Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.491938583552837
cohesive_energy=4.443733403167747
mass=58.6934
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: -8.48587922344666e-25 eV

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

Energy: 0.020844083278460452
Energy: 0.5348615695000305
Energy: 0.5348615695000305
Energy: 0.020844083278460452
Energy: 0.5348615695000305
Energy: 0.5348615695000305
Energy: 0.020844083278460452
Energy: 0.5348615695000305
Energy: 0.5348615695000305
Energy: 0.020844083278460452
Energy: 0.5316635231096472
Energy: 0.02572631512147584
Energy: 0.5314231487205879
Energy: 0.5316635231096472
Energy: 0.02572631512147584
Energy: 0.5314231487205879
Energy: 0.5316635231096472
Energy: 0.02572631512147584
Energy: 0.5314231487205879
Energy: 0.5316635231111964
Energy: 1.1516047779747403
Energy: 0.3248129292023312
Energy: 0.8090638077827007
Energy: 1.1516051000276037
Energy: 0.9261753205831222
Energy: 0.3248129292023312
Energy: 1.1516154067120143
Energy: 0.021126852655816455
Energy: 0.3248129292023312
Energy: 1.151615988763099
Energy: 0.5316635231111964
Energy: 0.5314231487205879
Energy: 0.02572631512147584
Energy: 0.5316635231111964
Energy: 0.5314231487205879
Energy: 0.02572631512147584
Energy: 0.5316635231111964
Energy: 0.5314231487205879
Energy: 0.02572631512147584
Energy: 0.5316635231111964
Energy: 0.020844083278460452
Energy: 0.5348615695000305
Energy: 0.5348615695000305
Energy: 0.020844083278460452
Energy: 0.5348615695000305
Energy: 0.5348615695000305
Energy: 0.020844083278460452
Energy: 0.5348615695000305
Energy: 0.5348615695000305
Energy: 0.020844083278460452
Energy: 0.5316635231111964
Energy: 0.02572631512147584
Energy: 0.5314231487205879
Energy: 0.5316635231096472
Energy: 0.02572631512147584
Energy: 0.5314231487205879
Energy: 0.5316635231111964
Energy: 0.02572631512147584
Energy: 0.5314231487205879
Energy: 0.5316635231111964
Energy: 1.1516004036166878
Energy: 0.3248129292023312
Energy: 0.5653593597533757
Energy: 1.1515706001512602
Energy: 1.0059418828997173
Energy: 0.999586589022175
Energy: 1.151567693745538
Energy: 0.8634073060243156
Energy: 1.0059418828997173
Energy: 1.1515493852682093

minimum gb energy = 0.020844083278460452 eV
minimum distance =  2.27835720657828 Angstroms
sigma value = 3


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

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Energy: 1.5714742854331973
Energy: 1.5712463840792081
Energy: 1.1759748676829944
Energy: 1.5714742854331973
Energy: 1.5712463840792081
Energy: 1.3319700484521426
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Energy: 1.1759748676829944
Energy: 1.3389672264910901
Energy: 1.2712954857517722
Energy: 1.5227453813048082
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Energy: 1.3467752038369674
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Energy: 1.577507496251178
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Energy: 1.2710553020468165
Energy: 1.577507496251178
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Energy: 1.7150332414127005
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Energy: 1.1761963182356459
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Energy: 1.5557744055694125
Energy: 1.5522303963159905
Energy: 1.1216407592460498
Energy: 1.5566354226455248
Energy: 1.5520331857960923
Energy: 1.1216407592422553
Energy: 1.5557744055694125
Energy: 1.5522303963121957
Energy: 1.1216407592460498
Energy: 1.6309447036160396
Energy: 1.1768519919287668
Energy: 1.627991429217121
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Energy: 1.6279914292133264
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Energy: 1.3058864077380892
Energy: 1.6505843684990993
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Energy: 1.3058864077380892
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Energy: 1.3058864077380892
Energy: 1.4016290042474273
Energy: 1.5791337262016167
Energy: 1.2713995281609183
Energy: 1.4016290042474273
Energy: 1.5791337262016167
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Energy: 1.5791337262016167
Energy: 1.2713995281609183
Energy: 1.4016290042436328
Energy: 1.2813318384869579
Energy: 1.5714742854331973
Energy: 1.5712463840792081
Energy: 1.1759748676829944
Energy: 1.5714742854331973
Energy: 1.5712463840792081
Energy: 1.2813318384831631
Energy: 1.5714742854331973
Energy: 1.5712463840754136
Energy: 1.1759748676791997
Energy: 1.3389672264835004
Energy: 1.2712954857517722
Energy: 1.5227453813048082
Energy: 1.3389672264948846
Energy: 1.2712954857517722
Energy: 1.5227453813010132
Energy: 1.3389672264910901
Energy: 1.2712954857517722
Energy: 1.5227453813010132
Energy: 1.3389672264910901
Energy: 1.3842135046109125
Energy: 1.5042254265633321
Energy: 1.536096786249664
Energy: 1.4005962623106312
Energy: 1.5042254265557429
Energy: 1.5360967860183234
Energy: 1.3842135046109125
Energy: 1.5042254265595376
Energy: 1.5360967861548644
Energy: 1.4005962623106312
Energy: 1.5716904596653913
Energy: 1.6821911515605834
Energy: 1.1763617835888909
Energy: 1.5716904596653913
Energy: 1.6821911515605834
Energy: 1.1763617835888909
Energy: 1.5716904596653913
Energy: 1.6821911515605834
Energy: 1.1763617835888909
Energy: 1.5716904596653913

minimum gb energy = 1.1213154038351119 eV
minimum distance =  2.30295104719314 Angstroms
sigma value = 75


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

Energy: 1.6596098471074014
Energy: 1.3073785644127516
Energy: 1.3077358928550131
Energy: 1.5184175461527003
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minimum gb energy = 1.3070652429133252 eV
minimum distance =  2.20251416518106 Angstroms
sigma value = 105


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

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Energy: 1.6119406200561017
Energy: 1.5221245477517904
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Energy: 1.5587993508646951
Energy: 1.510900899858702
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Energy: 1.5334486067224298
Energy: 1.4841165816015731
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Energy: 1.552309038912195
Energy: 1.4521017771869384
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Energy: 1.623706975349059
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Energy: 1.6730009801613153
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Energy: 1.584526984381495
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Energy: 1.513918948215769
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Energy: 1.538084313958272
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Energy: 1.5160563998502505
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Energy: 1.6549219622651286
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Energy: 1.5751770766275837
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Energy: 1.5751770766296727
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Energy: 1.586037012600854
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Energy: 1.5273631647212398
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Energy: 1.7503983646604657
Energy: 1.47774869622204
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Energy: 1.7502915003903223
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Energy: 1.5383353005587104
Energy: 1.6124897423703708
Energy: 1.5024493977881521
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Energy: 1.6124897423703708
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Energy: 1.6124897423703708
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Energy: 1.5383353005587104
Energy: 1.4921225306176715
Energy: 1.51245493831365
Energy: 1.5742870554819017
Energy: 1.4921225306197605
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Energy: 1.5742870554839907
Energy: 1.4921225306197605
Energy: 1.51245493831365
Energy: 1.5742870554839907
Energy: 1.4921225306176715
Energy: 1.5366129858164048
Energy: 1.5171503433689042
Energy: 1.638774828111195
Energy: 1.5366129858143158
Energy: 1.5171503433709932
Energy: 1.638774828111195
Energy: 1.5366129858143158
Energy: 1.5171503433689042
Energy: 1.638774828111195
Energy: 1.5366129858164048
Energy: 1.5268050345322077
Energy: 1.5274656696605813
Energy: 1.5651062422941129
Energy: 1.5268050345342967
Energy: 1.5274823411785425
Energy: 1.5651062422920239
Energy: 1.5268050345342967
Energy: 1.5274656696605813
Energy: 1.5651062422920239
Energy: 1.5268050345342967
Energy: 1.6430914424439411
Energy: 1.5275601639351921
Energy: 1.5110031593201907
Energy: 1.6430914424439411
Energy: 1.5275570741877873
Energy: 1.5110031593201907
Energy: 1.6430914424439411
Energy: 1.5275601639351921
Energy: 1.5110031593201907
Energy: 1.6430914424439411
Energy: 1.4784506381028755
Energy: 1.5866492617944943
Energy: 1.5351942149949314
Energy: 1.4784506381007865
Energy: 1.5866492617944943
Energy: 1.5351942149949314
Energy: 1.4784506381028755
Energy: 1.5866492617944943
Energy: 1.5351942149949314
Energy: 1.4784506381028755
Energy: 1.5669563380978675
Energy: 1.6394313130672715
Energy: 1.5417441127542564
Energy: 1.5669563380978675
Energy: 1.6396700954123988
Energy: 1.5417441127542564
Energy: 1.5669563380978675
Energy: 1.6394313130672715
Energy: 1.5417441127542564
Energy: 1.5669563380999565
Energy: 1.4494616787836891
Energy: 1.5040731722106255
Energy: 1.5623683190387827
Energy: 1.4494616787836891
Energy: 1.5041445737739387
Energy: 1.5623683190387827
Energy: 1.4494616787836891
Energy: 1.5040731722106255
Energy: 1.5623683190387827
Energy: 1.458228551391476
Energy: 1.5105572076950962
Energy: 1.5008006498026227
Energy: 1.6406608871770951
Energy: 1.5105572076971467
Energy: 1.5010080554880407
Energy: 1.6406608871770951
Energy: 1.5105572076950962
Energy: 1.5008006498026227
Energy: 1.6406608871770951
Energy: 1.5105572076950962

minimum gb energy = 1.4494616787836891 eV
minimum distance =  2.27339795315903 Angstroms
sigma value = 165


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

Energy: 1.4287679743634563
Energy: 1.5383844460845117
Energy: 1.5382721423163535
Energy: 1.4287679743634563
Energy: 1.5383844460845117
Energy: 1.538272142349342
Energy: 1.4287679743634563
Energy: 1.5383844460837943
Energy: 1.5382721423256764
Energy: 1.4287679743641732
Energy: 1.4277884692088427
Energy: 1.4418919877648744
Energy: 1.588118648106921
Energy: 1.42778846920956
Energy: 1.4418919877641574
Energy: 1.5887141987117854
Energy: 1.42778846920956
Energy: 1.4418919877648744
Energy: 1.587832328058065
Energy: 1.4277884692088427
Energy: 1.523059835991464
Energy: 1.6129290379822385
Energy: 1.397459823707041
Energy: 1.5230598359900296
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Energy: 1.397459832744711
Energy: 1.523059835991464
Energy: 1.6129291653277378
Energy: 1.3974598389451311
Energy: 1.523059835990747
Energy: 1.5380371476802752
Energy: 1.5361159298338931
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Energy: 1.5361159298331757
Energy: 1.4424594277352014
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Energy: 1.5165607162464614
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Energy: 1.5188503449132447
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Energy: 1.4403707907300292
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Energy: 1.4403285655995017
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Energy: 1.4403285656002187
Energy: 1.4403707907300292
Energy: 1.6370277403827673
Energy: 1.5379456547789856
Energy: 1.5382708521348223
Energy: 1.5973527429502188
Energy: 1.53794565478042
Energy: 1.5382708521756991
Energy: 1.5973527429509358
Energy: 1.5379456547789856
Energy: 1.538270852174265
Energy: 1.5973527429502188
Energy: 1.5379456547797028
Energy: 1.4418909092358352
Energy: 1.538587933661634
Energy: 1.5860503028552844
Energy: 1.4418909092358352
Energy: 1.538587933661634
Energy: 1.5860503085718987
Energy: 1.4418909092358352
Energy: 1.538587933661634
Energy: 1.5860503077668813
Energy: 1.4418909092358352
Energy: 1.5179017916563207
Energy: 1.5188483612031587
Energy: 1.5765292548934173
Energy: 1.5179017916570379
Energy: 1.5188483612010073
Energy: 1.5765292548934173
Energy: 1.5179017916563207
Energy: 1.5188483612017245
Energy: 1.5765292550790901
Energy: 1.5179017916563207
Energy: 1.5382597185307798
Energy: 1.442674495282087
Energy: 1.5355886099812242
Energy: 1.5382597185307798
Energy: 1.4426744952813697
Energy: 1.5355886099812242
Energy: 1.5382597185307798
Energy: 1.442674495282087
Energy: 1.5355886099812242
Energy: 1.5382597185307798
Energy: 1.5227450518783758
Energy: 1.3974523260418688
Energy: 1.6128634013115197
Energy: 1.5227450518762244
Energy: 1.397452325117872
Energy: 1.6128455673051874
Energy: 1.5227450518769416
Energy: 1.3974523256175198
Energy: 1.6128257911597559
Energy: 1.5227450518755072
Energy: 1.4278999506026337
Energy: 1.5847873892153221
Energy: 1.4419998923937896
Energy: 1.4278999506026337
Energy: 1.5847873923169338
Energy: 1.4419998923930726
Energy: 1.427899950603351
Energy: 1.5847873892189077
Energy: 1.4419998923937896
Energy: 1.4278999506026337
Energy: 1.4287679743634563
Energy: 1.5383844460845117
Energy: 1.538272142361533
Energy: 1.4287679743634563
Energy: 1.5383844460837943
Energy: 1.538272142318505
Energy: 1.4287679743634563
Energy: 1.5383844460845117
Energy: 1.538272142349342
Energy: 1.4287679743634563

minimum gb energy = 1.397452325117872 eV
minimum distance =  2.27651894917553 Angstroms
sigma value = 41


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

Energy: 1.575574736814866
Energy: 1.4206370824922967
Energy: 1.4210564047403464
Energy: 1.5311161488190328
Energy: 1.4206370824922967
Energy: 1.4210564047403464
Energy: 1.575574736814866
Energy: 1.4206370824922967
Energy: 1.4210564047403464
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Energy: 1.4044754275349074
Energy: 1.2709633115894226
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Energy: 1.2709633115894226
Energy: 1.4358328923092947
Energy: 1.4044754275349074
Energy: 1.359791581588846
Energy: 1.261228780972186
Energy: 1.3147201615641742
Energy: 1.3860232591880477
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Energy: 1.3044486490256777
Energy: 1.396660252841335
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Energy: 1.3044609565302951
Energy: 1.3911499656133242
Energy: 1.2935291375009095
Energy: 1.2928166760664495
Energy: 1.2993013894774075
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Energy: 1.292816676063667
Energy: 1.2988871737543228
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Energy: 1.2993013894774075
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Energy: 1.5700443891774603
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Energy: 1.5700443891774603
Energy: 1.295148331841596
Energy: 1.3225084255143262
Energy: 1.2850381574595207
Energy: 1.3554595129890195
Energy: 1.3639529331263993
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Energy: 1.3554595129918017
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Energy: 1.3554595129918017
Energy: 1.3639529331263993
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Energy: 1.280972355540726
Energy: 1.2607283770398852
Energy: 1.4328400999352686
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Energy: 1.4328400999352686
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Energy: 1.288294477054923
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Energy: 1.2883000336685677
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Energy: 1.3653414594440134
Energy: 1.38450575829872
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Energy: 1.365341459430101
Energy: 1.3845057580317586
Energy: 1.2958023666657001
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Energy: 1.2772304319881265
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Energy: 1.2767123889583538
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Energy: 1.3037255048423109
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Energy: 1.3031934310450146
Energy: 1.2767123889611363
Energy: 1.2800911657128557
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Energy: 1.2800911657128557
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Energy: 1.2800911657128557
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Energy: 1.2811276844684796
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Energy: 1.4543172868339111
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Energy: 1.3642409707078338
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Energy: 1.3642409706855745
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Energy: 1.364240970682792
Energy: 1.3930245299782096
Energy: 1.3524494899825508
Energy: 1.3016435689890613
Energy: 1.2954318294176814
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Energy: 1.2802354289021252
Energy: 1.352450217475723
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Energy: 1.2802354289021252
Energy: 1.3524501680372454
Energy: 1.3039979906250116
Energy: 1.3031291392351196
Energy: 1.2772560392933103
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Energy: 1.3031291392323372
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Energy: 1.2748003045900624
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Energy: 1.391079678933505
Energy: 1.2748003045900624
Energy: 1.3438798398763743
Energy: 1.5698280534434748
Energy: 1.354790282682902
Energy: 1.365370559159113
Energy: 1.5293758874118413
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Energy: 1.5698280534434748
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Energy: 1.5293758874118413
Energy: 1.4493747079338317
Energy: 1.2598764904474289
Energy: 1.3869868053091163
Energy: 1.4493747079338317
Energy: 1.2598764904474289
Energy: 1.3869868053091163
Energy: 1.4493747079338317
Energy: 1.2598764904502116
Energy: 1.3869868053091163
Energy: 1.4493747079338317
Energy: 1.3780192867696381
Energy: 1.2750851959173306
Energy: 1.2807052616110277
Energy: 1.3780192867696381
Energy: 1.2750851959145482
Energy: 1.280718963232743
Energy: 1.3780192867696381
Energy: 1.2750851959145482
Energy: 1.2807052616110277
Energy: 1.3780192867696381
Energy: 1.378741797381284
Energy: 1.3769294122043272
Energy: 1.2886130631771526
Energy: 1.378741797381284
Energy: 1.3769294122043272
Energy: 1.2885559265740023
Energy: 1.378741797381284
Energy: 1.3769294122043272
Energy: 1.2886130631743702
Energy: 1.378741797381284
Energy: 1.2977053757405708
Energy: 1.6274285309979468
Energy: 1.3225365541288976
Energy: 1.2977053757377883
Energy: 1.6274285309951644
Energy: 1.3225365541288976
Energy: 1.2977053757377883
Energy: 1.6274285309979468
Energy: 1.3225365541288976
Energy: 1.2977053757405708
Energy: 1.3047030456863749
Energy: 1.2945889684671863
Energy: 1.2950596005258086
Energy: 1.3047030456863749
Energy: 1.2945889684671863
Energy: 1.2950596005258086
Energy: 1.3047030456863749
Energy: 1.2945889684671863
Energy: 1.2950596005230262
Energy: 1.3047030456863749
Energy: 1.2975345673890226
Energy: 1.3800122750198445
Energy: 1.3786593362694335
Energy: 1.2975345673890226
Energy: 1.3800122750198445
Energy: 1.378659336272216
Energy: 1.2975345673890226
Energy: 1.3800122750198445
Energy: 1.378659336272216
Energy: 1.2975345673890226
Energy: 1.4340853719771813
Energy: 1.2663803383694598
Energy: 1.3730579677174162
Energy: 1.434085371974399
Energy: 1.2663803383694598
Energy: 1.3730579677174162
Energy: 1.434085371974399
Energy: 1.2663803383694598
Energy: 1.3730579677174162
Energy: 1.434085371974399
Energy: 1.4315351983798432
Energy: 1.4234310126900869
Energy: 1.5310767898807291
Energy: 1.4315351983798432
Energy: 1.4234310126900869
Energy: 1.5310767898807291
Energy: 1.4315351983798432
Energy: 1.4234310126900869
Energy: 1.5310767898807291
Energy: 1.4315351983798432
Energy: 1.2766907874795141
Energy: 1.5023289732700214
Energy: 1.335984322733011
Energy: 1.2766907874795141
Energy: 1.5036758114620186
Energy: 1.3359843227302284
Energy: 1.2766907874795141
Energy: 1.5023289732700214
Energy: 1.335984322733011
Energy: 1.2766907874795141
Energy: 1.2836198593173507
Energy: 1.303452867523543
Energy: 1.306315088187712
Energy: 1.2836198593201331
Energy: 1.303468457861277
Energy: 1.3058064713612163
Energy: 1.2836198593201331
Energy: 1.303452867523543
Energy: 1.306315088187712
Energy: 1.2836198593173507
Energy: 1.2791355229451582
Energy: 1.2997484193731472
Energy: 1.2938583113388376
Energy: 1.2791355229451582
Energy: 1.2997509793355133
Energy: 1.2938583113416198
Energy: 1.2791355229451582
Energy: 1.2997484193759297
Energy: 1.2938583114667785
Energy: 1.2791355229451582
Energy: 1.452396889589239
Energy: 1.2941162508185398
Energy: 1.3718079644272263
Energy: 1.4523968895781092
Energy: 1.2941177802629509
Energy: 1.3718079644300087
Energy: 1.4523968895864565
Energy: 1.2941162508185398
Energy: 1.3718079644272263
Energy: 1.4523968895920212
Energy: 1.4294765743901512
Energy: 1.4173845419404125
Energy: 1.28243127537053
Energy: 1.358988639639015
Energy: 1.4189916868552441
Energy: 1.28243127537053
Energy: 1.35898863964458
Energy: 1.4304103355052424
Energy: 1.2824312753733125
Energy: 1.3589886395834172

minimum gb energy = 1.2591536499731704 eV
minimum distance =  2.23236003692084 Angstroms
sigma value = 185


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

Energy: 1.208584022337153
Energy: 0.7158510992304432
Energy: 0.7151835351707561
Energy: 0.8143187364051911
Energy: 0.7158510992297826
Energy: 0.7151835351703958
Energy: 1.208584022337153
Energy: 0.7158510992301431
Energy: 0.7151835351703958
Energy: 0.8143187364051911
Energy: 1.1000924659182352
Energy: 0.7037036564569773
Energy: 0.9520135547970521
Energy: 0.9736368550089716
Energy: 0.7037036564576379
Energy: 1.1025343961268068
Energy: 1.1000924659178748
Energy: 0.7037036564579382
Energy: 0.9520135547957308
Energy: 0.9736368550079508
Energy: 0.86838286643167
Energy: 0.728001865085936
Energy: 0.8640842756911405
Energy: 0.9310680147469972
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Energy: 0.8135295871747645
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Energy: 0.8640842756915009
Energy: 0.931068014746697
Energy: 1.158120432201058
Energy: 0.7166122231365941
Energy: 0.9988530655489227
Energy: 1.1581204322007577
Energy: 0.7166122231369544
Energy: 0.923137902121515
Energy: 1.1581204322000973
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Energy: 0.998853065549223
Energy: 1.1581204322003975
Energy: 0.7155662909000855
Energy: 0.7048820947511909
Energy: 0.8668382910490827
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Energy: 0.7048820947514912
Energy: 0.6903913614646598
Energy: 0.7155662908997852
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Energy: 0.8668382910484221
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Energy: 0.9690713353541176
Energy: 0.9567324067502184
Energy: 1.0501173008505695
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Energy: 0.9140644361430647
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Energy: 0.9690713359335036
Energy: 0.956732406749558
Energy: 1.0501173008495484
Energy: 0.7146642056087413
Energy: 0.9565788365864539
Energy: 1.170481789731879
Energy: 0.7146642056097021
Energy: 1.0072359056279299
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Energy: 0.7146642056100625
Energy: 0.9565788365864539
Energy: 1.1704817897312187
Energy: 0.7146642056087413
Energy: 1.0318039729868334
Energy: 0.9218789153137671
Energy: 0.7331973916330327
Energy: 1.0318039729858124
Energy: 0.9214900619025433
Energy: 0.7331973916336932
Energy: 1.0318039729855122
Energy: 0.9218789153124459
Energy: 0.7331973916330327
Energy: 1.0318039729864728
Energy: 0.828631159094035
Energy: 1.0397420441180607
Energy: 0.7158001884480084
Energy: 0.8258041754203603
Energy: 0.9970057578270407
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Energy: 0.828631159094035
Energy: 1.0397420441190817
Energy: 0.7158001884483086
Energy: 0.8258041754414989
Energy: 0.9313379165633704
Energy: 0.8990189735643025
Energy: 0.7039403732715962
Energy: 0.8057381525854662
Energy: 0.7968441788897497
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Energy: 0.9313379165623495
Energy: 0.8990189735656238
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Energy: 0.805738152585106
Energy: 0.9811220856280981
Energy: 1.1193448930146308
Energy: 0.7054139451845461
Energy: 0.9823877692890275
Energy: 1.1193448930146308
Energy: 0.7054139451852067
Energy: 0.9811220856277378
Energy: 1.1193448930139704
Energy: 0.7054139451858673
Energy: 0.9823877692886671
Energy: 0.7974793728335368
Energy: 0.7158510992304432
Energy: 0.7151835351703958
Energy: 0.8147335417304046
Energy: 0.7158510992297826
Energy: 0.7151835351707561
Energy: 0.7974793728335368
Energy: 0.7158510992301431
Energy: 0.7151835351703958
Energy: 0.8147335417304046
Energy: 1.014279129414601
Energy: 0.7037036564572777
Energy: 0.8642174773142752
Energy: 0.9298904792516941
Energy: 0.7037036564576379
Energy: 0.8639548785299503
Energy: 1.0142791294142404
Energy: 0.7037036564582985
Energy: 0.8642312127588642
Energy: 0.9298904792503729
Energy: 0.9312520013007182
Energy: 0.7280018650862964
Energy: 0.761349964560541
Energy: 0.8058325407610044
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Energy: 0.8643507551036673
Energy: 0.9312520013007182
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Energy: 0.761349964560541
Energy: 0.8058325407610044
Energy: 1.1581204322007577
Energy: 0.7166122231365941
Energy: 0.9571679610261409
Energy: 1.158120432201058
Energy: 0.7166122231369544
Energy: 1.0077767001766402
Energy: 1.1581204322003975
Energy: 0.7166122231372547
Energy: 0.9571679610261409
Energy: 1.1581204322003975
Energy: 0.7155662909000855
Energy: 0.7048820947511909
Energy: 0.9214053678842457
Energy: 0.7155662909000855
Energy: 0.7048820947511909
Energy: 0.9220774481462528
Energy: 0.7155662908997852
Energy: 0.7048820947511909
Energy: 0.9214053678832849
Energy: 0.7155662908997852
Energy: 1.0501173008495484
Energy: 0.9334973529972669
Energy: 1.049686144077725
Energy: 1.0501173008508695
Energy: 1.0702786377190903
Energy: 0.9140644361430647
Energy: 1.0501173008505695
Energy: 0.933497352996246
Energy: 1.0496861440770642
Energy: 1.0501173008492481
Energy: 0.7146642056087413
Energy: 0.9140940047004134
Energy: 1.170481789731879
Energy: 0.7146642056097021
Energy: 0.9569331918107954
Energy: 1.170481789731879
Energy: 0.7146642056097021
Energy: 0.9140940047004134
Energy: 1.170481789731519
Energy: 0.7146642056087413
Energy: 1.0318039729871338
Energy: 0.6906301636055314
Energy: 0.7331973916330327
Energy: 1.0318039729858124
Energy: 0.8666962043028715
Energy: 0.7331973916336932
Energy: 1.0318039729858124
Energy: 0.690630163605171
Energy: 0.7331973916333929
Energy: 1.0318039729864728
Energy: 1.0194643227639315
Energy: 0.9632567914083594
Energy: 0.7158001884480084
Energy: 0.8830937875346707
Energy: 0.9978280240827366
Energy: 0.7158001884480084
Energy: 1.019464322763271
Energy: 0.9632567914087197
Energy: 0.7158001884480084
Energy: 0.8830937875353313
Energy: 0.8684439643579593
Energy: 0.8479115446200062
Energy: 0.7039403732715962
Energy: 0.9311319089311286
Energy: 0.8990715624285363
Energy: 0.7039403732715962
Energy: 0.8684439643569987
Energy: 0.847911544618685
Energy: 0.7039403732719565
Energy: 0.9311319089308283
Energy: 1.0983667840895566
Energy: 1.1193448930146308
Energy: 0.7054139451848465
Energy: 0.9710601059918286
Energy: 1.1193448930146308
Energy: 0.7054139451852067
Energy: 1.0983667840895566
Energy: 1.11934489301367
Energy: 0.7054139451858673
Energy: 0.9710601059918286
Energy: 1.208584022337153
Energy: 0.7158510992304432
Energy: 0.7151835351707561
Energy: 0.8143187364051911
Energy: 0.7158510992297826
Energy: 0.7151835351703958
Energy: 1.2085840223367925
Energy: 0.7158510992301431
Energy: 0.7151835351700956
Energy: 0.8143187364051911
Energy: 1.1000924659178748
Energy: 0.7037036564572777
Energy: 0.9520135548029971
Energy: 0.9736368550089716
Energy: 0.7037036564579382
Energy: 1.1025343961268068
Energy: 1.1000924659178748
Energy: 0.7037036564582985
Energy: 0.9520135548016759
Energy: 0.9736368550086114
Energy: 0.86838286643167
Energy: 0.7280018650862964
Energy: 0.8640842756911405
Energy: 0.9310680147469972
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Energy: 0.8135295871747645
Energy: 0.8683828664310094
Energy: 0.728001865085936
Energy: 0.8640842756915009
Energy: 0.9310680147463367
Energy: 1.1581204322007577
Energy: 0.7166122231369544
Energy: 0.9988530655489227
Energy: 1.1581204322007577
Energy: 0.7166122231369544
Energy: 0.923137902121515
Energy: 1.1581204322003975
Energy: 0.7166122231376149
Energy: 0.998853065549223
Energy: 1.1581204322003975
Energy: 0.7155662908997852
Energy: 0.7048820947511909
Energy: 0.8668382910490827
Energy: 0.7155662909000855
Energy: 0.7048820947511909
Energy: 0.6903913614646598
Energy: 0.7155662908997852
Energy: 0.7048820947511909
Energy: 0.8668382910484221
Energy: 0.7155662908997852
Energy: 1.0501173008499087
Energy: 0.9690713375436297
Energy: 0.9567324067502184
Energy: 1.0501173008508695
Energy: 0.9512180975962622
Energy: 0.9140644361430647
Energy: 1.0501173008505695
Energy: 0.9690713370949179
Energy: 0.956732406749558
Energy: 1.0501173008495484
Energy: 0.7146642056090415
Energy: 0.9565788365864539
Energy: 1.1704817897321795
Energy: 0.7146642056097021
Energy: 1.0072359056282298
Energy: 1.170481789731879
Energy: 0.7146642056100625
Energy: 0.9565788365864539
Energy: 1.1704817897312187
Energy: 0.7146642056087413
Energy: 1.0318039729868334
Energy: 0.9218789153137671
Energy: 0.7331973916330327
Energy: 1.0318039729858124
Energy: 0.9214900619021829
Energy: 0.7331973916336932
Energy: 1.031803972986173
Energy: 0.9218789153128062
Energy: 0.7331973916333929
Energy: 1.0318039729868334
Energy: 0.828631159094035
Energy: 1.0397420441177605
Energy: 0.7158001884480084
Energy: 0.8258041754493657
Energy: 0.9970057578270407
Energy: 0.7158001884480084
Energy: 0.828631159094035
Energy: 1.0397420441193819
Energy: 0.7158001884480084
Energy: 0.8258041754553108
Energy: 0.93133791656301
Energy: 0.8990189735646629
Energy: 0.7039403732715962
Energy: 0.8057381525854662
Energy: 0.7968441788894494
Energy: 0.7039403732715962
Energy: 0.9313379165623495
Energy: 0.8990189735653235
Energy: 0.7039403732719565
Energy: 0.805738152585106
Energy: 0.9811220856277378
Energy: 1.1193448930143306
Energy: 0.7054139451848465
Energy: 0.9823877692890275
Energy: 1.1193448930149912
Energy: 0.7054139451852067
Energy: 0.9811220856277378
Energy: 1.1193448930143306
Energy: 0.7054139451858673
Energy: 0.9823877692886671

minimum gb energy = 0.6903913614646598 eV
minimum distance =  2.32051235994085 Angstroms
sigma value = 33


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

Energy: 1.2611094853430034
Energy: 1.267252023492043
Energy: 1.2662087918077705
Energy: 1.2293324699544146
Energy: 1.267252023492043
Energy: 1.2662087918059572
Energy: 1.2611094853411902
Energy: 1.267252023493856
Energy: 1.2662087918077705
Energy: 1.2293324699544146
Energy: 1.2889658478988353
Energy: 1.2054814559088043
Energy: 1.2574425203188726
Energy: 1.288965847897022
Energy: 1.2054814559088043
Energy: 1.2574425203170594
Energy: 1.288965847897022
Energy: 1.2054814559088043
Energy: 1.2574425203188726
Energy: 1.288965847897022
Energy: 1.2573931940255492
Energy: 1.1525631941363776
Energy: 1.1685618708075494
Energy: 1.2836806639232008
Energy: 1.1525631941363776
Energy: 1.2389874302981936
Energy: 1.2836806639232008
Energy: 1.1525631941363776
Energy: 1.2389874302981936
Energy: 1.2836806639232008
Energy: 1.4369008244422152
Energy: 1.1937084228001842
Energy: 1.2180097857983836
Energy: 1.4369008244422152
Energy: 1.1937084228019972
Energy: 1.2180097857983836
Energy: 1.4369008244422152
Energy: 1.1937084228001842
Energy: 1.2180097857983836
Energy: 1.4369008244422152
Energy: 1.3360080884551928
Energy: 1.2537835930177117
Energy: 1.2236675920833868
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Energy: 1.2537835930177117
Energy: 1.2236675920833868
Energy: 1.3360080884551928
Energy: 1.2537835930177117
Energy: 1.2236675920833868
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Energy: 1.2301854290942094
Energy: 1.3109484364103345
Energy: 1.2914077738466077
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Energy: 1.2914077738466077
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Energy: 1.181201436773404
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Energy: 1.3485290621306572
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Energy: 1.3485290621324706
Energy: 1.1811857287646295
Energy: 1.2390871569942445
Energy: 1.1819911157670726
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Energy: 1.2390871569924313
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Energy: 1.272445804699832
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Energy: 1.150588608393983
Energy: 1.3752119210045315
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Energy: 1.2750397696369205
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Energy: 1.2750397696369205
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Energy: 1.2750397696369205
Energy: 1.2675633699182227
Energy: 1.2702883413758326
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Energy: 1.2702883413758326
Energy: 1.2207073667932373
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Energy: 1.2702883413758326
Energy: 1.2206931322841863
Energy: 1.267563369920036
Energy: 1.207313711085231
Energy: 1.2637321659798124
Energy: 1.3077382963067017
Energy: 1.207313711085231
Energy: 1.264801564808357
Energy: 1.3075031157346166
Energy: 1.207313711085231
Energy: 1.2637321659798124
Energy: 1.3077382963067017
Energy: 1.207313711085231
Energy: 1.1984692276608455
Energy: 1.2576177009911111
Energy: 1.2578505600014214
Energy: 1.1984692276608455
Energy: 1.2573248589349832
Energy: 1.2578518077523086
Energy: 1.1984692276608455
Energy: 1.2576177009911111
Energy: 1.2578505600014214
Energy: 1.1984692276608455
Energy: 1.2101917236818895
Energy: 1.2548547302611683
Energy: 1.228379291539157
Energy: 1.2101917236818895
Energy: 1.2550472930246537
Energy: 1.2283792915409701
Energy: 1.2101917236837025
Energy: 1.2548547302575421
Energy: 1.2283792915409701
Energy: 1.2101917236818895
Energy: 1.2661641811986268
Energy: 1.3052653580893885
Energy: 1.282208545359593
Energy: 1.2661641811986268
Energy: 1.3037275797330004
Energy: 1.282208545359593
Energy: 1.2661641811986268
Energy: 1.3052653580893885
Energy: 1.282208545359593
Energy: 1.26616418120044
Energy: 1.2568617922782728
Energy: 1.2809607587049847
Energy: 1.2042420632372353
Energy: 1.2568617922782728
Energy: 1.2809607587049847
Energy: 1.2042420632390485
Energy: 1.2568617922782728
Energy: 1.2809607587049847
Energy: 1.2042420632372353
Energy: 1.2568617922782728
Energy: 1.2734628455882206
Energy: 1.3778688080993768
Energy: 1.1504459560680707
Energy: 1.2734628455900339
Energy: 1.3778688080993768
Energy: 1.1504459560680707
Energy: 1.2734628455900339
Energy: 1.3778688080993768
Energy: 1.150445956069884
Energy: 1.2734628455882206
Energy: 1.236419791234066
Energy: 1.2831380317551984
Energy: 1.1920878353726274
Energy: 1.236419791234066
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Energy: 1.27037804244962
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Energy: 1.2280908414204366
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Energy: 1.26666763108286
Energy: 1.2729533996351612
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Energy: 1.2807507247462764
Energy: 1.1995203193731694
Energy: 1.1862463958756084
Energy: 1.2807507247462764
Energy: 1.1995203193731694

minimum gb energy = 1.1504459560680707 eV
minimum distance =  2.23502307705924 Angstroms
sigma value = 219


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

Energy: 1.4651776447457645
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Energy: 1.6824782994073795
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Energy: 1.4633475469545612
Energy: 1.6284122406860317
Energy: 1.6100869317042004
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Energy: 1.6100869317042004
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Energy: 1.6100869317066002
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Energy: 1.6306168329778774
Energy: 1.5717665830460368
Energy: 1.5944678195915418
Energy: 1.6306168329766777
Energy: 1.5717665830460368

minimum gb energy = 1.4627507016092338 eV
minimum distance =  2.26171960619928 Angstroms
sigma value = 15


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

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Energy: 1.7204865101011197
Energy: 1.7131517140269092
Energy: 1.6774543215915791
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minimum gb energy = 1.6724517219414958 eV
minimum distance =  2.19758881081587 Angstroms
sigma value = 293


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

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Energy: 1.6543863862182653
Energy: 1.688917655928396
Energy: 1.763456968870323
Energy: 1.7405095812454365
Energy: 1.6653912044208212
Energy: 1.763456968870323
Energy: 1.7405095812454365
Energy: 1.6653912044208212
Energy: 1.763456968870323
Energy: 1.7405095812454365
Energy: 1.6653912044208212
Energy: 1.763456968870323
Energy: 1.7020652651909334
Energy: 1.7227624318714065
Energy: 1.7226940732442146
Energy: 1.7020652651909334
Energy: 1.7227624318714065
Energy: 1.7226940732442146
Energy: 1.7020652651909334
Energy: 1.7227624318714065
Energy: 1.7226940732442146
Energy: 1.7020652651909334
Energy: 1.7633411153792606
Energy: 1.665327767065991
Energy: 1.7404861216091185
Energy: 1.7633411153602867
Energy: 1.665327767065991
Energy: 1.7404861216091185
Energy: 1.763341115371129
Energy: 1.665327767065991
Energy: 1.7404861216091185
Energy: 1.763341115381971
Energy: 1.688936871916359
Energy: 1.6544917501639327
Energy: 1.690309978146404
Energy: 1.688936871916359
Energy: 1.6544917501639327
Energy: 1.690309978146404
Energy: 1.688936871916359
Energy: 1.6544917501639327
Energy: 1.690309978146404
Energy: 1.688936871916359
Energy: 1.76581067251861
Energy: 1.6545671266829005
Energy: 1.8442952526600882
Energy: 1.76581067251861
Energy: 1.6545671266829005
Energy: 1.8442952526600882
Energy: 1.76581067251861
Energy: 1.6545671266829005
Energy: 1.8442952526627987
Energy: 1.76581067251861
Energy: 1.888583828382951
Energy: 1.65362723703737
Energy: 1.7093655223508646
Energy: 1.888583828382951
Energy: 1.65362723703737
Energy: 1.7093655223508646
Energy: 1.888583828382951
Energy: 1.65362723703737
Energy: 1.7093655223508646
Energy: 1.888583828382951
Energy: 1.6549403319738603
Energy: 1.8120803755839887
Energy: 1.7734497621168053
Energy: 1.6549403319738603
Energy: 1.8120803755812787
Energy: 1.7734497621168053
Energy: 1.654940331968439
Energy: 1.8120803755839887
Energy: 1.7734497621168053
Energy: 1.6549403319792813
Energy: 1.6654208496664418
Energy: 1.6570422117756862
Energy: 1.7382814006682203
Energy: 1.6654208496664418
Energy: 1.6570422117756862
Energy: 1.7382814006682203
Energy: 1.6654208496664418
Energy: 1.6570422117756862
Energy: 1.7382814006682203
Energy: 1.6654208496664418
Energy: 1.8317697497644228
Energy: 1.7218114519794006
Energy: 1.7216393024264998
Energy: 1.8317697497644228
Energy: 1.7218114519794006
Energy: 1.7216393024264998
Energy: 1.8317697497644228
Energy: 1.7218114519794006
Energy: 1.7216393024264998
Energy: 1.8317697497644228
Energy: 1.6651198418604807
Energy: 1.7384887062968493
Energy: 1.6571717804950663
Energy: 1.6651198418604807
Energy: 1.7384887062968493
Energy: 1.6571717804950663
Energy: 1.6651198418604807
Energy: 1.7384887062968493
Energy: 1.6571717804950663
Energy: 1.6651198418604807
Energy: 1.654229982042864
Energy: 1.7734372265105012
Energy: 1.8118359954599779
Energy: 1.654229982042864
Energy: 1.7734372265105012
Energy: 1.8118359954599779
Energy: 1.654229982042864
Energy: 1.7734372265105012
Energy: 1.8118359954599779
Energy: 1.654229982042864
Energy: 1.8885312247458894
Energy: 1.7095268966475354
Energy: 1.6530455564552464
Energy: 1.8885312247486
Energy: 1.7095268966448744
Energy: 1.653045556457957
Energy: 1.8885312247486
Energy: 1.7095268966475354
Energy: 1.6530455564552464
Energy: 1.8885312247486
Energy: 1.7658541663857192
Energy: 1.8442866883185278
Energy: 1.6548727504756677
Energy: 1.7658541663857192
Energy: 1.8442866883185278
Energy: 1.6548727504783785
Energy: 1.7658541663857192
Energy: 1.8442866883185278
Energy: 1.6548727504756677
Energy: 1.7658541663857192

minimum gb energy = 1.6530455564552464 eV
minimum distance =  2.21237898361245 Angstroms
sigma value = 293


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

Energy: 1.671453182637315
Energy: 1.6740100660325152
Energy: 1.673859488235931
Energy: 1.671453182637805
Energy: 1.674010066033005
Energy: 1.673859488235441
Energy: 1.671453182637315
Energy: 1.6740100660325152
Energy: 1.673859488235441
Energy: 1.671453182637315
Energy: 1.6695789706234736
Energy: 1.6715266999163076
Energy: 1.6728624330485304
Energy: 1.6695789706239637
Energy: 1.6715266999167975
Energy: 1.6728624330485304
Energy: 1.6695789706239637
Energy: 1.6715266999163076
Energy: 1.6728624330490205
Energy: 1.6695789706239637
Energy: 1.671199359962146
Energy: 1.6723654671879642
Energy: 1.8208300725046207
Energy: 1.671199359962146
Energy: 1.6723654671879642
Energy: 1.8208300731524871
Energy: 1.6711993599616561
Energy: 1.6723654671874741
Energy: 1.8208300727866675
Energy: 1.671199359962146
Energy: 1.8207963750728624
Energy: 1.6718903670786434
Energy: 1.671205231836535
Energy: 1.8207963760120838
Energy: 1.6718903670786434
Energy: 1.671205231836535
Energy: 1.8207963745033795
Energy: 1.6718903670791332
Energy: 1.671205231836045
Energy: 1.8207963747173754
Energy: 1.672662333707806
Energy: 1.6715462518166748
Energy: 1.6693295765375984
Energy: 1.672662333707806
Energy: 1.6715462518171649
Energy: 1.6693295765375984
Energy: 1.672662333707806
Energy: 1.6715462518166748
Energy: 1.669329576538088
Energy: 1.672662333707806
Energy: 1.6740100660325152
Energy: 1.673859488235441
Energy: 1.671453182637315
Energy: 1.6740100660325152
Energy: 1.673859488235441
Energy: 1.671453182637315
Energy: 1.674010066033005
Energy: 1.673859488235441
Energy: 1.671453182637805
Energy: 1.6740100660325152
Energy: 1.6715266999163076
Energy: 1.6728624330485304
Energy: 1.6695789706234736
Energy: 1.6715266999167975
Energy: 1.6728624330485304
Energy: 1.6695789706234736
Energy: 1.6715266999167975
Energy: 1.6728624330485304
Energy: 1.6695789706239637
Energy: 1.6715266999167975
Energy: 1.6723654671874741
Energy: 1.8208300732611995
Energy: 1.671199359962146
Energy: 1.6723654671874741
Energy: 1.8208300725398932
Energy: 1.671199359962146
Energy: 1.6723654671874741
Energy: 1.8208300725829596
Energy: 1.671199359962146
Energy: 1.6723654671879642
Energy: 1.6718903670786434
Energy: 1.671205231836045
Energy: 1.820796377479637
Energy: 1.6718903670786434
Energy: 1.671205231836045
Energy: 1.8207963784325312
Energy: 1.6718903670786434
Energy: 1.671205231836045
Energy: 1.8207963752471765
Energy: 1.6718903670786434
Energy: 1.6715462518171649
Energy: 1.669329576538088
Energy: 1.672662333707806
Energy: 1.6715462518166748
Energy: 1.6693295765371083
Energy: 1.672662333707806
Energy: 1.6715462518166748
Energy: 1.669329576538088
Energy: 1.672662333708296
Energy: 1.6715462518166748
Energy: 1.673859488235441
Energy: 1.671453182637805
Energy: 1.6740100660325152
Energy: 1.673859488235441
Energy: 1.671453182637805
Energy: 1.6740100660325152
Energy: 1.673859488235441
Energy: 1.671453182637315
Energy: 1.6740100660325152
Energy: 1.673859488235441
Energy: 1.6728624330485304
Energy: 1.6695789706239637
Energy: 1.6715266999163076
Energy: 1.6728624330485304
Energy: 1.6695789706239637
Energy: 1.6715266999167975
Energy: 1.6728624330485304
Energy: 1.6695789706234736
Energy: 1.6715266999163076
Energy: 1.6728624330485304
Energy: 1.8208300725447921
Energy: 1.671199359962146
Energy: 1.6723654671879642
Energy: 1.8208300726985307
Energy: 1.671199359962146
Energy: 1.6723654671879642
Energy: 1.8208300726446867
Energy: 1.671199359962146
Energy: 1.6723654671874741
Energy: 1.8208300725100097
Energy: 1.671205231836045
Energy: 1.8207963755077128
Energy: 1.6718903670786434
Energy: 1.671205231836045
Energy: 1.8207963753632377
Energy: 1.6718903670786434
Energy: 1.671205231836045
Energy: 1.820796374340778
Energy: 1.6718903670786434
Energy: 1.671205231836045
Energy: 1.6693295765371083
Energy: 1.672662333707806
Energy: 1.6715462518171649
Energy: 1.6693295765375984
Energy: 1.672662333708296
Energy: 1.6715462518171649
Energy: 1.6693295765371083
Energy: 1.672662333707806
Energy: 1.6715462518166748
Energy: 1.6693295765375984
Energy: 1.671453182637315
Energy: 1.6740100660325152
Energy: 1.673859488235441
Energy: 1.671453182637805
Energy: 1.6740100660325152
Energy: 1.673859488235931
Energy: 1.671453182637315
Energy: 1.6740100660325152
Energy: 1.673859488235441
Energy: 1.671453182637315
Energy: 1.6695789706239637
Energy: 1.6715266999167975
Energy: 1.6728624330485304
Energy: 1.6695789706234736
Energy: 1.6715266999167975
Energy: 1.6728624330490205
Energy: 1.6695789706239637
Energy: 1.6715266999167975
Energy: 1.6728624330485304
Energy: 1.6695789706239637
Energy: 1.671199359962146
Energy: 1.6723654671874741
Energy: 1.8208300729076277
Energy: 1.671199359962146
Energy: 1.6723654671874741
Energy: 1.8208300726662423
Energy: 1.671199359962146
Energy: 1.6723654671874741
Energy: 1.8208300727720155
Energy: 1.671199359962146
Energy: 1.8207963784291463
Energy: 1.6718903670786434
Energy: 1.671205231836535
Energy: 1.8207963784139594
Energy: 1.6718903670786434
Energy: 1.671205231836045
Energy: 1.8207963751796152
Energy: 1.6718903670786434
Energy: 1.671205231836045
Energy: 1.8207963751467922
Energy: 1.672662333707806
Energy: 1.6715462518166748
Energy: 1.6693295765375984
Energy: 1.672662333707806
Energy: 1.6715462518166748
Energy: 1.6693295765371083
Energy: 1.672662333707806
Energy: 1.6715462518171649
Energy: 1.6693295765371083
Energy: 1.672662333708296
Energy: 1.674010066033005
Energy: 1.673859488235441
Energy: 1.671453182637315
Energy: 1.6740100660325152
Energy: 1.673859488235441
Energy: 1.671453182637805
Energy: 1.6740100660325152
Energy: 1.6738594882349513
Energy: 1.671453182637315
Energy: 1.674010066033005
Energy: 1.6715266999163076
Energy: 1.6728624330485304
Energy: 1.6695789706239637
Energy: 1.6715266999163076
Energy: 1.6728624330485304
Energy: 1.6695789706239637
Energy: 1.6715266999163076
Energy: 1.6728624330485304
Energy: 1.6695789706239637
Energy: 1.6715266999167975

minimum gb energy = 1.6693295765371083 eV
minimum distance =  2.26741781188432 Angstroms
sigma value = 15


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

Energy: 1.6937006520702047
Energy: 1.7493485730088707
Energy: 1.7432314576253507
Energy: 1.641147715259461
Energy: 1.7493485730110914
Energy: 1.74323145762313
Energy: 1.6937006520724254
Energy: 1.7493485730110914
Energy: 1.74323145762313
Energy: 1.641147715259461
Energy: 1.6508110785207153
Energy: 1.6487593936520086
Energy: 1.632285697422334
Energy: 1.6508110785207153
Energy: 1.6487593936520086
Energy: 1.6322856974245545
Energy: 1.6508110785207153
Energy: 1.6487593936520086
Energy: 1.6322856974245545
Energy: 1.6508110785207153
Energy: 1.6941120868231234
Energy: 1.6776316641611864
Energy: 1.9138852360215541
Energy: 1.6941120868209028
Energy: 1.6776316641611864
Energy: 1.9138852360215541
Energy: 1.6941120868209028
Energy: 1.677631664163407
Energy: 1.9138852360215541
Energy: 1.6941120868209028
Energy: 1.6235721057614685
Energy: 1.6765829654722333
Energy: 1.6234735134148217
Energy: 1.6235721057614685
Energy: 1.6765829654722333
Energy: 1.6234735134148217
Energy: 1.6235721057614685
Energy: 1.6765829654722333
Energy: 1.6234735134148217
Energy: 1.6235721057614685
Energy: 1.7024247428370094
Energy: 1.6485098303941161
Energy: 1.7589366959333266
Energy: 1.7024247428370094
Energy: 1.6485098303941161
Energy: 1.7589366959333266
Energy: 1.7024247428370094
Energy: 1.6485098303941161
Energy: 1.7589366959333266
Energy: 1.7024247428370094
Energy: 1.7026707004167654
Energy: 1.7577253422408565
Energy: 1.6163102500568576
Energy: 1.7026707004167654
Energy: 1.7577253423407473
Energy: 1.6163102500568576
Energy: 1.7026707004167654
Energy: 1.7577253430532673
Energy: 1.6163102500590785
Energy: 1.7026707004167654
Energy: 1.6825721281348742
Energy: 1.7425646109088422
Energy: 1.6542720376718938
Energy: 1.6823022355268211
Energy: 1.7425646109088422
Energy: 1.6542720376718938
Energy: 1.6825721281348742
Energy: 1.7425646109088422
Energy: 1.6542720376718938
Energy: 1.6823022355268211
Energy: 1.6492790166590108
Energy: 1.8045144083624043
Energy: 1.750040573959789
Energy: 1.6492790166612317
Energy: 1.8045144083624043
Energy: 1.750040573959789
Energy: 1.6492790166612317
Energy: 1.8045144083624043
Energy: 1.750040573959789
Energy: 1.6492790166590108
Energy: 1.6136877684088164
Energy: 1.6693958137219804
Energy: 1.6665481463773055
Energy: 1.6136877684221405
Energy: 1.6429753377604703
Energy: 1.6410678853281193
Energy: 1.6136877684243613
Energy: 1.6693958137197598
Energy: 1.6665481463750846
Energy: 1.6136877684354647
Energy: 1.6469833754580792
Energy: 1.8794911478807004
Energy: 1.667178729863798
Energy: 1.6470162913180162
Energy: 1.8794911478807004
Energy: 1.6645205818525248
Energy: 1.6469833754558585
Energy: 1.8794911478807004
Energy: 1.667178729863798
Energy: 1.6470162913157953
Energy: 1.6988900958577293
Energy: 1.602483604511633
Energy: 1.7316805888824605
Energy: 1.6988900958577293
Energy: 1.602483604511633
Energy: 1.7316805888824605
Energy: 1.6988900958577293
Energy: 1.602483604511633
Energy: 1.7316805888824605
Energy: 1.6988900958577293
Energy: 1.754417542959042
Energy: 1.611600505513502
Energy: 1.8830397659315667
Energy: 1.754417542961263
Energy: 1.6116030275447466
Energy: 1.8830397659315667
Energy: 1.754417542961263
Energy: 1.611600505515723
Energy: 1.8830397659315667
Energy: 1.754417542961263
Energy: 1.8411244540233014
Energy: 1.617329464518288
Energy: 1.7979600927785968
Energy: 1.8411244540233014
Energy: 1.617329464518288
Energy: 1.7979600927785968
Energy: 1.8411244540233014
Energy: 1.617329464518288
Energy: 1.7979600927785968
Energy: 1.8411244540233014
Energy: 1.6141792517413378
Energy: 1.6123464568697143
Energy: 1.936311220603409
Energy: 1.6141792517413378
Energy: 1.6123464568697143
Energy: 1.936311220603409
Energy: 1.6141792517413378
Energy: 1.6123464568697143
Energy: 1.936311220603409
Energy: 1.6141792517413378
Energy: 1.7364210810502725
Energy: 1.8372247807024535
Energy: 1.632097104463456
Energy: 1.7364210810480518
Energy: 1.8372247807024535
Energy: 1.6317753909328052
Energy: 1.7364210810480518
Energy: 1.8372247807024535
Energy: 1.6320971044612353
Energy: 1.7364210810480518
Energy: 1.6328312605979625
Energy: 1.6494300156018882
Energy: 1.8324296126021948
Energy: 1.6328312605979625
Energy: 1.6494300155996675
Energy: 1.8324296126044155
Energy: 1.6328312605979625
Energy: 1.6494300155996675
Energy: 1.8324296126044155
Energy: 1.6328312605979625
Energy: 1.6420708821199288
Energy: 1.740964677651453
Energy: 1.76400979296795
Energy: 1.6420708821199288
Energy: 1.7409646776492322
Energy: 1.76400979296795
Energy: 1.6420708821199288
Energy: 1.7409646776536734
Energy: 1.76400979296795
Energy: 1.6420708821199288
Energy: 1.758080345376075
Energy: 1.6495866946078936
Energy: 1.6297959181809933
Energy: 1.758080345376075
Energy: 1.6495866946078936
Energy: 1.6297959181787727
Energy: 1.758080345373854
Energy: 1.6495866946078936
Energy: 1.6297959181787727
Energy: 1.758080345376075
Energy: 1.6344834872478982
Energy: 1.6672463633590475
Energy: 1.6720321458567773
Energy: 1.6344834872478982
Energy: 1.6672463633612682
Energy: 1.6720321458567773
Energy: 1.6344834872478982
Energy: 1.6672463633612682
Energy: 1.6720321458567773
Energy: 1.6344834872478982
Energy: 1.823437177583656
Energy: 1.632603126645383
Energy: 1.6959348978871214
Energy: 1.823437177583656
Energy: 1.632603126645383
Energy: 1.6959348978871214
Energy: 1.823437177581435
Energy: 1.632603126645383
Energy: 1.6959348978871214
Energy: 1.823437177583656
Energy: 1.7044420942051013
Energy: 1.649615911156147
Energy: 1.850303192925229
Energy: 1.7044420942028806
Energy: 1.649615911156147
Energy: 1.850303192925229
Energy: 1.7044420942028806
Energy: 1.649615911158368
Energy: 1.850303192925229
Energy: 1.7044420942028806
Energy: 1.7250409544922982
Energy: 1.7799270093052293
Energy: 1.6168355602101976
Energy: 1.7250409544900773
Energy: 1.7799270093052293
Energy: 1.6168355602101976
Energy: 1.7250409544922982
Energy: 1.7799270093052293
Energy: 1.6168355602101976
Energy: 1.7250409544922982
Energy: 1.6774765228160677
Energy: 1.6815365550897405
Energy: 1.7399547800779482
Energy: 1.6774505770358663
Energy: 1.6820124833412589
Energy: 1.7399547800779482
Energy: 1.6774765228160677
Energy: 1.6815365550897405
Energy: 1.739954780080169
Energy: 1.6774505770358663
Energy: 1.620306143608152
Energy: 1.660624395635075
Energy: 1.605783027761965
Energy: 1.620306143608152
Energy: 1.660624395635075
Energy: 1.605783027761965
Energy: 1.620306143608152
Energy: 1.660624395635075
Energy: 1.605783027761965
Energy: 1.620306143608152
Energy: 1.7587013905348052
Energy: 1.6993524496847638
Energy: 1.6976122609172803
Energy: 1.7587013905348052
Energy: 1.6993524496847638
Energy: 1.6976122609150597
Energy: 1.7587013905348052
Energy: 1.6993524496847638
Energy: 1.6976122609150597
Energy: 1.7587013905348052
Energy: 1.6470153723340057
Energy: 1.7620992433275833
Energy: 1.73077647891543
Energy: 1.647352262435337
Energy: 1.7620992433253626
Energy: 1.7228945551279473
Energy: 1.6470153723340057
Energy: 1.7620992433275833
Energy: 1.73077647891543
Energy: 1.647352262435337
Energy: 1.736879751811986
Energy: 1.602095781042824
Energy: 1.7287151391977198
Energy: 1.7368797518097654
Energy: 1.602095781042824
Energy: 1.7287151391977198
Energy: 1.7368797518097654
Energy: 1.602095781042824
Energy: 1.7287151391954991
Energy: 1.7368797518097654
Energy: 1.7959161410866182
Energy: 1.8188940687250328
Energy: 1.8785499649676103
Energy: 1.7959161410866182
Energy: 1.8188940687228121
Energy: 1.8785499649676103
Energy: 1.7959161410866182
Energy: 1.8188940687228121
Energy: 1.8785499649676103
Energy: 1.7959161410866182
Energy: 1.7316358302651846
Energy: 1.6116072233143672
Energy: 1.6780548886365625
Energy: 1.7294990614073857
Energy: 1.6115931385697626
Energy: 1.6780548886365625
Energy: 1.731635830262964
Energy: 1.6116072233143672
Energy: 1.6780548886365625
Energy: 1.7294990614073857
Energy: 1.6458936453408883
Energy: 1.6102514232889218
Energy: 1.7741804298036743
Energy: 1.6458936453408883
Energy: 1.6102514232889218
Energy: 1.7741804298036743
Energy: 1.6458936453408883
Energy: 1.6102514232889218
Energy: 1.7741804298036743
Energy: 1.6458936453408883
Energy: 1.7751091586563468
Energy: 1.7370978510636161
Energy: 1.636751374023472
Energy: 1.7751091586541263
Energy: 1.7370978510680575
Energy: 1.6367207282201037
Energy: 1.7751091586541263
Energy: 1.7370978510636161
Energy: 1.636751374023472
Energy: 1.7751091586563468
Energy: 1.603560774141839
Energy: 1.7632101019978856
Energy: 1.8289548529890909
Energy: 1.603560774141839
Energy: 1.7632101019978856
Energy: 1.8289548529890909
Energy: 1.603560774141839
Energy: 1.7632101019978856
Energy: 1.8289548529890909
Energy: 1.603560774141839
Energy: 1.692718096834826
Energy: 1.8209392392010302
Energy: 1.6871676182949624
Energy: 1.6395983236215828
Energy: 1.8209392392010302
Energy: 1.6871676182949624
Energy: 1.692718096834826
Energy: 1.8209392392010302
Energy: 1.6871676182949624
Energy: 1.6395983236215828
Energy: 1.692383691962008
Energy: 1.7488753171278744
Energy: 1.8080689249733297
Energy: 1.6395166401332641
Energy: 1.748875317125654
Energy: 1.8130997782068836
Energy: 1.692383691962008
Energy: 1.7488753171278744
Energy: 1.8080689249755506
Energy: 1.6395166401332641
Energy: 1.6056568645461524
Energy: 1.7645221909024957
Energy: 1.7154898662161584
Energy: 1.6056568645461524
Energy: 1.7645221909024957
Energy: 1.7154898662183793
Energy: 1.6056568645461524
Energy: 1.7645221909024957
Energy: 1.7154898662183793
Energy: 1.6056568645461524
Energy: 1.667273741091378
Energy: 1.6391182595561817
Energy: 1.6254802821621248
Energy: 1.667273741197931
Energy: 1.6391182595561817
Energy: 1.6254802821621248
Energy: 1.667273741155738
Energy: 1.6391182595561817
Energy: 1.6254802821621248
Energy: 1.6672737412489667
Energy: 1.6472401458817125
Energy: 1.828853719085194
Energy: 1.6077753989744774
Energy: 1.6472401458817125
Energy: 1.828853719085194
Energy: 1.6082638979803034
Energy: 1.6472401458817125
Energy: 1.828853719085194
Energy: 1.607775398972257
Energy: 1.6472401458817125
Energy: 1.8731675303211381
Energy: 1.7401329805896582
Energy: 1.6116668431561176
Energy: 1.8731675303211381
Energy: 1.7401329805896582
Energy: 1.611666843153897
Energy: 1.8731675303233586
Energy: 1.7401329805896582
Energy: 1.611666843153897
Energy: 1.8731675303233586
Energy: 1.735096045288467
Energy: 1.8276819083903402
Energy: 1.7723782988043264
Energy: 1.735096045288467
Energy: 1.8276819083903402
Energy: 1.7723782988043264
Energy: 1.7350960452862463
Energy: 1.8276819083903402
Energy: 1.772378298802106
Energy: 1.735096045288467
Energy: 1.8653330250770817
Energy: 1.7449824751962815
Energy: 1.6030263893337864
Energy: 1.8653330250770817
Energy: 1.7449824751962815
Energy: 1.6030263893337864
Energy: 1.8653330250770817
Energy: 1.7449824751962815
Energy: 1.6030263893337864
Energy: 1.8653330250770817
Energy: 1.6481544520862792
Energy: 1.727551964123666
Energy: 1.6993958012228254
Energy: 1.6481544520862792
Energy: 1.727551964123666
Energy: 1.6993958012228254
Energy: 1.6481544520862792
Energy: 1.7275519641258865
Energy: 1.6993958012250463
Energy: 1.6481544520862792
Energy: 1.8306185845465648
Energy: 1.6730349439311443
Energy: 1.6726638715525952
Energy: 1.8306185845465648
Energy: 1.6469396134946324
Energy: 1.6468260240785084
Energy: 1.830618584544344
Energy: 1.6730349439311443
Energy: 1.6726638715525952
Energy: 1.830618584544344
Energy: 1.6900957707680735
Energy: 1.6044263521500581
Energy: 1.7724092167516514
Energy: 1.6900957707680735
Energy: 1.6044263521500581
Energy: 1.7724092167516514
Energy: 1.6900957707680735
Energy: 1.6044263521522788
Energy: 1.7724092167516514
Energy: 1.6900957707680735
Energy: 1.6784461816502994
Energy: 1.8097795123992446
Energy: 1.678890788487797
Energy: 1.6784461816502994
Energy: 1.8097795124014653
Energy: 1.678890788487797
Energy: 1.6784461816502994
Energy: 1.8097795123992446
Energy: 1.678890788487797
Energy: 1.6784461816502994
Energy: 1.6515857161240934
Energy: 1.6116667010703154
Energy: 1.723132120500355
Energy: 1.6515857161240934
Energy: 1.6116809840948854
Energy: 1.723132120500355
Energy: 1.6515857161240934
Energy: 1.6116667010680947
Energy: 1.723132120500355
Energy: 1.6515857161240934
Energy: 1.6488761418987805
Energy: 1.633171383462855
Energy: 1.829833758206108
Energy: 1.6488761418987805
Energy: 1.633171383462855
Energy: 1.8298337582038873
Energy: 1.6488761418987805
Energy: 1.633171383462855
Energy: 1.8298337582038873
Energy: 1.6488761418987805
Energy: 1.6545460532409721
Energy: 1.703471972312105
Energy: 1.6326856613100007
Energy: 1.6545460532409721
Energy: 1.703471972312105
Energy: 1.632688820595366
Energy: 1.6545460532409721
Energy: 1.703471972312105
Energy: 1.6326856613100007
Energy: 1.6545460532409721
Energy: 1.6038395149409916
Energy: 1.6862198865338678
Energy: 1.8518250628857682
Energy: 1.6038395149409916
Energy: 1.6862198865338678
Energy: 1.8518250628857682
Energy: 1.6038395149409916
Energy: 1.6862198865338678
Energy: 1.8518250628857682
Energy: 1.6038395149409916
Energy: 1.639550530452152
Energy: 1.8217162046636501
Energy: 1.8559404795706835
Energy: 1.639550530452152
Energy: 1.8217162046636501
Energy: 1.8559404795684629
Energy: 1.639550530452152
Energy: 1.8217162046636501
Energy: 1.8559404795684629
Energy: 1.6395505304499314

minimum gb energy = 1.602095781042824 eV
minimum distance =  2.21795121442179 Angstroms
sigma value = 437


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

Energy: 1.5463903223053577
Energy: 1.5457195522396514
Energy: 1.5457764530034057
Energy: 1.5463903223053577
Energy: 1.5457195522396514
Energy: 1.5457764530034057
Energy: 1.5463903223061668
Energy: 1.5457195522396514
Energy: 1.5457764530034057
Energy: 1.5463903223061668
Energy: 1.5993903518993526
Energy: 1.5112479869076023
Energy: 1.5297780438286155
Energy: 1.5993903440211596
Energy: 1.5112479869076023
Energy: 1.5297780438286155
Energy: 1.5993902924743961
Energy: 1.5112479869076023
Energy: 1.5297780438286155
Energy: 1.5993903096879334
Energy: 1.6968797441407475
Energy: 1.501832863706758
Energy: 1.8673732259035107
Energy: 1.6968797441407475
Energy: 1.5018328637059488
Energy: 1.8674295392242874
Energy: 1.6968797441407475
Energy: 1.5018328637059488
Energy: 1.8674303098500538
Energy: 1.6968797441399384
Energy: 1.6795534841296917
Energy: 1.6991420467369862
Energy: 1.5851223546982771
Energy: 1.6795534841296917
Energy: 1.6991420467369862
Energy: 1.5851223546982771
Energy: 1.6795534841296917
Energy: 1.699142046737795
Energy: 1.585122354697468
Energy: 1.6795534841296917
Energy: 1.5876134203156476
Energy: 1.5283878270197366
Energy: 1.6786350066410567
Energy: 1.5876134203156476
Energy: 1.5283878270197366
Energy: 1.6786350066410567
Energy: 1.5876134203156476
Energy: 1.5283878270197366
Energy: 1.6786350066410567
Energy: 1.5876134203156476
Energy: 1.5880106184836407
Energy: 1.757926360544574
Energy: 1.5119158847753016
Energy: 1.5880106184836407
Energy: 1.757926360544574
Energy: 1.5119158847753016
Energy: 1.5880106184836407
Energy: 1.7579263605437652
Energy: 1.5119158847753016
Energy: 1.5880106184836407
Energy: 1.597264644576275
Energy: 1.5518323100268658
Energy: 1.5023068831130721
Energy: 1.597264644576275
Energy: 1.5518323100268658
Energy: 1.5023068831130721
Energy: 1.597264644575466
Energy: 1.5518323100268658
Energy: 1.5023068831130721
Energy: 1.597264644576275
Energy: 1.565996312379147
Energy: 1.7920136020020474
Energy: 1.523365530697223
Energy: 1.5659963123799558
Energy: 1.7920136020020474
Energy: 1.523365530698032
Energy: 1.565996312379147
Energy: 1.7920136020020474
Energy: 1.523365530698032
Energy: 1.565996312379147
Energy: 1.8593537987936233
Energy: 1.52827312067748
Energy: 1.5280235247906115
Energy: 1.8593537987936233
Energy: 1.52827312067748
Energy: 1.5280235247906115
Energy: 1.859353798792814
Energy: 1.52827312067748
Energy: 1.5280235247906115
Energy: 1.8593537987936233
Energy: 1.6817963996399274
Energy: 1.5886423944254597
Energy: 1.7006194834071455
Energy: 1.6817963996399274
Energy: 1.5886423944254597
Energy: 1.700619636927506
Energy: 1.6817963996399274
Energy: 1.5886423944254597
Energy: 1.7002433925074658
Energy: 1.6817963996399274
Energy: 1.6581370910035143
Energy: 1.510398619961906
Energy: 1.5662406608667045
Energy: 1.6581370910035143
Energy: 1.510398619961906
Energy: 1.5662406608667045
Energy: 1.6581370910027053
Energy: 1.510398619961906
Energy: 1.760179631288538
Energy: 1.6581370910035143
Energy: 1.5882219569135259
Energy: 1.5112711942279005
Energy: 1.5435988696620362
Energy: 1.5882219569143348
Energy: 1.5112711942270913
Energy: 1.5435988696628455
Energy: 1.5882219569135259
Energy: 1.5112711942279005
Energy: 1.5435988696620362
Energy: 1.5882219569135259
Energy: 1.5274919951490744
Energy: 1.6092046610920188
Energy: 1.5277485428462474
Energy: 1.5274919951490744
Energy: 1.6092046610928277
Energy: 1.5277485428462474
Energy: 1.5274919951490744
Energy: 1.6092046610887827
Energy: 1.5277485428462474
Energy: 1.5274919951490744
Energy: 1.5399285346714289
Energy: 1.538211491684135
Energy: 1.526180581643391
Energy: 1.5399285346714289
Energy: 1.538211491683326
Energy: 1.526180581643391
Energy: 1.5399285346714289
Energy: 1.538211491683326
Energy: 1.526180581643391
Energy: 1.5399285346714289

minimum gb energy = 1.5018328637059488 eV
minimum distance =  2.22120014756341 Angstroms
sigma value = 33