.046108859882925
Energy: 1.0087956223757844
Energy: 1.014060819831918
Energy: 1.014065869842916
Energy: 1.0087956223760375
Energy: 1.0140608198321712
Energy: 1.014065869842916
Energy: 1.0087956223757844
Energy: 1.0140608198314123
Energy: 1.0140658698421572
Energy: 1.0087956223757844
Energy: 1.0463008226854313
Energy: 0.9835965144236679
Energy: 1.0364347344545874
Energy: 1.0463008226856843
Energy: 0.9835965144241738
Energy: 1.0364347344545874
Energy: 1.0463008226856843
Energy: 0.9835965144241738
Energy: 1.0364347344543348
Energy: 1.0463008226856843
Energy: 1.001464620003772
Energy: 0.9813920093728846
Energy: 1.0032554781450367
Energy: 1.0014646200032662
Energy: 0.9813920093726317
Energy: 1.0032554781447607
Energy: 1.001464620003542
Energy: 0.9813920093728846
Energy: 1.0032554781450367
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Energy: 1.0368202295043047
Energy: 0.9807202680306066
Energy: 1.0788457811829557
Energy: 1.0368202295040752
Energy: 0.9807202680306066
Energy: 1.0788457811827028
Energy: 1.0368202295043047
Energy: 0.9807202680306066
Energy: 1.0788457811842205
Energy: 1.0368202295040752
Energy: 1.0448667561217968
Energy: 0.9834122930858523
Energy: 1.002679725543382
Energy: 1.0448667561217968
Energy: 0.9834122930861052
Energy: 1.002679725543382
Energy: 1.0448667561215437
Energy: 0.9834122930861052
Energy: 1.002679725543152
Energy: 1.0448667561217968
Energy: 0.9810311973864717
Energy: 1.07215199560283
Energy: 1.033123468684903
Energy: 0.9810311973859659
Energy: 1.0721519956025773
Energy: 1.033123468684903
Energy: 0.9810311973862188
Energy: 1.0721519956023242
Energy: 1.033123468684903
Energy: 0.9810311973862188
Energy: 0.9831524122146587
Energy: 0.9811353319138103
Energy: 1.0343173524605758
Energy: 0.9831524122151645
Energy: 0.9811353319138103
Energy: 1.0343173524603229
Energy: 0.9831524122149116
Energy: 0.9811353319138103
Energy: 1.0343173524605758
Energy: 0.9831524122154174
Energy: 1.090227817594227
Energy: 1.0276778184576065
Energy: 1.0274601253442324
Energy: 1.090227817594227
Energy: 1.0276778184603885
Energy: 1.0274601253444855
Energy: 1.0902278175934685
Energy: 1.0276778184608943
Energy: 1.0274601253444855
Energy: 1.090227817594986
Energy: 0.9830970451532898
Energy: 1.0342450120595117
Energy: 0.9811662727008421
Energy: 0.9830970451535427
Energy: 1.0342450120597648
Energy: 0.981166272701095
Energy: 0.9830970451530368
Energy: 1.0342450120600175
Energy: 0.9811662727008421
Energy: 0.9830970451535427
Energy: 0.9810340134565966
Energy: 1.0330610979799217
Energy: 1.072107391240638
Energy: 0.9810340134568495
Energy: 1.0330610979796688
Energy: 1.072107391240638
Energy: 0.9810340134563437
Energy: 1.0330610979799217
Energy: 1.072107391240638
Energy: 0.9810340134565966
Energy: 1.044450726209497
Energy: 1.0026511695345253
Energy: 0.983403681659874
Energy: 1.044450726209497
Energy: 1.0026511695348008
Energy: 0.9834036816596211
Energy: 1.0444507262087384
Energy: 1.0026511695348008
Energy: 0.9834036816596211
Energy: 1.044450726209497
Energy: 1.0369038366736454
Energy: 1.0796519919105825
Energy: 0.980796692999293
Energy: 1.0369038366733696
Energy: 1.0796519919141232
Energy: 0.980796692999293
Energy: 1.0369038366733696
Energy: 1.0796519919191814
Energy: 0.980796692999293
Energy: 1.0369038366733696

minimum gb energy = 0.9807202680303537 eV
minimum distance =  2.3053276775653 Angstroms
sigma value = 293


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

Energy: 1.0006038092577567
Energy: 1.0016261987340183
Energy: 1.0013842813123444
Energy: 1.0006038092559284
Energy: 1.001626198735348
Energy: 1.0013842813132585
Energy: 1.0006038092563854
Energy: 1.0016261987340183
Energy: 1.0013842813123444
Energy: 1.0006038092563854
Energy: 0.9989306135045684
Energy: 1.0011620996448611
Energy: 1.000812780357326
Energy: 0.9989306135050255
Energy: 1.0011620996448611
Energy: 1.0008127803577826
Energy: 0.9989306135050255
Energy: 1.0011620996448611
Energy: 1.0008127803568685
Energy: 0.9989306135050255
Energy: 0.9997538959556949
Energy: 1.0005727071401311
Energy: 1.0832926263988938
Energy: 0.9997538959556949
Energy: 1.000572707140588
Energy: 1.0832926263984364
Energy: 0.9997538959556949
Energy: 1.0005727071401311
Energy: 1.0832926263993508
Energy: 0.9997538959556949
Energy: 1.0830677454434825
Energy: 1.0004815753716103
Energy: 0.9997558595816034
Energy: 1.0830677454434825
Energy: 1.0004815753720675
Energy: 0.9997558595820605
Energy: 1.0830677454453108
Energy: 1.0004815753725245
Energy: 0.9997558595816034
Energy: 1.0830677454443967
Energy: 1.0006785510477787
Energy: 1.0013420412531013
Energy: 0.9989436733669866
Energy: 1.00067855104915
Energy: 1.0013420412531013
Energy: 0.9989436733674435
Energy: 1.0006785510477787
Energy: 1.0013420412526444
Energy: 0.9989436733669866
Energy: 1.0006785510454932
Energy: 1.001626198734891
Energy: 1.0013842813146299
Energy: 1.0006038092572995
Energy: 1.001626198735348
Energy: 1.001384281314173
Energy: 1.0006038092559284
Energy: 1.001626198734891
Energy: 1.0013842813146299
Energy: 1.0006038092563854
Energy: 1.001626198733561
Energy: 1.0011620996448611
Energy: 1.000812780357326
Energy: 0.9989306135050255
Energy: 1.0011620996448611
Energy: 1.0008127803568685
Energy: 0.9989306135041113
Energy: 1.0011620996448611
Energy: 1.0008127803564115
Energy: 0.9989306135054825
Energy: 1.0011620996448611
Energy: 1.000572707140588
Energy: 1.0832926263988938
Energy: 0.9997538959556949
Energy: 1.000572707140588
Energy: 1.0832926263988938
Energy: 0.9997538959556949
Energy: 1.000572707139674
Energy: 1.0832926263988938
Energy: 0.9997538959556949
Energy: 1.0005727071401311
Energy: 1.0004815753729817
Energy: 0.9997558595820605
Energy: 1.0830677454448538
Energy: 1.0004815753711533
Energy: 0.9997558595816034
Energy: 1.0830677454439397
Energy: 1.0004815753716103
Energy: 0.9997558595820605
Energy: 1.0830677454443967
Energy: 1.0004815753725245
Energy: 1.0013420412531013
Energy: 0.998943673368815
Energy: 1.0006785510468645
Energy: 1.0013420412526444
Energy: 0.9989436733674435
Energy: 1.0006785510477787
Energy: 1.0013420412531013
Energy: 0.9989436733683579
Energy: 1.0006785510477787
Energy: 1.0013420412531013
Energy: 1.0013842813150868
Energy: 1.0006038092568426
Energy: 1.0016261987340183
Energy: 1.0013842813146299
Energy: 1.000603809255471
Energy: 1.001626198734891
Energy: 1.0013842813146299
Energy: 1.0006038092568426
Energy: 1.001626198734891
Energy: 1.0013842813137157
Energy: 1.0008127803568685
Energy: 0.9989306135050255
Energy: 1.001162099644404
Energy: 1.0008127803568685
Energy: 0.9989306135054825
Energy: 1.0011620996448611
Energy: 1.0008127803564115
Energy: 0.9989306135031971
Energy: 1.0011620996448611
Energy: 1.0008127803577826
Energy: 1.0832926263988938
Energy: 0.9997538959556949
Energy: 1.0005727071401311
Energy: 1.0832926263975224
Energy: 0.999753895956152
Energy: 1.0005727071401311
Energy: 1.0832926263979796
Energy: 0.9997538959552377
Energy: 1.0005727071401311
Energy: 1.0832926263993508
Energy: 0.9997558595816034
Energy: 1.0830677454457682
Energy: 1.0004815753716103
Energy: 0.9997558595816034
Energy: 1.0830677454439397
Energy: 1.0004815753720675
Energy: 0.9997558595820605
Energy: 1.0830677454453108
Energy: 1.0004815753716103
Energy: 0.9997558595816034
Energy: 0.9989436733674435
Energy: 1.0006785510477787
Energy: 1.0013420412526444
Energy: 0.9989436733679008
Energy: 1.0006785510477787
Energy: 1.0013420412526444
Energy: 0.9989436733679008
Energy: 1.0006785510464073
Energy: 1.0013420412526444
Energy: 0.9989436733679008
Energy: 1.0006038092559284
Energy: 1.0016261987344754
Energy: 1.0013842813146299
Energy: 1.0006038092568426
Energy: 1.001626198734891
Energy: 1.0013842813118874
Energy: 1.0006038092559284
Energy: 1.0016261987340183
Energy: 1.0013842813146299
Energy: 1.0006038092568426
Energy: 0.9989306135050255
Energy: 1.001162099644404
Energy: 1.0008127803568685
Energy: 0.9989306135045684
Energy: 1.0011620996448611
Energy: 1.000812780357326
Energy: 0.9989306135031971
Energy: 1.0011620996453183
Energy: 1.0008127803564115
Energy: 0.9989306135036542
Energy: 0.9997538959556949
Energy: 1.0005727071401311
Energy: 1.0832926263993508
Energy: 0.9997538959556949
Energy: 1.0005727071401311
Energy: 1.0832926263984364
Energy: 0.999753895956152
Energy: 1.0005727071401311
Energy: 1.0832926263979796
Energy: 0.9997538959556949
Energy: 1.0830677454453108
Energy: 1.0004815753716103
Energy: 0.9997558595816034
Energy: 1.0830677454439397
Energy: 1.0004815753711533
Energy: 0.9997558595820605
Energy: 1.0830677454448538
Energy: 1.0004815753725245
Energy: 0.9997558595816034
Energy: 1.0830677454448538
Energy: 1.0006785510468645
Energy: 1.0013420412526444
Energy: 0.9989436733674435
Energy: 1.0006785510468645
Energy: 1.0013420412531013
Energy: 0.9989436733679008
Energy: 1.0006785510473215
Energy: 1.0013420412531013
Energy: 0.9989436733679008
Energy: 1.0006785510486929
Energy: 1.0016261987340183
Energy: 1.0013842813123444
Energy: 1.0006038092563854
Energy: 1.001626198734891
Energy: 1.0013842813150868
Energy: 1.0006038092572995
Energy: 1.0016261987340183
Energy: 1.0013842813128015
Energy: 1.0006038092563854
Energy: 1.0016261987344754
Energy: 1.0011620996448611
Energy: 1.0008127803564115
Energy: 0.9989306135041113
Energy: 1.0011620996448611
Energy: 1.0008127803568685
Energy: 0.9989306135036542
Energy: 1.001162099644404
Energy: 1.0008127803568685
Energy: 0.9989306135050255
Energy: 1.0011620996448611

minimum gb energy = 0.9989306135031971 eV
minimum distance =  2.32434063044653 Angstroms
sigma value = 15


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

Energy: 1.009979199216965
Energy: 1.0291904156788536
Energy: 1.0291086434642562
Energy: 0.9748289555558758
Energy: 1.0291904156788536
Energy: 1.0291086434663284
Energy: 1.009979199216965
Energy: 1.0291904156767813
Energy: 1.0291086434621841
Energy: 0.9748289555558758
Energy: 0.9800177457073665
Energy: 0.972206717703874
Energy: 0.9657044578675492
Energy: 0.9800177457073665
Energy: 0.972206717703874
Energy: 0.9657044578675492
Energy: 0.9800177457073665
Energy: 0.972206717703874
Energy: 0.9657044578675492
Energy: 0.9800177457073665
Energy: 0.9984612356616452
Energy: 0.9979043014588123
Energy: 1.1399665186888321
Energy: 0.9984612356616452
Energy: 0.9979043014588123
Energy: 1.1399665186867602
Energy: 0.9984612356616452
Energy: 0.9979043014588123
Energy: 1.1399665186888321
Energy: 0.9984612356616452
Energy: 0.9579407347701895
Energy: 0.9983992377077352
Energy: 0.9564364477997567
Energy: 0.9579407347701895
Energy: 0.9983992377077352
Energy: 0.9564364477976846
Energy: 0.9579407347701895
Energy: 0.9983992377077352
Energy: 0.9564364477976846
Energy: 0.9579407347701895
Energy: 0.9683245559655635
Energy: 0.972992607625058
Energy: 1.0380534430015722
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Energy: 0.972992607625058
Energy: 1.0380534430015722
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Energy: 0.9683245559655635
Energy: 1.0046403024314317
Energy: 0.9610754155764444
Energy: 0.9518627306060793
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Energy: 0.9610754155453631
Energy: 0.9518627306060793
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Energy: 0.9610754155370749
Energy: 0.9518627306060793
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Energy: 0.9984301195953461
Energy: 0.9585639447685065
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Energy: 0.9984281488353538
Energy: 0.9585639447685065
Energy: 0.9801737367415788
Energy: 0.9984301195953461
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Energy: 0.9801737367415788
Energy: 0.9984281488353538
Energy: 0.9723926975900234
Energy: 1.0647754053649874
Energy: 1.0367529337167636
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Energy: 1.0647754053649874
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Energy: 1.0647754053649874
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Energy: 0.9723926975900234
Energy: 0.9481526391627633
Energy: 0.9757680153205204
Energy: 0.9731947031414278
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Energy: 0.9757680153205204
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Energy: 0.9757680153205204
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Energy: 0.972595741042863
Energy: 1.044053958610142
Energy: 0.9813756705576275
Energy: 0.9726037544930946
Energy: 1.044053958610142
Energy: 0.9813756705576275
Energy: 0.972595741042863
Energy: 1.044053958610142
Energy: 0.9813756705576275
Energy: 0.9726037544930946
Energy: 1.0104355756678975
Energy: 0.9399606892851031
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Energy: 1.0104355756678975
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Energy: 1.0236877213554123
Energy: 1.0104355756678975
Energy: 0.9399606892851031
Energy: 1.0236877213574844
Energy: 1.0104355756678975
Energy: 1.037441306549593
Energy: 0.9476142500143142
Energy: 1.1065280094515566
Energy: 1.037441306549593
Energy: 0.9469929827842899
Energy: 1.1065280094474124
Energy: 1.037441306549593
Energy: 0.9476142500143142
Energy: 1.1065280094494845
Energy: 1.037441306549593
Energy: 1.0783857815206386
Energy: 0.9563948191439847
Energy: 1.0009235581251603
Energy: 1.0783857815227107
Energy: 0.9563948191439847
Energy: 1.0009235581251603
Energy: 1.0783857815206386
Energy: 0.9563948191439847
Energy: 1.0009235581251603
Energy: 1.0783857815206386
Energy: 0.9502764148070254
Energy: 0.9494947667088363
Energy: 0.9827211690631668
Energy: 0.9502764148090975
Energy: 0.9494947667088363
Energy: 0.9827211690652388
Energy: 0.9502764148090975
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Energy: 0.9827211690631668
Energy: 0.9502764148090975
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Energy: 1.0499573137909082
Energy: 0.9616780223058964
Energy: 1.028464458482785
Energy: 1.0499573137909082
Energy: 0.9616273651019327
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Energy: 1.0499573137909082
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Energy: 0.9779689243174203
Energy: 1.082844924356948
Energy: 0.9624607257405751
Energy: 0.9779689243174203
Energy: 1.082844924356948
Energy: 0.9624607257405751
Energy: 0.9818929137991854
Energy: 1.0412410071568787
Energy: 1.0279939019545834
Energy: 1.016947674828592
Energy: 1.0412410071548064
Energy: 1.0279939019545834
Energy: 0.9818929137991854
Energy: 1.0412410071568787
Energy: 1.0279939019545834
Energy: 1.016947674828592
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Energy: 0.9736587300721955
Energy: 0.9646927649119305
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Energy: 0.9754022742180611
Energy: 0.9736587300721955
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Energy: 0.9643800261107749
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Energy: 0.9839668093330647
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Energy: 0.9839668093351368
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Energy: 0.9643800261107749
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Energy: 0.9614877042598423
Energy: 0.998228096581372
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Energy: 0.9614877042598423
Energy: 0.998228096581372
Energy: 1.0106874729605306
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Energy: 0.998228096581372
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Energy: 1.0044984038928122
Energy: 0.9725218067825571
Energy: 1.1035750321807911
Energy: 1.0044984038928122
Energy: 0.9725218067825571
Energy: 1.1035750321807911
Energy: 1.00449840389074
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Energy: 1.1035750321807911
Energy: 1.00449840389074
Energy: 1.011442516877659
Energy: 1.0913617004067153
Energy: 0.9523214214067921
Energy: 1.011442516877659
Energy: 1.0913617004067153
Energy: 0.9523214214067921
Energy: 1.011442516877659
Energy: 1.0913617004067153
Energy: 0.9523214214067921
Energy: 1.011442516877659
Energy: 1.0052055343985844
Energy: 0.9982462027565482
Energy: 1.027009847058897
Energy: 1.0052000451292615
Energy: 0.9982363470573228
Energy: 1.0270098470568247
Energy: 1.0052055343985844
Energy: 0.9982462027544762
Energy: 1.027009847058897
Energy: 1.0052000451292615
Energy: 0.9568549210688668
Energy: 0.9593031804368971
Energy: 0.9376095184045031
Energy: 0.9568549210688668
Energy: 0.9593031804348251
Energy: 0.9376095184045031
Energy: 0.9568549210688668
Energy: 0.9593031804368971
Energy: 0.937609518402431
Energy: 0.9568549210709388
Energy: 1.0396755339659747
Energy: 1.0099602477232532
Energy: 1.0101755059479003
Energy: 1.0396755339659747
Energy: 1.0099602477232532
Energy: 1.0101755059479003
Energy: 1.0396755339639028
Energy: 1.0099602477232532
Energy: 1.0101755059499724
Energy: 1.0396755339639028
Energy: 0.9716181633400242
Energy: 1.0378966770467075
Energy: 1.0199064284833848
Energy: 0.9721534537345291
Energy: 1.0378966770467075
Energy: 1.0199064284833848
Energy: 0.9716181633400242
Energy: 1.0378966770467075
Energy: 1.0199064284833848
Energy: 0.9721534537345291
Energy: 1.0310495747400856
Energy: 0.942061227691147
Energy: 1.0206738243636932
Energy: 1.0310495747400856
Energy: 0.9420612276932191
Energy: 1.0206738243636932
Energy: 1.0310495747400856
Energy: 0.942061227691147
Energy: 1.0206738243636932
Energy: 1.0310495747400856
Energy: 0.9912896049388188
Energy: 0.9738569149287852
Energy: 1.1286305868441344
Energy: 0.9912896049388188
Energy: 0.9738569149287852
Energy: 1.1286305868441344
Energy: 0.9912896049388188
Energy: 0.9738569149287852
Energy: 1.1286305868441344
Energy: 0.9912896049388188
Energy: 1.0153295818682992
Energy: 0.9446221880405389
Energy: 1.0088867403435515
Energy: 1.014232204917838
Energy: 0.9439018404229912
Energy: 1.0088867403435515
Energy: 1.0153295818682992
Energy: 0.9446221880405389
Energy: 1.0088867403435515
Energy: 1.0142322049199104
Energy: 0.976418311348781
Energy: 0.9515342940346689
Energy: 1.0491149161444697
Energy: 0.976418311348781
Energy: 0.9515342940346689
Energy: 1.0491149161444697
Energy: 0.976418311348781
Energy: 0.9515342940346689
Energy: 1.0491149161444697
Energy: 0.976418311348781
Energy: 1.0188714595967112
Energy: 1.0497478403819391
Energy: 0.9660871271617821
Energy: 1.0188714595967112
Energy: 1.0497478403819391
Energy: 0.9662795398974314
Energy: 1.0188714595967112
Energy: 1.0497478403819391
Energy: 0.9660871271617821
Energy: 1.0188714595967112
Energy: 0.9431888258245078
Energy: 1.0470899428460023
Energy: 1.0862089372365376
Energy: 0.9431888258224356
Energy: 1.0470899428460023
Energy: 1.0862089372365376
Energy: 0.9431888258245078
Energy: 1.0470899428460023
Energy: 1.0862089372365376
Energy: 0.9431888258245078
Energy: 1.0094199845930358
Energy: 1.0796913161056723
Energy: 0.9933795689392128
Energy: 0.9743984897256798
Energy: 1.0796913161056723
Energy: 0.9933795689392128
Energy: 1.0094199845930358
Energy: 1.0796913161056723
Energy: 0.9933795689392128
Energy: 0.9743984897256798
Energy: 1.0096559747197986
Energy: 0.9624230049278418
Energy: 1.0643582505424591
Energy: 0.9745618540099129
Energy: 0.9624230049278418
Energy: 1.0707060262888375
Energy: 1.0096559747197986
Energy: 0.9624230049278418
Energy: 1.0643582505424591
Energy: 0.9745618540099129
Energy: 0.9433595963771272
Energy: 1.0371165656722325
Energy: 0.9793996396751514
Energy: 0.9433595963771272
Energy: 1.0371165656722325
Energy: 0.9793996396751514
Energy: 0.9433595963771272
Energy: 1.0371165656722325
Energy: 0.9793996396751514
Energy: 0.9433595963771272
Energy: 0.9551732708712143
Energy: 0.9678253652895903
Energy: 0.9560017391721629
Energy: 0.9551732708712143
Energy: 0.9678253652895903
Energy: 0.9560017391721629
Energy: 0.9551732708712143
Energy: 0.9678253652895903
Energy: 0.9560017391700909
Energy: 0.9551732708732864
Energy: 0.9768419901569987
Energy: 1.0863769453934975
Energy: 0.9451511328673728
Energy: 0.9768419901569987
Energy: 1.0863769453934975
Energy: 0.9452002851762776
Energy: 0.9768419901569987
Energy: 1.0863769453934975
Energy: 0.945151132869445
Energy: 0.9768419901569987
Energy: 1.113472989211841
Energy: 1.0244259470697499
Energy: 0.9472484884796881
Energy: 1.113472989211841
Energy: 1.0244259470697499
Energy: 0.9472484884796881
Energy: 1.113472989211841
Energy: 1.024425947067678
Energy: 0.9472484884796881
Energy: 1.113472989211841
Energy: 0.957727475059021
Energy: 1.0912043906988973
Energy: 0.9735509199317738
Energy: 0.957727475061093
Energy: 1.0912043906988973
Energy: 0.9735509199297018
Energy: 0.957727475059021
Energy: 1.0912043906988973
Energy: 0.9735509199297018
Energy: 0.957727475061093
Energy: 1.0841268146368233
Energy: 1.0240022824728778
Energy: 0.9435398464553894
Energy: 1.0841268146368233
Energy: 1.0240022824749497
Energy: 0.9435398464553894
Energy: 1.0841268146368233
Energy: 1.0240022824749497
Energy: 0.9435398464553894
Energy: 1.0841268146368233
Energy: 0.9720167671043124
Energy: 1.0338189889149711
Energy: 1.0101001067317066
Energy: 0.9720167671043124
Energy: 1.033818988912899
Energy: 1.0101001067317066
Energy: 0.9720167671043124
Energy: 1.033818988912899
Energy: 1.0101001067317066
Energy: 0.9720167671043124
Energy: 1.0607741013405443
Energy: 0.976473389037698
Energy: 0.9755943594749085
Energy: 1.0607741013405443
Energy: 0.976473389037698
Energy: 0.9755943594749085
Energy: 1.0607741013426162
Energy: 0.976473389037698
Energy: 0.9755943594749085
Energy: 1.0607741013384722
Energy: 0.9483654301632483
Energy: 0.9406519693904049
Energy: 1.0302546055633413
Energy: 0.9483654301632483
Energy: 0.9406519693904049
Energy: 1.0302546055633413
Energy: 0.9483654301632483
Energy: 0.9406519693904049
Energy: 1.0302546055633413
Energy: 0.9483654301632483
Energy: 0.9985930363568427
Energy: 1.0394855573232933
Energy: 0.9982771419882334
Energy: 0.9985930363568427
Energy: 1.0394855573253652
Energy: 0.9982771419882334
Energy: 0.9985930363589148
Energy: 1.0394855573232933
Energy: 0.9982771419882334
Energy: 0.9985930363568427
Energy: 0.9771755120844142
Energy: 0.9473031634490662
Energy: 0.9984883800549731
Energy: 0.9771755120844142
Energy: 0.947307964966505
Energy: 0.9984883800839445
Energy: 0.9771755120844142
Energy: 0.9473031634490662
Energy: 0.9984883800549731
Energy: 0.9771755120844142
Energy: 0.9762924989248408
Energy: 0.969242024538798
Energy: 1.0827814566465663
Energy: 0.9762924989269128
Energy: 0.969242024538798
Energy: 1.0827814566465663
Energy: 0.9762924989227687
Energy: 0.969242024538798
Energy: 1.0827814566465663
Energy: 0.9762924989248408
Energy: 0.9676494079483338
Energy: 0.9848917161790899
Energy: 0.9618940370468372
Energy: 0.9676494079483338
Energy: 0.984891716181162
Energy: 0.9621903999817611
Energy: 0.9676494079483338
Energy: 0.9848917161790899
Energy: 0.9618940370468372
Energy: 0.9676494079483338
Energy: 0.9432324998246132
Energy: 0.9878898432365848
Energy: 1.093770992937241
Energy: 0.9432324998246132
Energy: 0.9878898432365848
Energy: 1.093770992937241
Energy: 0.9432324998246132
Energy: 0.9878898432386569
Energy: 1.093770992937241
Energy: 0.9432324998246132
Energy: 0.9737476260601088
Energy: 1.077424845717407
Energy: 0.9568515226341376
Energy: 1.0092761399037813
Energy: 1.077424845717407
Energy: 0.9568515226341376
Energy: 0.9737476260580367
Energy: 1.077424845717407
Energy: 0.9568515226341376
Energy: 1.0092761399037813

minimum gb energy = 0.937609518402431 eV
minimum distance =  2.25523104948415 Angstroms
sigma value = 437


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

Energy: 0.9098770427230178
Energy: 0.9210858650954344
Energy: 0.9201470754866129
Energy: 0.9098770427230178
Energy: 0.9210858650954344
Energy: 0.9201470754851031
Energy: 0.9098770427230178
Energy: 0.9210858650954344
Energy: 0.9201470754866129
Energy: 0.9098770427230178
Energy: 0.9335019194733793
Energy: 0.8878131561169179
Energy: 0.9012962913251223
Energy: 0.9335019194711146
Energy: 0.8878131561169179
Energy: 0.9012962913258773
Energy: 0.9335019194748889
Energy: 0.8878131561169179
Energy: 0.9012962913251223
Energy: 0.9335019194748889
Energy: 1.0068430507094388
Energy: 0.8796699760338926
Energy: 1.0897409714763997
Energy: 1.006843050708684
Energy: 0.8796699760346477
Energy: 1.0897409727486007
Energy: 1.006843050708684
Energy: 0.8796699760346477
Energy: 1.0897409695417113
Energy: 1.006843050708684
Energy: 1.000317856708755
Energy: 1.004892316028357
Energy: 0.9352684303115198
Energy: 1.000317856708755
Energy: 1.0048923160713858
Energy: 0.9352684303107649
Energy: 1.000317856708755
Energy: 1.0048923160645917
Energy: 0.9352684303115198
Energy: 1.00031785670951
Energy: 0.9349933795234642
Energy: 0.8969925088706173
Energy: 0.9848189645656343
Energy: 0.9349933795227091
Energy: 0.8969925088706173
Energy: 0.9848189645656343
Energy: 0.9349933795234642
Energy: 0.8969925088706173
Energy: 0.9848189645648795
Energy: 0.9349933795227091
Energy: 0.9352834228376652
Energy: 1.0359162686055845
Energy: 0.887601527535412
Energy: 0.9352834228376652
Energy: 1.0359162686048295
Energy: 0.887601527535412
Energy: 0.9352834228376652
Energy: 1.0359162686048295
Energy: 0.887601527535412
Energy: 0.9352834228376652
Energy: 0.933144895931857
Energy: 0.9085496109225873
Energy: 0.8796931357856494
Energy: 0.9331448959341216
Energy: 0.9085496109225873
Energy: 0.8796931357856494
Energy: 0.9331448959311022
Energy: 0.9085496109225873
Energy: 0.8796931357856494
Energy: 0.9331448959348765
Energy: 0.9201906115777131
Energy: 1.0548298397461904
Energy: 0.8934662111590584
Energy: 0.9201906115777131
Energy: 1.0548298397461904
Energy: 0.8934662111598133
Energy: 0.9201906115769584
Energy: 1.0548298397461904
Energy: 0.8934662111590584
Energy: 0.9201906115777131
Energy: 1.0312625886059121
Energy: 0.898023879259419
Energy: 0.8967722615381811
Energy: 1.031262588605157
Energy: 0.8980238792601738
Energy: 0.8967722615381811
Energy: 1.0312625886059121
Energy: 0.898023879259419
Energy: 0.8967722615381811
Energy: 1.0312625886059121
Energy: 0.9986689367493295
Energy: 0.921074226725946
Energy: 0.9957639069516873
Energy: 0.9986689367478196
Energy: 0.921074226725946
Energy: 0.9957568877636742
Energy: 0.9986689367470648
Energy: 0.921074226725946
Energy: 0.995763951201233
Energy: 0.9986689367470648
Energy: 0.9759756717585695
Energy: 0.9757340243718811
Energy: 0.9212274260590745
Energy: 0.9759756717585695
Energy: 0.9757340243718811
Energy: 0.9212274260583196
Energy: 0.9759756717585695
Energy: 0.9757340243718811
Energy: 0.9212274260590745
Energy: 0.9759756717585695
Energy: 0.9299840959612198
Energy: 0.8911286615720416
Energy: 0.8917364436379831
Energy: 0.9299840959612198
Energy: 0.8911286615720416
Energy: 0.8917364436372283
Energy: 0.9299840959612198
Energy: 0.8911286615720416
Energy: 0.8917364436379831
Energy: 0.9299840959612198
Energy: 0.8969394597672058
Energy: 1.068939617820366
Energy: 0.8969153111406156
Energy: 0.8969394597672058
Energy: 1.068939617819611
Energy: 0.8969153111413705
Energy: 0.8969394597672058
Energy: 1.068939617819611
Energy: 0.8969153111406156
Energy: 0.8969394597672058
Energy: 0.9015835358157638
Energy: 0.8890965241610881
Energy: 0.8956854422334037
Energy: 0.9015835358157638
Energy: 0.8890965241610881
Energy: 0.8956854422334037
Energy: 0.9015835358157638
Energy: 0.8890965241610881
Energy: 0.8956854422334037
Energy: 0.9015835358157638

minimum gb energy = 0.8796699760338926 eV
minimum distance =  2.29262977102421 Angstroms
sigma value = 33