Model name: model_name=EAM_Dynamo_SturgeonLaird_2000_Al__MO_120808805541_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050010219216347
cohesive_energy=3.3902685453001857
mass=26.981538
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: 0.011809289609086783
Energy: 0.1984934264934129
Energy: 0.19849342649456456
Energy: 0.011809289610238445
Energy: 0.19849342649456456
Energy: 0.19849342649456456
Energy: 0.011809289610238445
Energy: 0.1984934264934129
Energy: 0.19849342649456456
Energy: 0.01180928960793512
Energy: 0.19690343488361103
Energy: 0.013599361224762019
Energy: 0.19698458332808905
Energy: 0.19690343488361103
Energy: 0.013599361225913684
Energy: 0.19698458332808905
Energy: 0.19690343488361103
Energy: 0.013599361225913684
Energy: 0.19698458332808905
Energy: 0.19690343488361103
Energy: 0.40155622648834743
Energy: 0.1185246660574999
Energy: 0.11852466605634823
Energy: 0.40155621121139756
Energy: 0.3603164732605107
Energy: 0.11852466605634823
Energy: 0.40155620491920446
Energy: 0.3097043668255085
Energy: 0.11852466605634823
Energy: 0.40155623271952856
Energy: 0.19690343488245937
Energy: 0.19698458332808905
Energy: 0.013599361224762019
Energy: 0.19690343488361103
Energy: 0.1969845833292407
Energy: 0.013599361224762019
Energy: 0.19690343488245937
Energy: 0.19698458332808905
Energy: 0.013599361224762019
Energy: 0.19690343488361103
Energy: 0.011809289610238445
Energy: 0.1984934264934129
Energy: 0.19849342649456456
Energy: 0.011809289610238445
Energy: 0.1984934264934129
Energy: 0.19849342649456456
Energy: 0.011809289610238445
Energy: 0.1984934264934129
Energy: 0.19849342649456456
Energy: 0.011809289610238445
Energy: 0.19690343488245937
Energy: 0.013599361224762019
Energy: 0.1969845833292407
Energy: 0.19690343488361103
Energy: 0.013599361224762019
Energy: 0.19698458332808905
Energy: 0.19690343488361103
Energy: 0.013599361224762019
Energy: 0.1969845833292407
Energy: 0.19690343488361103
Energy: 0.4015563524048438
Energy: 0.11852466605634823
Energy: 0.3603164732628141
Energy: 0.4015562069187543
Energy: 0.11852466605634823
Energy: 0.1185246660574999
Energy: 0.40155619899651207
Energy: 0.3603164732605107
Energy: 0.1185246660574999
Energy: 0.4015561994086245

minimum gb energy = 0.01180928960793512 eV
minimum distance =  2.63249713811231 Angstroms
sigma value = 3


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

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Energy: 0.5742113272027468
Energy: 0.5741624567919402
Energy: 0.43971143918453176
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Energy: 0.4932631977816172
Energy: 0.45380400016320516
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Energy: 0.5742113272055677
Energy: 0.5741624567947613
Energy: 0.4397114391834034
Energy: 0.49326319777964256
Energy: 0.45380400016179473
Energy: 0.5526896806181874
Energy: 0.4932631977824635
Energy: 0.4538040001648721
Energy: 0.5526896806148022
Energy: 0.4932631977779499
Energy: 0.4538040001592558
Energy: 0.5526896806119812
Energy: 0.493263197778232
Energy: 0.49678398022623693
Energy: 0.533586389594734
Energy: 0.5725906348702356
Energy: 0.5288451833836874
Energy: 0.5335863895992478
Energy: 0.572590634851617
Energy: 0.49678398022708325
Energy: 0.5335863895417252
Energy: 0.5725906348578234
Energy: 0.5288451833842516
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Energy: 0.6043223528995243
Energy: 0.43993114226246693
Energy: 0.5742714847039468
Energy: 0.6043223529012169
Energy: 0.4399311422582611
Energy: 0.5742714847073321

minimum gb energy = 0.41910187584331515 eV
minimum distance =  2.65643167289666 Angstroms
sigma value = 75


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

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Energy: 0.47790826705690054
Energy: 0.47783409412635414
Energy: 0.6105618415246966
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minimum gb energy = 0.4762408645418981 eV
minimum distance =  2.52221403230116 Angstroms
sigma value = 105


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

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Energy: 0.5490620646932289
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Energy: 0.5787726611105553
Energy: 0.5490620646904619
Energy: 0.5549014987166384
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Energy: 0.5490620646901514
Energy: 0.5539590679933296
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Energy: 0.5688908598773383
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Energy: 0.5719916962596721
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Energy: 0.5539590679922567
Energy: 0.5719114122318201
Energy: 0.5688908598801335
Energy: 0.5539590679948825
Energy: 0.5945477910640936
Energy: 0.5723617615120818
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Energy: 0.5945477910633312
Energy: 0.5722750011357689
Energy: 0.5958309067773144
Energy: 0.5945477910647148
Energy: 0.5723617615069432
Energy: 0.5958309067788672
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Energy: 0.5678795689682257
Energy: 0.5677869763836422
Energy: 0.5512880363039319
Energy: 0.5678795689685362
Energy: 0.5677869763845739
Energy: 0.5512880363046943
Energy: 0.5678795689707102
Energy: 0.5677869763823998
Energy: 0.5512880363034519
Energy: 0.5678795689691574
Energy: 0.5836806976945741
Energy: 0.6012362614827579
Energy: 0.5604191562791703
Energy: 0.5836806976937836
Energy: 0.6054519213246133
Energy: 0.5604191562777868
Energy: 0.5836806976920895
Energy: 0.6012362614843108
Energy: 0.5604191562780975
Energy: 0.5836806976942636
Energy: 0.5298179215458929
Energy: 0.5789836856090904
Energy: 0.5770554362189634
Energy: 0.5298179215449611
Energy: 0.5774623540641539
Energy: 0.5770554362171001
Energy: 0.5298179215451023
Energy: 0.5789836856070858
Energy: 0.5770554362181729
Energy: 0.5298179215454129
Energy: 0.5811208963256275
Energy: 0.544980908170533
Energy: 0.5861328962900426
Energy: 0.581120896323284
Energy: 0.5448500198195779
Energy: 0.5861328962881792
Energy: 0.5811208963253168
Energy: 0.5449809081700813
Energy: 0.5861328962909744
Energy: 0.5811208963250063

minimum gb energy = 0.5298179215449611 eV
minimum distance =  2.6033558834582 Angstroms
sigma value = 165


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

Energy: 0.5220337799346786
Energy: 0.5530162878116063
Energy: 0.5530256596416359
Energy: 0.5220337799330793
Energy: 0.5530162878068081
Energy: 0.5530256596395033
Energy: 0.5220337799346786
Energy: 0.55301628781054
Energy: 0.5530256596405697
Energy: 0.5220337799336123
Energy: 0.5212985265578
Energy: 0.5275827235810654
Energy: 0.5786097532184916
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Energy: 0.5212985265567338
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Energy: 0.5212985265588662
Energy: 0.5446395073598181
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Energy: 0.5076873426931978
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Energy: 0.5287887202183886
Energy: 0.5526461296742834
Energy: 0.6044174750320387
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Energy: 0.5428099838297296
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Energy: 0.5522625947651537
Energy: 0.5269884926338373
Energy: 0.5529122944417671
Energy: 0.5522625947672861
Energy: 0.5269884926338373
Energy: 0.552912294441234
Energy: 0.5522625947651537
Energy: 0.5269884926338373
Energy: 0.5529122944417671
Energy: 0.5522625947672861
Energy: 0.5445978978531529
Energy: 0.5075254093352135
Energy: 0.5683805402192363
Energy: 0.5445978978531529
Energy: 0.5075254093613362
Energy: 0.5683805403514007
Energy: 0.5445978978547522
Energy: 0.5075254093432102
Energy: 0.5683805440714165
Energy: 0.5445978978542191
Energy: 0.5211601890472882
Energy: 0.5786891847397205
Energy: 0.527736489368832
Energy: 0.5211601890488634
Energy: 0.5786891847397205
Energy: 0.5277364893693652
Energy: 0.5211601890477972
Energy: 0.5786891847402535
Energy: 0.5277364893693652
Energy: 0.5211601890477972
Energy: 0.522033779932013
Energy: 0.5530162878116063
Energy: 0.5530256596395033
Energy: 0.522033779932013
Energy: 0.5530162878073414
Energy: 0.5530256596395033
Energy: 0.522033779932013
Energy: 0.5530162878094738
Energy: 0.5530256596400365
Energy: 0.5220337799314798

minimum gb energy = 0.5075254093352135 eV
minimum distance =  2.62614465607407 Angstroms
sigma value = 41


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

Energy: 0.5580435518221939
Energy: 0.5094234495258155
Energy: 0.509453731224488
Energy: 0.5580435518221939
Energy: 0.5094234495260035
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Energy: 0.4649503067246683
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Energy: 0.5564593280656123
Energy: 0.49707921674547545
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Energy: 0.5564593280649729
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Energy: 0.5564593280649729
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Energy: 0.4594424414663079
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Energy: 0.46075952353349403
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Energy: 0.4957903889482856
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Energy: 0.49579038895118144
Energy: 0.46075952353018457
Energy: 0.5110744640402821
Energy: 0.46081321538019343
Energy: 0.4905783818488868
Energy: 0.5110744640398684
Energy: 0.4608132153797798
Energy: 0.49057838184640473
Energy: 0.5110744640400942
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Energy: 0.4905783818488868
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Energy: 0.5076165934517173
Energy: 0.5577364293046919
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Energy: 0.5076165934496488
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Energy: 0.5076165934519052
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Energy: 0.48654022220476667
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Energy: 0.4865402222031119
Energy: 0.4788424269309998
Energy: 0.4636438876073105
Energy: 0.48654022220412735
Energy: 0.4788424269316391
Energy: 0.4636438876083259
Energy: 0.46547163879488107
Energy: 0.46794519708102345
Energy: 0.4689163050027194
Energy: 0.46547163879488107
Energy: 0.4679451970785413
Energy: 0.46891630500290743
Energy: 0.465471638794693
Energy: 0.46794519708226456
Energy: 0.4689163050020801
Energy: 0.46547163879510667
Energy: 0.46810019034393113
Energy: 0.46448321980563934
Energy: 0.4692571338755506
Energy: 0.4681001903437055
Energy: 0.46448321980439833
Energy: 0.4692571338792738
Energy: 0.4681001903414489
Energy: 0.46448321980563934
Energy: 0.46925713387370777
Energy: 0.46810019034475847
Energy: 0.5808475050715045
Energy: 0.46411379277642256
Energy: 0.49216201402519905
Energy: 0.5808475050694359
Energy: 0.46411379277931836
Energy: 0.4921620140286967
Energy: 0.5808475050715045
Energy: 0.46411379277683623
Energy: 0.49216201402478543
Energy: 0.5808475050694359
Energy: 0.49546268725538123
Energy: 0.5045900571680684
Energy: 0.4590511728998214
Energy: 0.49546268725477954
Energy: 0.5077557510664962
Energy: 0.459051172898806
Energy: 0.49546268725477954
Energy: 0.5112298305427141
Energy: 0.4590511728998214
Energy: 0.4954626872518837

minimum gb energy = 0.45868913083133167 eV
minimum distance =  2.58303604092949 Angstroms
sigma value = 185


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

Energy: 0.4397791237451208
Energy: 0.25712088564081886
Energy: 0.2571987298807686
Energy: 0.2948513224610222
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Energy: 0.4003680768737129
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Energy: 0.3660348948068252
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Energy: 0.2528872115067216
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Energy: 0.2571208856422921
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Energy: 0.2571208856420465
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Energy: 0.2571114742894
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Energy: 0.3140314738697575
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Energy: 0.33797088393786673
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Energy: 0.3787928899593857
Energy: 0.3940052536902818
Energy: 0.2579222331961608
Energy: 0.36370336014497634
Energy: 0.42518043523630067
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Energy: 0.2579222331924778
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Energy: 0.29657485463595235
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Energy: 0.2977721804290295
Energy: 0.26596634311931766
Energy: 0.4007821109185346
Energy: 0.2965748546379166
Energy: 0.26596634311956324
Energy: 0.4007821109182891
Energy: 0.318471667746636
Energy: 0.3617265190994522
Energy: 0.25706895033972166
Energy: 0.33308546350777324
Energy: 0.3618124788029979
Energy: 0.25706895033923055
Energy: 0.3184716677476181
Energy: 0.36172651909994324
Energy: 0.25706895033824845
Energy: 0.3330854635097375
Energy: 0.2915771315470525
Energy: 0.2898960236211852
Energy: 0.25288721150303856
Energy: 0.3172730663243142
Energy: 0.3114084337837363
Energy: 0.2528872115015653
Energy: 0.29157713154361503
Energy: 0.28989602362069417
Energy: 0.25288721150377513
Energy: 0.31727306632505076
Energy: 0.3748003506312257
Energy: 0.4078274435092068
Energy: 0.2534150879824051
Energy: 0.3762037399401348
Energy: 0.4078274435116622
Energy: 0.25341508798191403
Energy: 0.3748003506312257
Energy: 0.40782744351067995
Energy: 0.25341508798387835
Energy: 0.3762037399391527

minimum gb energy = 0.252719400924313 eV
minimum distance =  2.6567807394201 Angstroms
sigma value = 33


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

Energy: 0.45924998810839246
Energy: 0.45574923071742307
Energy: 0.4554921983109011
Energy: 0.4384113414425394
Energy: 0.45574923071742307
Energy: 0.455492198312249
Energy: 0.4592499881137841
Energy: 0.4557492307241626
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Energy: 0.4384113414425394
Energy: 0.4410659936255678
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Energy: 0.45391622140115084
Energy: 0.45668418056831056
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Energy: 0.4491511145449413
Energy: 0.4457712852109718
Energy: 0.45365902516701023
Energy: 0.4386492876942029
Energy: 0.4457712852136677
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Energy: 0.46289283991171454
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Energy: 0.45708689359572086
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Energy: 0.4677801465728782
Energy: 0.4317440208642833

minimum gb energy = 0.4220357802813394 eV
minimum distance =  2.53607145518702 Angstroms
sigma value = 219


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

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Energy: 0.5415712950934676
Energy: 0.5358454250107316
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Energy: 0.5358454250142999
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Energy: 0.6051740463921552
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Energy: 0.5358846325023975
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Energy: 0.5785636485576189
Energy: 0.5618430905459301
Energy: 0.5713979198692845
Energy: 0.5785636485576189
Energy: 0.5618430905459301

minimum gb energy = 0.5358454250027029 eV
minimum distance =  2.6095802642108 Angstroms
sigma value = 15


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

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minimum gb energy = 0.6043996650377197 eV
minimum distance =  2.56156787174777 Angstroms
sigma value = 293


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

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Energy: 0.6255878723853253
Energy: 0.59933368290205
Energy: 0.6063110562971227
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Energy: 0.6063110562967197
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Energy: 0.59867275511164
Energy: 0.6397861393347274
Energy: 0.6519587755254929
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Energy: 0.6519587755258959
Energy: 0.5986727551118414
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Energy: 0.6519587755256943
Energy: 0.5986727551118414
Energy: 0.6801269688644264
Energy: 0.6122100495591013
Energy: 0.6033561793943191
Energy: 0.6801269688650307
Energy: 0.6122100495586983
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Energy: 0.6801269688644264
Energy: 0.6122100495588998
Energy: 0.6033561793945206
Energy: 0.6801269688648293
Energy: 0.6333501784647221
Energy: 0.6609056366626356
Energy: 0.5974006193286301
Energy: 0.6333501784649236
Energy: 0.6609056366628372
Energy: 0.5974006193280255
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Energy: 0.6609056366630386
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Energy: 0.6333501784649236
Energy: 0.6095959319489083
Energy: 0.6119225385700636
Energy: 0.5973587535297714
Energy: 0.6095959319493113
Energy: 0.6119225385696606
Energy: 0.5973587535301744
Energy: 0.6095959319487069
Energy: 0.6119225385700636
Energy: 0.5973587535297714
Energy: 0.6095959319491099
Energy: 0.6408594288784448
Energy: 0.6426076197064002
Energy: 0.6074807270825076
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Energy: 0.6151361123064012
Energy: 0.6260408611592456
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Energy: 0.6151361123061998
Energy: 0.6366460933080486
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Energy: 0.6424525127791181
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Energy: 0.6074662778850904
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Energy: 0.6366460933080486
Energy: 0.607466277884889
Energy: 0.6424525127789165
Energy: 0.6366460933078472
Energy: 0.6096343639433913
Energy: 0.5967967685147738
Energy: 0.611739133601764
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Energy: 0.6096343639433913
Energy: 0.5967967685147738
Energy: 0.611739133601764
Energy: 0.6096343639427868
Energy: 0.6333376741515923
Energy: 0.5973869057916693
Energy: 0.661016937746654
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Energy: 0.6333376741509876
Energy: 0.6800424979081935
Energy: 0.6030505710723173
Energy: 0.6119933240656625
Energy: 0.6800424979085965
Energy: 0.6030505710723173
Energy: 0.6119933240650581
Energy: 0.680042497908395
Energy: 0.6030505710721158
Energy: 0.611993324065864
Energy: 0.6800424979085965
Energy: 0.5986254078574339
Energy: 0.6519708740425706
Energy: 0.6400089826360917
Energy: 0.5986254078568293
Energy: 0.6519708740427722
Energy: 0.6400089826368978
Energy: 0.5986254078576353
Energy: 0.6519708740425706
Energy: 0.6400089826360917
Energy: 0.5986254078572323
Energy: 0.6062869592087182
Energy: 0.5992984702756616
Energy: 0.6255007924578996
Energy: 0.6062869592087182
Energy: 0.5992984702746542
Energy: 0.6255007924572951
Energy: 0.6062869592087182
Energy: 0.5992984702748558
Energy: 0.6255007924576981
Energy: 0.6062869592085167
Energy: 0.6601878830225157
Energy: 0.624385557804205
Energy: 0.6245228897507452
Energy: 0.6601878830223142
Energy: 0.6243855578040035
Energy: 0.6245228897507452
Energy: 0.6601878830225157
Energy: 0.624385557804205
Energy: 0.6245228897507452
Energy: 0.6601878830223142
Energy: 0.6063110562971227
Energy: 0.6255878723857284
Energy: 0.5993336829048709
Energy: 0.6063110562965182
Energy: 0.6255878723855269
Energy: 0.5993336829006394
Energy: 0.6063110562969212
Energy: 0.6255878723859299
Energy: 0.5993336829038635
Energy: 0.6063110562967197
Energy: 0.598672755112043
Energy: 0.639786139334526
Energy: 0.6519587755258959
Energy: 0.5986727551110355
Energy: 0.6397861393347274
Energy: 0.6519587755254929
Energy: 0.5986727551110355
Energy: 0.639786139334929
Energy: 0.6519587755258959
Energy: 0.5986727551114385
Energy: 0.6801269688648293
Energy: 0.6122100495588998
Energy: 0.6033561793937146
Energy: 0.6801269688646278
Energy: 0.6122100495591013
Energy: 0.6033561793947038
Energy: 0.6801269688650307
Energy: 0.6122100495586983
Energy: 0.6033561793941176
Energy: 0.6801269688644264
Energy: 0.6333501784649236
Energy: 0.6609056366630386
Energy: 0.5974006193282271
Energy: 0.6333501784647221
Energy: 0.6609056366630386
Energy: 0.5974006193286301
Energy: 0.6333501784649236
Energy: 0.6609056366624342
Energy: 0.5974006193282271
Energy: 0.6333501784649236

minimum gb energy = 0.5967967685145724 eV
minimum distance =  2.56772378199873 Angstroms
sigma value = 293


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

Energy: 0.6015044358185521
Energy: 0.6021800736280788
Energy: 0.602118836822256
Energy: 0.6015044358200089
Energy: 0.6021800736280788
Energy: 0.6021188368218917
Energy: 0.6015044358185521
Energy: 0.6021800736280788
Energy: 0.6021188368211634
Energy: 0.6015044358200089
Energy: 0.6004287162335595
Energy: 0.6018918784582821
Energy: 0.6016222104280873
Energy: 0.6004287162339236
Energy: 0.6018918784582821
Energy: 0.6016222104277232
Energy: 0.6004287162335595
Energy: 0.6018918784582821
Energy: 0.6016222104284517
Energy: 0.6004287162339236
Energy: 0.6013906039354305
Energy: 0.6017128529831466
Energy: 0.6472218391260071
Energy: 0.6013906039350663
Energy: 0.6017128529842392
Energy: 0.6472218391241862
Energy: 0.6013906039354305
Energy: 0.6017128529831466
Energy: 0.6472218391241862
Energy: 0.6013906039350663
Energy: 0.6471963987256185
Energy: 0.6015606193689441
Energy: 0.6012966364994957
Energy: 0.6471963987248901
Energy: 0.6015606193685797
Energy: 0.6012966365005882
Energy: 0.6471963987259828
Energy: 0.6015606193689441
Energy: 0.6012966364998599
Energy: 0.6471963987263469
Energy: 0.6017013977000609
Energy: 0.6016866312336919
Energy: 0.6003425267797041
Energy: 0.6017013976993325
Energy: 0.6016866312325992
Energy: 0.6003425267804325
Energy: 0.6017013976996969
Energy: 0.6016866312333277
Energy: 0.6003425267797041
Energy: 0.6017013976989685
Energy: 0.6021800736277145
Energy: 0.602118836822256
Energy: 0.6015044358185521
Energy: 0.6021800736273504
Energy: 0.6021188368211634
Energy: 0.6015044358200089
Energy: 0.6021800736277145
Energy: 0.6021188368218917
Energy: 0.6015044358185521
Energy: 0.6021800736277145
Energy: 0.6018918784582821
Energy: 0.6016222104280873
Energy: 0.6004287162335595
Energy: 0.6018918784582821
Energy: 0.6016222104284517
Energy: 0.6004287162339236
Energy: 0.6018918784582821
Energy: 0.6016222104280873
Energy: 0.6004287162331953
Energy: 0.6018918784582821
Energy: 0.6017128529838749
Energy: 0.6472218391245503
Energy: 0.6013906039354305
Energy: 0.6017128529835108
Energy: 0.6472218391245503
Energy: 0.6013906039350663
Energy: 0.6017128529842392
Energy: 0.6472218391252788
Energy: 0.6013906039354305
Energy: 0.6017128529831466
Energy: 0.6015606193685797
Energy: 0.6012966365005882
Energy: 0.6471963987241617
Energy: 0.6015606193689441
Energy: 0.6012966364998599
Energy: 0.6471963987256185
Energy: 0.6015606193685797
Energy: 0.6012966365005882
Energy: 0.6471963987267111
Energy: 0.6015606193689441
Energy: 0.6016866312322352
Energy: 0.6003425267804325
Energy: 0.6017013977000609
Energy: 0.6016866312333277
Energy: 0.6003425267797041
Energy: 0.6017013976993325
Energy: 0.6016866312325992
Energy: 0.6003425267804325
Energy: 0.6017013976996969
Energy: 0.6016866312336919
Energy: 0.6021188368211634
Energy: 0.6015044358200089
Energy: 0.6021800736280788
Energy: 0.602118836822256
Energy: 0.6015044358185521
Energy: 0.6021800736277145
Energy: 0.6021188368215274
Energy: 0.6015044358200089
Energy: 0.6021800736280788
Energy: 0.602118836822256
Energy: 0.6016222104277232
Energy: 0.6004287162339236
Energy: 0.6018918784582821
Energy: 0.6016222104280873
Energy: 0.6004287162331953
Energy: 0.6018918784582821
Energy: 0.6016222104280873
Energy: 0.6004287162339236
Energy: 0.6018918784582821
Energy: 0.6016222104280873
Energy: 0.6472218391263712
Energy: 0.6013906039350663
Energy: 0.6017128529842392
Energy: 0.6472218391249145
Energy: 0.6013906039354305
Energy: 0.6017128529831466
Energy: 0.6472218391256429
Energy: 0.6013906039350663
Energy: 0.6017128529838749
Energy: 0.6472218391249145
Energy: 0.6012966364998599
Energy: 0.6471963987219767
Energy: 0.6015606193685797
Energy: 0.6012966365009523
Energy: 0.6471963987237976
Energy: 0.6015606193689441
Energy: 0.6012966364998599
Energy: 0.6471963987248901
Energy: 0.6015606193685797
Energy: 0.6012966365009523
Energy: 0.6003425267800684
Energy: 0.6017013976989685
Energy: 0.6016866312322352
Energy: 0.6003425267804325
Energy: 0.6017013977000609
Energy: 0.6016866312333277
Energy: 0.6003425267797041
Energy: 0.6017013976989685
Energy: 0.6016866312322352
Energy: 0.6003425267804325
Energy: 0.6015044358185521
Energy: 0.6021800736273504
Energy: 0.6021188368215274
Energy: 0.6015044358203729
Energy: 0.6021800736280788
Energy: 0.602118836822256
Energy: 0.6015044358185521
Energy: 0.6021800736273504
Energy: 0.6021188368211634
Energy: 0.6015044358200089
Energy: 0.6004287162331953
Energy: 0.6018918784582821
Energy: 0.6016222104280873
Energy: 0.6004287162339236
Energy: 0.6018918784582821
Energy: 0.6016222104277232
Energy: 0.6004287162335595
Energy: 0.6018918784582821
Energy: 0.6016222104280873
Energy: 0.6004287162339236
Energy: 0.6013906039354305
Energy: 0.6017128529831466
Energy: 0.6472218391340027
Energy: 0.6013906039350663
Energy: 0.6017128529842392
Energy: 0.6472218391318175
Energy: 0.6013906039354305
Energy: 0.6017128529831466
Energy: 0.6472218391260071
Energy: 0.6013906039350663
Energy: 0.6471963987223408
Energy: 0.6015606193689441
Energy: 0.6012966364998599
Energy: 0.6471963987234335
Energy: 0.6015606193685797
Energy: 0.6012966365005882
Energy: 0.6471963987227051
Energy: 0.6015606193689441
Energy: 0.6012966364994957
Energy: 0.6471963987223408
Energy: 0.6017013976996969
Energy: 0.6016866312333277
Energy: 0.6003425267797041
Energy: 0.6017013976989685
Energy: 0.6016866312322352
Energy: 0.6003425267804325
Energy: 0.6017013976993325
Energy: 0.6016866312333277
Energy: 0.6003425267797041
Energy: 0.6017013976989685
Energy: 0.6021800736280788
Energy: 0.6021188368218917
Energy: 0.6015044358185521
Energy: 0.6021800736277145
Energy: 0.6021188368211634
Energy: 0.6015044358200089
Energy: 0.6021800736280788
Energy: 0.602118836822256
Energy: 0.6015044358185521
Energy: 0.6021800736280788
Energy: 0.6018918784582821
Energy: 0.6016222104277232
Energy: 0.6004287162331953
Energy: 0.6018918784579178
Energy: 0.6016222104280873
Energy: 0.6004287162339236
Energy: 0.6018918784582821
Energy: 0.6016222104280873
Energy: 0.6004287162331953
Energy: 0.6018918784582821

minimum gb energy = 0.6003425267797041 eV
minimum distance =  2.60980427777908 Angstroms
sigma value = 15


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

Energy: 0.6038294411083285
Energy: 0.6045226491234881
Energy: 0.6037439182632911
Energy: 0.5940380758038186
Energy: 0.604522649125139
Energy: 0.6037439178837437
Energy: 0.6038294411099794
Energy: 0.6045226491168846
Energy: 0.603743918113123
Energy: 0.5940380758038186
Energy: 0.5977388655803857
Energy: 0.5963906080377412
Energy: 0.5900085915885105
Energy: 0.5977388655770839
Energy: 0.5963906080360903
Energy: 0.5900085915852089
Energy: 0.5977388655787349
Energy: 0.5963906080377412
Energy: 0.5900085915885105
Energy: 0.5977388655869891
Energy: 0.6144350265603991
Energy: 0.5967743907866233
Energy: 0.6910671364736677
Energy: 0.6144350265620498
Energy: 0.5967743907849725
Energy: 0.6910671364786202
Energy: 0.6144350265587482
Energy: 0.5967743907899251
Energy: 0.6910671364769693
Energy: 0.6144350265603991
Energy: 0.589836161185612
Energy: 0.5966326342347683
Energy: 0.5851092237328603
Energy: 0.5898361611905647
Energy: 0.596632634226514
Energy: 0.5851092237345112
Energy: 0.5898361611872628
Energy: 0.5966326342314667
Energy: 0.5851092237345112
Energy: 0.5898361611872628
Energy: 0.6219055202325151
Energy: 0.5952238244331436
Energy: 0.6336333056823884
Energy: 0.6219055202308643
Energy: 0.5952238244314928
Energy: 0.6336333056840393
Energy: 0.6219055202308643
Energy: 0.5952238244364454
Energy: 0.6336333056823884
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Energy: 0.6130747386296954
Energy: 0.6476872732205936
Energy: 0.5795886816376841
Energy: 0.613074738632997
Energy: 0.6476872856938808
Energy: 0.5795886816409858
Energy: 0.6130747386313462
Energy: 0.6476872935171196
Energy: 0.579588681639335
Energy: 0.6130747386296954
Energy: 0.5987959224766184
Energy: 0.6191052639692728
Energy: 0.597260116802432
Energy: 0.5987964953177408
Energy: 0.619105263967622
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Energy: 0.5987959224799201
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Energy: 0.5987964953259952
Energy: 0.5952648425407958
Energy: 0.6460782495186186
Energy: 0.6302917489959291
Energy: 0.5952648425457484
Energy: 0.646078249513666
Energy: 0.6302917489975799
Energy: 0.5952648425457484
Energy: 0.6460782495186186
Energy: 0.6302917489959291
Energy: 0.5952648425457484
Energy: 0.5845368051061436
Energy: 0.5962899595764982
Energy: 0.5943393619391649
Energy: 0.5845368050995401
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Energy: 0.5943393619375141
Energy: 0.5845368051143979
Energy: 0.5962899595731965
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Energy: 0.5845368050814107
Energy: 0.5953730851822931
Energy: 0.6726765911324242
Energy: 0.6028051146890427
Energy: 0.595374735426749
Energy: 0.6726765911340751
Energy: 0.6028051146857409
Energy: 0.5953730851806422
Energy: 0.6726765911324242
Energy: 0.6028051146890427
Energy: 0.5953747354317016
Energy: 0.6047863687784504
Energy: 0.5768669465795028
Energy: 0.6250608637555944
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Energy: 0.5768669465828045
Energy: 0.6250608637506418
Energy: 0.6047863687734979
Energy: 0.5768669465811537
Energy: 0.625060863748991
Energy: 0.6047863687817521
Energy: 0.6229269128933843
Energy: 0.5776903998270039
Energy: 0.6736053612628565
Energy: 0.6229269128867808
Energy: 0.577690893526475
Energy: 0.6736053612678091
Energy: 0.6229269128933843
Energy: 0.5776903998253529
Energy: 0.6736053612678091
Energy: 0.6229269128933843
Energy: 0.6640227359838723
Energy: 0.583188426041666
Energy: 0.6562886941922889
Energy: 0.6640227359822214
Energy: 0.5831884260367135
Energy: 0.6562886941873664
Energy: 0.6640227359855232
Energy: 0.5831884260383643
Energy: 0.6562886941922889
Energy: 0.6640227359855232
Energy: 0.5781333448300499
Energy: 0.5776521586498626
Energy: 0.5847359415949362
Energy: 0.5781333448283991
Energy: 0.5776521586580868
Energy: 0.584735941596587
Energy: 0.5781333448333517
Energy: 0.5776521586531643
Energy: 0.5847359415949362
Energy: 0.5781333448317008
Energy: 0.6264587997175063
Energy: 0.6613548567798966
Energy: 0.5855703611667309
Energy: 0.6264587997208081
Energy: 0.6613548567798966
Energy: 0.5855701343948876
Energy: 0.6264587997175063
Energy: 0.6613548567848492
Energy: 0.5855703611650799
Energy: 0.6264587997224589
Energy: 0.5885652531944159
Energy: 0.5970981730669493
Energy: 0.6581095296220901
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Energy: 0.5970981730719019
Energy: 0.6581095296187885
Energy: 0.5885652531894634
Energy: 0.5970981730669493
Energy: 0.6581095296171375
Energy: 0.588565253192765
Energy: 0.5984342029441415
Energy: 0.6154388661283011
Energy: 0.624444416081507
Energy: 0.5984342029457923
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Energy: 0.6244444160782053
Energy: 0.5984342029474431
Energy: 0.6154388528266429
Energy: 0.6244444160732527
Energy: 0.5984342029457923
Energy: 0.622537260088048
Energy: 0.6059616878165446
Energy: 0.5955748681739518
Energy: 0.6225372600847462
Energy: 0.6059616878132428
Energy: 0.5955748681739518
Energy: 0.6225372600814445
Energy: 0.6059616878099712
Energy: 0.5955748681706502
Energy: 0.6225372600847462
Energy: 0.5891276740545922
Energy: 0.5890788435936247
Energy: 0.6172612823191502
Energy: 0.5891276740479888
Energy: 0.5890788435952755
Energy: 0.6172612823174993
Energy: 0.5891276740496396
Energy: 0.5890788435969263
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Energy: 0.5891276740479888
Energy: 0.658418417117425
Energy: 0.5858975907312162
Energy: 0.6101503286308261
Energy: 0.6584184171190758
Energy: 0.5858975907312162
Energy: 0.6101503286341279
Energy: 0.6584184171256492
Energy: 0.5858975907295654
Energy: 0.6101503286357787
Energy: 0.658418417117425
Energy: 0.6136576329670196
Energy: 0.5950383029084423
Energy: 0.668903295337412
Energy: 0.6136576329670196
Energy: 0.5950383029051405
Energy: 0.6689032953390628
Energy: 0.6136576329637177
Energy: 0.5950383029018388
Energy: 0.6689032953390628
Energy: 0.6136576329686704
Energy: 0.617319851103933
Energy: 0.6037897820821193
Energy: 0.5797277052794729
Energy: 0.617319851103933
Energy: 0.6037897820887228
Energy: 0.5797277052844254
Energy: 0.6173198511006314
Energy: 0.6037897820821193
Energy: 0.5797277052794729
Energy: 0.6173198511055838
Energy: 0.6043617207896519
Energy: 0.5987850753507994
Energy: 0.6274545150155064
Energy: 0.604363788534058
Energy: 0.5987833205906653
Energy: 0.6274545150188081
Energy: 0.6043617207929537
Energy: 0.5987850753574028
Energy: 0.6274545150237607
Energy: 0.6043637885324071
Energy: 0.5823801883637051
Energy: 0.585900513757341
Energy: 0.5771065371695899
Energy: 0.5823801883686577
Energy: 0.5859005137606428
Energy: 0.5771065371662883
Energy: 0.5823801883670069
Energy: 0.585900513757341
Energy: 0.5771065371695899
Energy: 0.5823801883637051
Energy: 0.6407747541385355
Energy: 0.6055161017840089
Energy: 0.6056032400377144
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Energy: 0.6055161017807072
Energy: 0.6056032400360635
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Energy: 0.6055161017823582
Energy: 0.6056032400344125
Energy: 0.6407747541401865
Energy: 0.5955134645574037
Energy: 0.6335024960196289
Energy: 0.6200141971387071
Energy: 0.5955164040038087
Energy: 0.6335024960245814
Energy: 0.6200141971403579
Energy: 0.5955134645557528
Energy: 0.6335024960229305
Energy: 0.6200141971387071
Energy: 0.5955164040087613
Energy: 0.6202807832136836
Energy: 0.5751715919015747
Energy: 0.6253579691770673
Energy: 0.6202807832202871
Energy: 0.5751715919015747
Energy: 0.6253579691787181
Energy: 0.6202807832202871
Energy: 0.5751715918999238
Energy: 0.6253579691770673
Energy: 0.6202807832169852
Energy: 0.6389053170410113
Energy: 0.6557610624249378
Energy: 0.6729898716368864
Energy: 0.638905317044313
Energy: 0.655761062423287
Energy: 0.6729898716335847
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Energy: 0.6557610624249378
Energy: 0.6729898716368864
Energy: 0.6389053170410113
Energy: 0.6185094534896022
Energy: 0.5776699075599334
Energy: 0.6217839646708985
Energy: 0.6168531928199694
Energy: 0.5776735654859069
Energy: 0.6217839646725494
Energy: 0.6185094525077615
Energy: 0.5776699075681877
Energy: 0.6217839646725494
Energy: 0.6168531936351334
Energy: 0.5964669886238544
Energy: 0.578805988300998
Energy: 0.6573825134081847
Energy: 0.596466988628807
Energy: 0.5788059883059508
Energy: 0.6573825134016111
Energy: 0.5964669886304278
Energy: 0.5788059883076015
Energy: 0.6573825133999603
Energy: 0.5964669886255052
Energy: 0.6206050427879983
Energy: 0.6265682944397462
Energy: 0.5876214377132137
Energy: 0.6206050427863475
Energy: 0.6265682944463494
Energy: 0.5877830034081988
Energy: 0.6206050427846967
Energy: 0.626568294441397
Energy: 0.5876214377132137
Energy: 0.6206050427879983
Energy: 0.5759361437649091
Energy: 0.6348884666976121
Energy: 0.6590822025372444
Energy: 0.5759361437665599
Energy: 0.6348884666992629
Energy: 0.6590822025339427
Energy: 0.5759361437698617
Energy: 0.6348884666959612
Energy: 0.6590822025355935
Energy: 0.5759361437682109
Energy: 0.6035057674738588
Energy: 0.6545141504242853
Energy: 0.6073651426666993
Energy: 0.5937884328957089
Energy: 0.6545141504259362
Energy: 0.6073651426666993
Energy: 0.6035057674755095
Energy: 0.6545141504275871
Energy: 0.607365142671652
Energy: 0.5937884328957089
Energy: 0.6032182993803036
Energy: 0.6403755748013662
Energy: 0.6492156363709515
Energy: 0.5937736636125908
Energy: 0.6403755747964136
Energy: 0.6507889687508452
Energy: 0.6032182993786527
Energy: 0.6403755747964136
Energy: 0.6492156363792059
Energy: 0.5937736636158926
Energy: 0.5758267643452378
Energy: 0.6333964482680056
Energy: 0.6344412539844361
Energy: 0.5758267643435869
Energy: 0.6333964482680056
Energy: 0.6344412539877378
Energy: 0.5758267643518411
Energy: 0.633396448272958
Energy: 0.6344412539794834
Energy: 0.5758267643452378
Energy: 0.5822391889026302
Energy: 0.588670443784893
Energy: 0.5840721723381331
Energy: 0.582239188904281
Energy: 0.5886704437865439
Energy: 0.5840721723315297
Energy: 0.582239188905932
Energy: 0.5886704437865439
Energy: 0.5840721723397839
Energy: 0.5822391889108844
Energy: 0.5966830585652614
Energy: 0.6586375552035023
Energy: 0.5810744415762332
Energy: 0.5966830585652614
Energy: 0.658637555196899
Energy: 0.5809409147390014
Energy: 0.5966830585636105
Energy: 0.6586375551985498
Energy: 0.5810744415828365
Energy: 0.5966830585636105
Energy: 0.663614807526939
Energy: 0.6240318219867431
Energy: 0.5777911146150331
Energy: 0.663614807526939
Energy: 0.6240318219933465
Energy: 0.5777911146133822
Energy: 0.6636148075285898
Energy: 0.6240318219949974
Energy: 0.5777911146117314
Energy: 0.6636148075302407
Energy: 0.5899883949793807
Energy: 0.6630191374563343
Energy: 0.6471911587478779
Energy: 0.5899883949793807
Energy: 0.6630191374579854
Energy: 0.6471911587478779
Energy: 0.5899883949777299
Energy: 0.6630191374579854
Energy: 0.6471911587478779
Energy: 0.5899883949777299
Energy: 0.6672647686145576
Energy: 0.6272781508401076
Energy: 0.5756087017219844
Energy: 0.6672647686112559
Energy: 0.6272781508417585
Energy: 0.5756087017252861
Energy: 0.6672647686112559
Energy: 0.6272781508384568
Energy: 0.5756087017318897
Energy: 0.6672647686112559
Energy: 0.595099193705545
Energy: 0.6060271979077345
Energy: 0.6051835099381514
Energy: 0.5950991937022432
Energy: 0.6060271979044329
Energy: 0.6051835099365005
Energy: 0.5950991937071958
Energy: 0.6060271979093854
Energy: 0.6051835099398022
Energy: 0.5950991937022432
Energy: 0.657672857919954
Energy: 0.5968526000749775
Energy: 0.5962272201287494
Energy: 0.6576728579150015
Energy: 0.5968526000766285
Energy: 0.5962272201254477
Energy: 0.657672857919954
Energy: 0.5968526000782793
Energy: 0.5962272201287494
Energy: 0.657672857919954
Energy: 0.6196386866347983
Energy: 0.5763611846850096
Energy: 0.6338779006960574
Energy: 0.6196386866414015
Energy: 0.5763611846850096
Energy: 0.6338779006944064
Energy: 0.6196386866397506
Energy: 0.5763611846850096
Energy: 0.6338779006960574
Energy: 0.6196386866397506
Energy: 0.6026493616723394
Energy: 0.7112167564665859
Energy: 0.6062465218425812
Energy: 0.6026493616706886
Energy: 0.7112167564599825
Energy: 0.6062465218425812
Energy: 0.6026493616673869
Energy: 0.7112167564616333
Energy: 0.606246521844232
Energy: 0.602649361665736
Energy: 0.5994658456840077
Energy: 0.5779073521780886
Energy: 0.6149508558599914
Energy: 0.5994658456873095
Energy: 0.5779068859581795
Energy: 0.6149508558616422
Energy: 0.599465845682357
Energy: 0.5779073521698345
Energy: 0.6149508558550388
Energy: 0.5994658456856587
Energy: 0.596736417178934
Energy: 0.587168445652771
Energy: 0.6575571372422584
Energy: 0.596736417178934
Energy: 0.5871684456461675
Energy: 0.6575571372439093
Energy: 0.596736417178934
Energy: 0.5871684456428659
Energy: 0.6575571372455601
Energy: 0.5967364171739814
Energy: 0.5934021034815259
Energy: 0.6090864686493846
Energy: 0.5858980161484741
Energy: 0.5934021034815259
Energy: 0.6090864686477336
Energy: 0.5858975148485399
Energy: 0.593402103478224
Energy: 0.6090864686493846
Energy: 0.5858980161517758
Energy: 0.5934021034831767
Energy: 0.5759547986302839
Energy: 0.6042241521709051
Energy: 0.5812787854572906
Energy: 0.5759547986319347
Energy: 0.6042241521692543
Energy: 0.5812787854572906
Energy: 0.5759547986302839
Energy: 0.6042241521659526
Energy: 0.581278785452338
Energy: 0.5759547986335856
Energy: 0.5935191235275179
Energy: 0.652603673346673
Energy: 0.6789987795084208
Energy: 0.5935191235308196
Energy: 0.6526036733450221
Energy: 0.6789987795133735
Energy: 0.5935191235308196
Energy: 0.652603673346673
Energy: 0.6789987795117225
Energy: 0.5935191235308196

minimum gb energy = 0.5751715918999238 eV
minimum distance =  2.56004495091999 Angstroms
sigma value = 437


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

Energy: 0.562705081255618
Energy: 0.5643315207211496
Energy: 0.564125905140617
Energy: 0.5627050812544151
Energy: 0.5643315207181424
Energy: 0.5641259051388128
Energy: 0.562705081255618
Energy: 0.564331520721751
Energy: 0.564125905140617
Energy: 0.5627050812544151
Energy: 0.581919474378793
Energy: 0.5505744354646686
Energy: 0.5555315639656981
Energy: 0.581919474378793
Energy: 0.5505744354622628
Energy: 0.5555315639675025
Energy: 0.5819194743805973
Energy: 0.5505744354646686
Energy: 0.5555315639650966
Energy: 0.5819194743697715
Energy: 0.6159446984251525
Energy: 0.5442315241962733
Energy: 0.66718321540983
Energy: 0.6159446984269294
Energy: 0.5442315241962733
Energy: 0.6671832154080257
Energy: 0.6159446984251525
Energy: 0.5442315241968749
Energy: 0.6671832154116343
Energy: 0.6159446984269294
Energy: 0.6129537974846182
Energy: 0.6151210312091825
Energy: 0.5755834892589621
Energy: 0.6129537974846182
Energy: 0.6151210312037695
Energy: 0.5755834892577592
Energy: 0.6129537974846182
Energy: 0.6151210312055739
Energy: 0.5755834892589621
Energy: 0.6129537974840168
Energy: 0.5777823370309184
Energy: 0.5547548759290092
Energy: 0.6058168551433862
Energy: 0.5777823370297155
Energy: 0.5547548759278063
Energy: 0.6058168554644167
Energy: 0.5777823370309184
Energy: 0.5547548759290092
Energy: 0.6058168552840677
Energy: 0.577782337030317
Energy: 0.5751296623099263
Energy: 0.6323154785597661
Energy: 0.55107046308832
Energy: 0.5751296623087234
Energy: 0.6323154785597661
Energy: 0.5510704630877185
Energy: 0.5751296623093248
Energy: 0.6323154785603675
Energy: 0.55107046308832
Energy: 0.5751296623093248
Energy: 0.5769844019510655
Energy: 0.562301313747252
Energy: 0.5443370530496423
Energy: 0.5769844019486595
Energy: 0.562301313747252
Energy: 0.5443370530508452
Energy: 0.5769844019504639
Energy: 0.562301313747252
Energy: 0.5443370530496423
Energy: 0.6081232374074605
Energy: 0.568329244747968
Energy: 0.6463393337819843
Energy: 0.5541291865031444
Energy: 0.5683292447473666
Energy: 0.6463393337789771
Energy: 0.5541291865037458
Energy: 0.568329244747968
Energy: 0.6463393337819843
Energy: 0.5541291865043199
Energy: 0.568329244747968
Energy: 0.6664167245401871
Energy: 0.5544300109803171
Energy: 0.5548979782680195
Energy: 0.6664167245401871
Energy: 0.5544300109803171
Energy: 0.5548979782656136
Energy: 0.6664167245401871
Energy: 0.5544300109803171
Energy: 0.5548979782680195
Energy: 0.6664167245401871
Energy: 0.6097528565035422
Energy: 0.5746726489352535
Energy: 0.6305410184016966
Energy: 0.6097528565035422
Energy: 0.5746726489376591
Energy: 0.6305410184041024
Energy: 0.6097528565029408
Energy: 0.5746726489418692
Energy: 0.6305410184028994
Energy: 0.6097528565035422
Energy: 0.5984902230741157
Energy: 0.5984001389588317
Energy: 0.5683388827239447
Energy: 0.5984902230741157
Energy: 0.5984001389588317
Energy: 0.5683388827245461
Energy: 0.5984902230741157
Energy: 0.5984001389588317
Energy: 0.5683388827251475
Energy: 0.5984902230735143
Energy: 0.5756232455191338
Energy: 0.5512931483891488
Energy: 0.5582139551051997
Energy: 0.5756232455197351
Energy: 0.5512931483885474
Energy: 0.5582139551076055
Energy: 0.5756232455185322
Energy: 0.5512931483891488
Energy: 0.5582139551051997
Energy: 0.5756232455191338
Energy: 0.5550249659488313
Energy: 0.5825197859643516
Energy: 0.5548981651398313
Energy: 0.5550249659506357
Energy: 0.5825197859625473
Energy: 0.55489816513923
Energy: 0.5550249659488313
Energy: 0.5825197859637502
Energy: 0.5548981651398313
Energy: 0.5550249659506357
Energy: 0.5589006741764825
Energy: 0.5568719068014583
Energy: 0.5533221386826865
Energy: 0.5589006741764825
Energy: 0.5568719068020598
Energy: 0.5533221386838894
Energy: 0.5589006741764825
Energy: 0.556871906800857
Energy: 0.5533221386832878
Energy: 0.5589006741776853

minimum gb energy = 0.5442315241962733 eV
minimum distance =  2.56539505791187 Angstroms
sigma value = 33