Model name: model_name=EAM_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_002
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=4.032082897424699
cohesive_energy=3.3602642542189236
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: 0.011810526883131332
Energy: 0.18679436492164697
Energy: 0.18679436492048507
Energy: 0.011810526884293258
Energy: 0.18679436492048507
Energy: 0.18679436492048507
Energy: 0.011810526884293258
Energy: 0.18679436492164697
Energy: 0.18679436492048507
Energy: 0.011810526884293258
Energy: 0.18599845097352888
Energy: 0.012361822899645292
Energy: 0.7693829979889192
Energy: 0.18599845097352888
Energy: 0.01236182290080722
Energy: 0.769382997990081
Energy: 0.18599845097236695
Energy: 0.012361822899645292
Energy: 0.7693829979889192
Energy: 0.18599845097352888
Energy: 0.18599845097352888
Energy: 0.33920406216759996
Energy: 0.09320692099928965
Energy: 0.09320692099928965
Energy: 0.11400849036486006
Energy: 0.09320692100277543
Energy: 0.09320692100277543
Energy: 0.2973016651188027
Energy: 0.2455828391607393
Energy: 0.2455828391607393
Energy: 0.18599845097352888
Energy: 0.7693829979889192
Energy: 0.01236182290080722
Energy: 0.18599845097352888
Energy: 0.7693829979889192
Energy: 0.012361822899645292
Energy: 0.18599845097352888
Energy: 0.7693829979889192
Energy: 0.01236182290080722
Energy: 0.18599845097352888
Energy: 0.011810526883131332
Energy: 0.18679436492048507
Energy: 0.18679436492164697
Energy: 0.011810526883131332
Energy: 0.18679436492164697
Energy: 0.18679436492048507
Energy: 0.011810526883131332
Energy: 0.18679436492048507
Energy: 0.18679436492048507
Energy: 0.011810526883131332
Energy: 0.18599845097352888
Energy: 0.012361822899645292
Energy: 0.7693829979889192
Energy: 0.18599845097352888
Energy: 0.01236182290080722
Energy: 0.7693829979889192
Energy: 0.18599845097352888
Energy: 0.012361822899645292
Energy: 0.7693829979889192
Energy: 0.18599845097352888
Energy: 0.18599845097352888
Energy: 0.33920406216643806
Energy: 0.012727343838601489
Energy: 0.012727343838601489
Energy: 0.11400849036369815
Energy: 0.012727343838601489
Energy: 0.012727343838601489
Energy: 0.3392040621652761
Energy: 0.09320692100161349
Energy: 0.09320692100161349

minimum gb energy = 0.011810526883131332 eV
minimum distance =  2.7820015648047 Angstroms
sigma value = 3


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

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Energy: 0.621160729926981
Energy: 0.5835469144773077
Energy: 0.472855554280535
Energy: 0.6211607299241348
Energy: 0.5835469144764539
Energy: 0.5078036886633233
Energy: 0.6211607299201503
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Energy: 0.472855554280535
Energy: 0.5307201315480288
Energy: 0.48517236918579815
Energy: 0.5668566329156853
Energy: 0.5307201315500212
Energy: 0.4851723691877904
Energy: 0.5668566329176776
Energy: 0.530720131544898
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Energy: 0.5307201315505904
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Energy: 0.5954487685485095
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Energy: 0.6191596656860301
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Energy: 0.6054542243981069
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Energy: 0.48218893215056907
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Energy: 0.5361544464431434
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Energy: 0.5676530374497761
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Energy: 0.5676530374548991
Energy: 0.484866845947465
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Energy: 0.5836873047554738
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Energy: 0.4283868520651735
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Energy: 0.44917938065632923
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Energy: 0.5345167229283901
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Energy: 0.5353231121983222
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Energy: 0.47775432795066425
Energy: 0.5348153746011606
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Energy: 0.534815374602299
Energy: 0.4849733346960571
Energy: 0.4777543279467056
Energy: 0.5348153745949248
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Energy: 0.4777543279486978
Energy: 0.47340260674000245
Energy: 0.6211607299272656
Energy: 0.5835469144778769
Energy: 0.496958042497231
Energy: 0.6211607299252733
Energy: 0.5835469144747463
Energy: 0.4734026067391487
Energy: 0.6211607299212887
Energy: 0.5835469144775923
Energy: 0.4969580424969464
Energy: 0.5307201315468904
Energy: 0.48517236918693657
Energy: 0.5668566329148315
Energy: 0.530720131539775
Energy: 0.48517236918864426
Energy: 0.5668566329154007
Energy: 0.5307201315403443
Energy: 0.48517236918665196
Energy: 0.5668566329176776
Energy: 0.5307201315417673
Energy: 0.5535835556887724
Energy: 0.5897317312305238
Energy: 0.5954486485111145
Energy: 0.5104468554065941
Energy: 0.5897317312322314
Energy: 0.5954487100077163
Energy: 0.553583555687634
Energy: 0.58973173123337
Energy: 0.5954488663211518
Energy: 0.5104468554063095
Energy: 0.6054542243952609
Energy: 0.6191596656880224
Energy: 0.4493281562978208
Energy: 0.6054542243986761
Energy: 0.61915966568973
Energy: 0.4493281562989592
Energy: 0.6054542243975377
Energy: 0.619159665686884
Energy: 0.4493281563000977
Energy: 0.6054542243989609

minimum gb energy = 0.4282849321374494 eV
minimum distance =  2.55708210957127 Angstroms
sigma value = 75


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

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Energy: 0.4712237223548648
Energy: 0.470965794698534
Energy: 0.5179041754884293
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minimum gb energy = 0.46417367026418493 eV
minimum distance =  2.55861476338062 Angstroms
sigma value = 105


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

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Energy: 0.5044498410171475
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Energy: 0.48142542873893157
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Energy: 0.5044498410193126
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Energy: 0.49333911477355896
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Energy: 0.4933391147748124
Energy: 0.5126601082907728
Energy: 0.5451613729584178
Energy: 0.49333911477278986
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Energy: 0.5161840621216681
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Energy: 0.49647402110544225
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Energy: 0.4964740211012263
Energy: 0.5161840621199589
Energy: 0.4940634545173886
Energy: 0.4964740211026221
Energy: 0.516184062122608
Energy: 0.5026971091502103
Energy: 0.5249781750409263
Energy: 0.5070019122815509
Energy: 0.5026971091492703
Energy: 0.5117566656980428
Energy: 0.5070019122801549
Energy: 0.5026971091439719
Energy: 0.5249781750393596
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Energy: 0.5026971091471053
Energy: 0.5367507270710598
Energy: 0.5272481988757611
Energy: 0.5465607561731517
Energy: 0.5367507270721422
Energy: 0.5273651763477563
Energy: 0.5465607561758009
Energy: 0.536750727070433
Energy: 0.5272481988757611
Energy: 0.5465607561751743
Energy: 0.5367507270723131
Energy: 0.5427206605482584
Energy: 0.47284095833665324
Energy: 0.5179249598608987
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Energy: 0.5179249598616679
Energy: 0.5427206605512209
Energy: 0.4728409583342889
Energy: 0.5179249598582211
Energy: 0.5427206605473183

minimum gb energy = 0.47255115754392857 eV
minimum distance =  2.53699045741164 Angstroms
sigma value = 165


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

Energy: 0.45424228359351204
Energy: 0.47106117046975376
Energy: 0.4710143118329605
Energy: 0.45424228359082264
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Energy: 0.5049061256273963
Energy: 0.4586151996449421
Energy: 0.5126792541801429
Energy: 0.504906125628472
Energy: 0.4586151996444043
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Energy: 0.5049061256279341
Energy: 0.4586151996454799
Energy: 0.5126792541801429
Energy: 0.504906125628472
Energy: 0.4503925326228732
Energy: 0.4386283645671535
Energy: 0.4420062251444988
Energy: 0.4503925326217975
Energy: 0.43862836456769133
Energy: 0.4420062251482639
Energy: 0.45039253262341106
Energy: 0.43862836456822923
Energy: 0.442006225147726
Energy: 0.4503925326217975
Energy: 0.513791531813985
Energy: 0.5324547693036633
Energy: 0.45615177037678206
Energy: 0.513791531813985
Energy: 0.5324547693031254
Energy: 0.45615177037301696
Energy: 0.513791531813985
Energy: 0.5324547693042011
Energy: 0.45615177037463056
Energy: 0.513791531813985
Energy: 0.45424228359512553
Energy: 0.47106117046975376
Energy: 0.4710143118334984
Energy: 0.45424228359243624
Energy: 0.4710611704681401
Energy: 0.47101431183080905
Energy: 0.45424228359512553
Energy: 0.47106117046921586
Energy: 0.47101431183242265
Energy: 0.45424228359243624

minimum gb energy = 0.4201648936088735 eV
minimum distance =  2.63281790116418 Angstroms
sigma value = 41


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

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Energy: 0.43625230171032725
Energy: 0.42784909805590393
Energy: 0.46225745602630136
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Energy: 0.4559587180505947
Energy: 0.46124552503080146
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Energy: 0.4805874362497932
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Energy: 0.41857565099934985
Energy: 0.46500014274722495
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Energy: 0.4689601201892211
Energy: 0.40226047473266274
Energy: 0.41082963807089434
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Energy: 0.40117374824636703
Energy: 0.42775777089107875
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Energy: 0.44906140601352545
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Energy: 0.41652839893895
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Energy: 0.43783969651442645
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Energy: 0.4306562841306777
Energy: 0.4378396965154889
Energy: 0.4051019035522833
Energy: 0.46170777250652256
Energy: 0.46445691765197655
Energy: 0.40510190354477055
Energy: 0.4617077725146804
Energy: 0.46445691765095204
Energy: 0.40510190353767517
Energy: 0.46170777251885425
Energy: 0.46445691764803043
Energy: 0.4051019035454156
Energy: 0.41370953178765224
Energy: 0.4017441693335958
Energy: 0.46276624384389153
Energy: 0.41370953178575515
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Energy: 0.462766243838883
Energy: 0.4137095317889044
Energy: 0.4017441693361
Energy: 0.4627662438430568
Energy: 0.41370953178992886
Energy: 0.4513074211711587
Energy: 0.45147565574054294
Energy: 0.3868355662081273
Energy: 0.45130742116592243
Energy: 0.4509738343703111
Energy: 0.38683556620664755
Energy: 0.4513074211707413
Energy: 0.45147565574471676
Energy: 0.38683556620289117
Energy: 0.45130742117760897
Energy: 0.3997351996318648
Energy: 0.4074751502247236
Energy: 0.4071033851046116
Energy: 0.39973519963789783
Energy: 0.4075843543928973
Energy: 0.4070984851689732
Energy: 0.3997351996316372
Energy: 0.4074751502315914
Energy: 0.407103385104384
Energy: 0.39973519963103
Energy: 0.41191025451012897
Energy: 0.40538185019119166
Energy: 0.3941613407797215
Energy: 0.41191025450910446
Energy: 0.4053615953282736
Energy: 0.39416134077846937
Energy: 0.41191025450804203
Energy: 0.4053818501934683
Energy: 0.3941613407797215
Energy: 0.4119102545097116
Energy: 0.43758563989008264
Energy: 0.4045077028959222
Energy: 0.39908637021907517
Energy: 0.4375856398952809
Energy: 0.40451261985214293
Energy: 0.39908637022347654
Energy: 0.4375856398925489
Energy: 0.4045077028921658
Energy: 0.39908637022013754
Energy: 0.4375856398890202
Energy: 0.4374519137356552
Energy: 0.39970820703656185
Energy: 0.39794375472159965
Energy: 0.43745191373356834
Energy: 0.39970820703656185
Energy: 0.39794375472368654
Energy: 0.4374519137348205
Energy: 0.3997082070399009
Energy: 0.39794375472596316
Energy: 0.4374519137348205

minimum gb energy = 0.38683556620289117 eV
minimum distance =  2.5751780778721 Angstroms
sigma value = 185


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

Energy: 0.164422760033009
Energy: 0.24190849203922263
Energy: 0.24193529107898248
Energy: 0.14332888058871188
Energy: 0.2419084920429385
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Energy: 0.14332888058871188
Energy: 0.16541169128256944
Energy: 0.2498371992314562
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Energy: 0.16541169128281719
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Energy: 0.24954365626684538
Energy: 0.1592007966038142
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Energy: 0.2007207474991953
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Energy: 0.17833350983226548
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Energy: 0.258882520958806
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Energy: 0.2588825209580628
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Energy: 0.15923242909603413
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Energy: 0.14332888058871188
Energy: 0.24190849204169987
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Energy: 0.14332888058821644
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Energy: 0.24193529107749612
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Energy: 0.2419084920429385
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Energy: 0.16541169128232172
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Energy: 0.2252196012396225
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Energy: 0.2498371992304653
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Energy: 0.15920079660554828
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Energy: 0.24231985951320267
Energy: 0.17833350983399957
Energy: 0.20072074749671806
Energy: 0.24231985951196403
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Energy: 0.2423198595117163
Energy: 0.17833350983375185
Energy: 0.20072074749547944
Energy: 0.24221627567155782
Energy: 0.24267745646919975
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Energy: 0.18679689186027523
Energy: 0.24232782086504576
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Energy: 0.24232782086876162
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Energy: 0.18679689186052295
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Energy: 0.258882520958806
Energy: 0.1436822900066524
Energy: 0.24267460848580247
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Energy: 0.1436822900066524
Energy: 0.24267460848505934
Energy: 0.2588825209593014
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Energy: 0.25888252095954917
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Energy: 0.17462848363636468
Energy: 0.24189297660225592
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Energy: 0.24189297660399003
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Energy: 0.18486766763256415
Energy: 0.14381451047722496
Energy: 0.15923242909826363
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Energy: 0.16548900869825034
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Energy: 0.14332888058846416
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Energy: 0.14332888058871188
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Energy: 0.24221627566883291
Energy: 0.25845745503631895
Energy: 0.20484593655120958
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Energy: 0.15948396855741542
Energy: 0.18679689186151385
Energy: 0.24232782086578897
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Energy: 0.18679689186052295
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Energy: 0.25888252095831055
Energy: 0.1436822900069001
Energy: 0.24267460848654568
Energy: 0.25888252095905373
Energy: 0.14368229000640464
Energy: 0.24267460848505934
Energy: 0.25888252095905373
Energy: 0.143682290007891
Energy: 0.24267460848530706
Energy: 0.25888252095979686
Energy: 0.1848676676342982
Energy: 0.17462848363760328
Energy: 0.24189297660374232
Energy: 0.1848676676342982
Energy: 0.17462848363859418
Energy: 0.24189297660423772
Energy: 0.18486766763504137
Energy: 0.17462848364107142
Energy: 0.24189297660473316
Energy: 0.18486766763281184
Energy: 0.1438145104779681
Energy: 0.15923242909925453
Energy: 0.24946226674549096
Energy: 0.14381451047623403
Energy: 0.1592324290980159
Energy: 0.24946226674474778
Energy: 0.14381451047648178
Energy: 0.159232429097025
Energy: 0.24946226674672956
Energy: 0.1438145104779681
Energy: 0.16548900869800262
Energy: 0.20393088560306344
Energy: 0.2500173795186494
Energy: 0.16548900869998442
Energy: 0.20393088560405437
Energy: 0.250017379519888
Energy: 0.16548900870171848
Energy: 0.20393088560603617
Energy: 0.25001737951792874
Energy: 0.16548900870171848

minimum gb energy = 0.14332888058821644 eV
minimum distance =  2.67802694168647 Angstroms
sigma value = 33


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

Energy: 0.4158424459236697
Energy: 0.40609720811350225
Energy: 0.4060989851254533
Energy: 0.40523408843854053
Energy: 0.406097208120302
Energy: 0.4060989851268132
Energy: 0.4158424459236697
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Energy: 0.40609898512409337
Energy: 0.40523408843854053
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Energy: 0.3720772021582395
Energy: 0.3873115978515711
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Energy: 0.4357163254221883
Energy: 0.3600112947990921
Energy: 0.4079281700016762
Energy: 0.4355478552505134
Energy: 0.36001129479773214
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Energy: 0.44535547959737914
Energy: 0.3717353157955402
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Energy: 0.44535547959873906
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Energy: 0.3830175790487163
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Energy: 0.4119547538996814
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Energy: 0.3866400414895859
Energy: 0.3616895975297987
Energy: 0.4056882973620015
Energy: 0.4066245316606305
Energy: 0.4067066082781455
Energy: 0.4056882973647214
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Energy: 0.3742560955024295

minimum gb energy = 0.3394925575600301 eV
minimum distance =  2.55369839081848 Angstroms
sigma value = 219


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

Energy: 0.4194323986758005
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Energy: 0.4957450829891348
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Energy: 0.41996532682088705
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Energy: 0.49561525454531147
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Energy: 0.49932251552761264
Energy: 0.51682914170025
Energy: 0.49533654756031026
Energy: 0.4993225155258125
Energy: 0.51682914170025

minimum gb energy = 0.4194323986758005 eV
minimum distance =  2.62590206862918 Angstroms
sigma value = 15


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

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Energy: 0.5847175075260704
Energy: 0.5036905159190478
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Energy: 0.4965736591176836
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minimum gb energy = 0.482687758985477 eV
minimum distance =  2.56200015624047 Angstroms
sigma value = 293


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

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Energy: 0.4902510610505027
Energy: 0.54686943390771
Energy: 0.5652395895012627
Energy: 0.4902510610511126
Energy: 0.54686943390771
Energy: 0.5652395895012627
Energy: 0.49025106105090926
Energy: 0.5468694339073035
Energy: 0.5652395895012627
Energy: 0.49025106105090926
Energy: 0.5493502605472695
Energy: 0.5151884726195627
Energy: 0.5385830603009136
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Energy: 0.5385830603017268
Energy: 0.5493502605474728
Energy: 0.5151884726195627
Energy: 0.5385830603017268
Energy: 0.5493502605474728
Energy: 0.5712871058752884
Energy: 0.5549639411947215
Energy: 0.48953781022085363
Energy: 0.5712871058754917
Energy: 0.5549639411945182
Energy: 0.4895378102214635
Energy: 0.571287105875085
Energy: 0.5549639411943149
Energy: 0.48953781022126025
Energy: 0.571287105875085
Energy: 0.5032125048615512
Energy: 0.6407878553644791
Energy: 0.4830782601948666
Energy: 0.503212504862161
Energy: 0.6407878553642758
Energy: 0.48307826019547656
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Energy: 0.6407878553642758
Energy: 0.4830782601946634
Energy: 0.5032125048617544
Energy: 0.4863885465558997
Energy: 0.4855908226655576
Energy: 0.4893457397023937
Energy: 0.48638854655671293
Energy: 0.48559082266657405
Energy: 0.4893457397030036
Energy: 0.4863885465571195
Energy: 0.4855908226657609
Energy: 0.4893457397017838
Energy: 0.4863885465565096
Energy: 0.534705341875567
Energy: 0.5316526310880083
Energy: 0.4904832561292966
Energy: 0.5347053418757702
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Energy: 0.49048325612889
Energy: 0.5347053418753636
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Energy: 0.509457039283625
Energy: 0.5659933028283755
Energy: 0.565895522755052
Energy: 0.5094570392838282
Energy: 0.5659933028283755
Energy: 0.5658955227556618
Energy: 0.509457039283625
Energy: 0.5659933028283755
Energy: 0.5658955227552551
Energy: 0.509457039283625
Energy: 0.5345540141039108
Energy: 0.49032938865475606
Energy: 0.5317132920480594
Energy: 0.5345540141035042
Energy: 0.49032938865475606
Energy: 0.5317132920474495
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Energy: 0.49032938865475606
Energy: 0.5317132920480594
Energy: 0.5345540141041142
Energy: 0.4866953745018592
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Energy: 0.4856369623301974
Energy: 0.48669537450063943
Energy: 0.4892288100996074
Energy: 0.4856369623312139
Energy: 0.48669537450165584
Energy: 0.48922881010001396
Energy: 0.48563696233040066
Energy: 0.48669537450063943
Energy: 0.5032603621878685
Energy: 0.4839207453577329
Energy: 0.6409049120953815
Energy: 0.5032603621880718
Energy: 0.4839207453569197
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Energy: 0.5032603621886816
Energy: 0.48392074535712304
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Energy: 0.5032603621882751
Energy: 0.571861968168354
Energy: 0.4895414473287007
Energy: 0.5549190255006432
Energy: 0.5718619681697771
Energy: 0.48954144732849736
Energy: 0.5549190255004399
Energy: 0.571861968168964
Energy: 0.4895414473287007
Energy: 0.5549190255008465
Energy: 0.5718619681691672
Energy: 0.5493495594331651
Energy: 0.5386170026491355
Energy: 0.5151055835423233
Energy: 0.5493495594337751
Energy: 0.538617002651575
Energy: 0.515105583542933
Energy: 0.5493495594331651
Energy: 0.538617002651575
Energy: 0.5151055835413066
Energy: 0.5493495594339782
Energy: 0.4902911087492649
Energy: 0.5652051842003254
Energy: 0.5495072263596036
Energy: 0.49029110874946813
Energy: 0.5652051842001221
Energy: 0.5495072263573674
Energy: 0.49029110874946813
Energy: 0.5652051842001221
Energy: 0.5495072263557594
Energy: 0.4902911087492649
Energy: 0.5463989762212224
Energy: 0.4990163884849877
Energy: 0.4990583353811873
Energy: 0.5463989762200026
Energy: 0.49901638848539426
Energy: 0.499058335379561
Energy: 0.5463989762216289
Energy: 0.49901638848539426
Energy: 0.49905833538057753
Energy: 0.5463989762202058
Energy: 0.49025106105070604
Energy: 0.5468694339079134
Energy: 0.5652395895006529
Energy: 0.49025106105070604
Energy: 0.5468694339075068
Energy: 0.565239589501466
Energy: 0.49025106105090926
Energy: 0.5468694339081166
Energy: 0.565239589501466
Energy: 0.4902510610505027
Energy: 0.5493502605474728
Energy: 0.5151884726195627
Energy: 0.5385830603015236
Energy: 0.5493502605470663
Energy: 0.515188472619766
Energy: 0.5385830603007103
Energy: 0.5493502605474728
Energy: 0.5151884726193593
Energy: 0.5385830603017268
Energy: 0.5493502605472695
Energy: 0.5712871058748819
Energy: 0.5549639411930951
Energy: 0.4895378102216668
Energy: 0.5712871058748819
Energy: 0.5549639411924853
Energy: 0.4895378102210569
Energy: 0.5712871058754917
Energy: 0.5549639411922819
Energy: 0.4895378102214635
Energy: 0.5712871058754917
Energy: 0.5032125048619578
Energy: 0.6407878553642758
Energy: 0.48307826019547656
Energy: 0.5032125048619578
Energy: 0.6407878553640726
Energy: 0.4830782601948666
Energy: 0.5032125048619578
Energy: 0.6407878553640726
Energy: 0.4830782601952732
Energy: 0.5032125048619578

minimum gb energy = 0.4830782601946634 eV
minimum distance =  2.64180546971012 Angstroms
sigma value = 293


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

Energy: 0.4937125204672106
Energy: 0.49433324820995855
Energy: 0.4943046823309475
Energy: 0.4937125204683129
Energy: 0.4943332482103259
Energy: 0.4943046823327847
Energy: 0.4937125204675781
Energy: 0.49433324820922364
Energy: 0.49430468233241726
Energy: 0.4937125204683129
Energy: 0.4940018679292967
Energy: 0.4939555212124554
Energy: 0.4944066387075936
Energy: 0.4940018679311339
Energy: 0.49395552121282277
Energy: 0.4944066387083285
Energy: 0.4940018679292967
Energy: 0.4939555212124554
Energy: 0.4944066387057564
Energy: 0.49400186792856177
Energy: 0.4937555563204895
Energy: 0.4938981271659128
Energy: 0.5334850180700336
Energy: 0.4937555563204895
Energy: 0.4938981271666476
Energy: 0.5332677180098845
Energy: 0.4937555563190198
Energy: 0.4938981271651779
Energy: 0.5330744760468628
Energy: 0.4937555563197546
Energy: 0.5332582406731023
Energy: 0.493750296596133
Energy: 0.49374496516219224
Energy: 0.5332089380853984
Energy: 0.4937502965957656
Energy: 0.49374496516255967
Energy: 0.533240467643439
Energy: 0.4937502965968679
Energy: 0.49374496516219224
Energy: 0.5332001411941484
Energy: 0.49438382489313226
Energy: 0.49395231517414284
Energy: 0.4938204552690238
Energy: 0.49438382489313226
Energy: 0.49395231517414284
Energy: 0.49382045527012614
Energy: 0.49438382489421795
Energy: 0.49395231517414284
Energy: 0.4938204552693912
Energy: 0.4943838248938505
Energy: 0.49433324820995855
Energy: 0.49430468233241726
Energy: 0.4937125204672106
Energy: 0.4943332482103259
Energy: 0.49430468233131497
Energy: 0.4937125204679455
Energy: 0.494333248209591
Energy: 0.49430468233204977
Energy: 0.49371252046684316
Energy: 0.4943332482103259
Energy: 0.4939555212120879
Energy: 0.4944066387083285
Energy: 0.49400186792782697
Energy: 0.4939555212124554
Energy: 0.49440663870796103
Energy: 0.49400186792856177
Energy: 0.4939555212117205
Energy: 0.49440663870869594
Energy: 0.49400186792892925
Energy: 0.4939555212131902
Energy: 0.4938981271648105
Energy: 0.5330694548291129
Energy: 0.4937555563190198
Energy: 0.4938981271644431
Energy: 0.5331517006393752
Energy: 0.4937555563197546
Energy: 0.4938981271655453
Energy: 0.5331239715232247
Energy: 0.4937555563197546
Energy: 0.4938981271659128
Energy: 0.4937502965957656
Energy: 0.49374496516182476
Energy: 0.5331951163183953
Energy: 0.493750296596133
Energy: 0.49374496516292704
Energy: 0.5332093810254973
Energy: 0.4937502965965005
Energy: 0.4937449651614573
Energy: 0.5333658371727924
Energy: 0.4937502965968679
Energy: 0.49395231517414284
Energy: 0.4938204552668192
Energy: 0.49438382489532023
Energy: 0.49395231517414284
Energy: 0.4938204552671866
Energy: 0.4943838248945854
Energy: 0.49395231517414284
Energy: 0.4938204552704935
Energy: 0.49438382489495286
Energy: 0.49395231517414284
Energy: 0.4943046823331521
Energy: 0.4937125204679455
Energy: 0.4943332482110607
Energy: 0.4943046823309475
Energy: 0.4937125204672106
Energy: 0.4943332482103259
Energy: 0.4943046823331521
Energy: 0.4937125204683129
Energy: 0.49433324821069335
Energy: 0.49430468233204977
Energy: 0.4944066387064913
Energy: 0.4940018679267247
Energy: 0.4939555212124554
Energy: 0.4944066387075936
Energy: 0.49400186792709205
Energy: 0.49395552121282277
Energy: 0.4944066387064913
Energy: 0.4940018679300316
Energy: 0.4939555212124554
Energy: 0.4944066387083285
Energy: 0.5332476496958664
Energy: 0.4937555563204895
Energy: 0.4938981271659128
Energy: 0.5331503291859944
Energy: 0.4937555563197546
Energy: 0.4938981271655453
Energy: 0.5332681441436653
Energy: 0.4937555563190198
Energy: 0.4938981271648105
Energy: 0.5332589808537209
Energy: 0.4937449651632945
Energy: 0.5332052394175051
Energy: 0.4937502965957656
Energy: 0.49374496516255967
Energy: 0.5332766724951113
Energy: 0.49375029659760283
Energy: 0.4937449651614573
Energy: 0.5331730620452033
Energy: 0.4937502965979702
Energy: 0.4937449651614573
Energy: 0.4938204552671866
Energy: 0.4943838248945854
Energy: 0.49395231517414284
Energy: 0.4938204552679215
Energy: 0.4943838248938505
Energy: 0.49395231517414284
Energy: 0.49382045526828894
Energy: 0.4943838248945854
Energy: 0.49395231517414284
Energy: 0.49382045526828894
Energy: 0.4937125204672106
Energy: 0.4943332482110607
Energy: 0.49430468233241726
Energy: 0.4937125204679455
Energy: 0.49433324820995855
Energy: 0.49430468233204977
Energy: 0.4937125204675781
Energy: 0.4943332482088562
Energy: 0.49430468233241726
Energy: 0.4937125204679455
Energy: 0.4940018679300316
Energy: 0.4939555212124554
Energy: 0.4944066387075936
Energy: 0.4940018679296641
Energy: 0.49395552121282277
Energy: 0.4944066387075936
Energy: 0.4940018679292967
Energy: 0.4939555212131902
Energy: 0.49440663870722623
Energy: 0.49400186792709205
Energy: 0.4937555563186523
Energy: 0.49389812716774995
Energy: 0.5332579215766562
Energy: 0.4937555563197546
Energy: 0.4938981271666476
Energy: 0.5332553243532564
Energy: 0.4937555563197546
Energy: 0.4938981271659128
Energy: 0.5332310233334536
Energy: 0.4937555563208569
Energy: 0.5332192998865394
Energy: 0.4937502965957656
Energy: 0.49374496516182476
Energy: 0.5334997999638985
Energy: 0.49375029659503067
Energy: 0.49374496516292704
Energy: 0.5331860054915899
Energy: 0.49375029659760283
Energy: 0.49374496516366195
Energy: 0.5331939516034517
Energy: 0.4943838248938505
Energy: 0.49395231517414284
Energy: 0.493820455270861
Energy: 0.49438382489349975
Energy: 0.49395231517414284
Energy: 0.4938204552657169
Energy: 0.4943838248938505
Energy: 0.49395231517414284
Energy: 0.49382045526828894
Energy: 0.4943838248938505
Energy: 0.49433324820995855
Energy: 0.49430468233204977
Energy: 0.4937125204672106
Energy: 0.49433324821142827
Energy: 0.49430468233204977
Energy: 0.4937125204675781
Energy: 0.4943332482081213
Energy: 0.4943046823302127
Energy: 0.4937125204672106
Energy: 0.4943332482110607
Energy: 0.4939555212124554
Energy: 0.4944066387083285
Energy: 0.494001867930399
Energy: 0.49395552121282277
Energy: 0.4944066387064913
Energy: 0.4940018679296641
Energy: 0.4939555212124554
Energy: 0.4944066387075936
Energy: 0.4940018679307664
Energy: 0.49395552121282277

minimum gb energy = 0.49371252046684316 eV
minimum distance =  2.61030974811964 Angstroms
sigma value = 15


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

Energy: 0.530659990944651
Energy: 0.5652827013603848
Energy: 0.5508846060229986
Energy: 0.5177166607620105
Energy: 0.5652827013570536
Energy: 0.5508846060213329
Energy: 0.5306599909379887
Energy: 0.5652827013537225
Energy: 0.5508846060196675
Energy: 0.5177166607620105
Energy: 0.5591657776174246
Energy: 0.5239326971557334
Energy: 0.538738826257616
Energy: 0.5591657776190901
Energy: 0.5239326971540678
Energy: 0.5387388262609473
Energy: 0.5591657776174246
Energy: 0.5239326971490711
Energy: 0.5387388262592817
Energy: 0.5591657776190901
Energy: 0.531375873402265
Energy: 0.5239351714647015
Energy: 0.58597329410059
Energy: 0.5313758734055962
Energy: 0.5239351714663671
Energy: 0.5859732941022556
Energy: 0.5313758734055962
Energy: 0.5239351714663671
Energy: 0.5859732941055866
Energy: 0.5313758733989339
Energy: 0.511790512517014
Energy: 0.5239554550889777
Energy: 0.5058443312690006
Energy: 0.5117905125136829
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Energy: 0.5058443312723319
Energy: 0.511790512517014
Energy: 0.5239554550906433
Energy: 0.5058443312739974
Energy: 0.5117905125186797
Energy: 0.5528782767238626
Energy: 0.5233846974889028
Energy: 0.5880453914068523
Energy: 0.552878276722197
Energy: 0.5233846974789095
Energy: 0.5880453914118491
Energy: 0.5528782767205314
Energy: 0.5233846974822405
Energy: 0.5880453914168458
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Energy: 0.5298751670269344
Energy: 0.5844636447041095
Energy: 0.5046901713993087
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Energy: 0.559999637620529
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Energy: 0.5381482531234058
Energy: 0.5297684559226793
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Energy: 0.5214034072489855
Energy: 0.5664966494271828
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Energy: 0.566496649430514
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Energy: 0.5214034072473502
Energy: 0.6049138850897454
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Energy: 0.6049138850880799
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Energy: 0.5484977076419973
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Energy: 0.5176630081716519
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Energy: 0.5436617444310173
Energy: 0.5188052680328918
Energy: 0.5415905438320274
Energy: 0.543661744424355
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Energy: 0.5061748261021306
Energy: 0.5723405263747097
Energy: 0.5436390221206774
Energy: 0.506045796241606
Energy: 0.5723405263747097
Energy: 0.5436390221206774
Energy: 0.5061748260987995
Energy: 0.5723405263797063
Energy: 0.5436390221190118
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Energy: 0.5058083776754754
Energy: 0.559171370677819
Energy: 0.572570477227452
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Energy: 0.5725704772291175
Energy: 0.5058083776788065
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Energy: 0.5725704772324486
Energy: 0.5032736000495964
Energy: 0.5084342631483932
Energy: 0.609242610174602
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Energy: 0.6092426101696053
Energy: 0.5032736000595899
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Energy: 0.6092426101729366
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Energy: 0.5435269222684713
Energy: 0.5995617482423402
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Energy: 0.5995617482406745
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Energy: 0.599561748247337
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Energy: 0.5147971784748917
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Energy: 0.514797178469895
Energy: 0.5834635174000892
Energy: 0.5593640457182254
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Energy: 0.5834635174034204
Energy: 0.5593640457165597
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Energy: 0.5212670063913418
Energy: 0.5809812122768554
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Energy: 0.5730535692702464
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Energy: 0.5730535692752432
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Energy: 0.5803188750654116
Energy: 0.5355042351955852
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Energy: 0.5803188750687427
Energy: 0.5355042351972508
Energy: 0.5364501461118402
Energy: 0.5803188750670771
Energy: 0.5355042351972508
Energy: 0.5364501461118402
Energy: 0.580318875063746
Energy: 0.5132700315318431
Energy: 0.5659471729219612
Energy: 0.5308969102538967
Energy: 0.5132700315301776
Energy: 0.5659471729202955
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Energy: 0.5132700315285119
Energy: 0.5659471729186301
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Energy: 0.560976134631928
Energy: 0.5126763716882238
Energy: 0.5249872059500532
Energy: 0.5609761346302623
Energy: 0.5300927835409108
Energy: 0.521581867644956
Energy: 0.5685886626454417
Energy: 0.5300927835359142
Energy: 0.5215818676466215
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Energy: 0.5300927835342485
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Energy: 0.5685886626521041
Energy: 0.5300927835375797
Energy: 0.5266286161947866
Energy: 0.6461149799617276
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Energy: 0.646114979956731
Energy: 0.506963358149583
Energy: 0.5266286161914555
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Energy: 0.5069633581462518
Energy: 0.5266286161864588
Energy: 0.5280186233624147
Energy: 0.5241307668912398
Energy: 0.5396752933923705
Energy: 0.5286871712594999
Energy: 0.5243073268378189
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Energy: 0.5280186233540868
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Energy: 0.574166109837284
Energy: 0.5750520491480593
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Energy: 0.5575369964759864
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Energy: 0.5176060044426156
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Energy: 0.5845198414945906
Energy: 0.5549997846519406
Energy: 0.5176060044442813
Energy: 0.5099608691898858
Energy: 0.6358588264802754
Energy: 0.5588501659958975
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Energy: 0.5588501659958975
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Energy: 0.6358588264836065
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Energy: 0.593256207520804
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Energy: 0.5802605125867422
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Energy: 0.5802605125883775
Energy: 0.5932562075341287
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Energy: 0.611403013480809
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Energy: 0.6114030134841403
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Energy: 0.5065116995181741
Energy: 0.6114030134791435
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Energy: 0.5624003382546474
Energy: 0.5605401509218144
Energy: 0.5592418784066163
Energy: 0.5624003382546474
Energy: 0.5605401509168176
Energy: 0.5592418784082819
Energy: 0.5624003382546474
Energy: 0.5605401509134865
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Energy: 0.5444508055077129
Energy: 0.511742984760882
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Energy: 0.5444508055043819
Energy: 0.5117429847625474
Energy: 0.5676324765099413
Energy: 0.5444508055093785
Energy: 0.5117429847575508
Energy: 0.5676324765149379
Energy: 0.51751031417104
Energy: 0.5672082578947385
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Energy: 0.5175103141743712
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Energy: 0.5388902360244349
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Energy: 0.533135719062866
Energy: 0.52477884473978
Energy: 0.5566329568561967
Energy: 0.526102463261702
Energy: 0.5178200103345747
Energy: 0.5566329568528657
Energy: 0.5331357190695284
Energy: 0.5247788447381145
Energy: 0.5566329568545313
Energy: 0.6320417947749607
Energy: 0.5080414265315112
Energy: 0.5476546735973198
Energy: 0.6320417947832886
Energy: 0.5080414265315112
Energy: 0.5476546735906576
Energy: 0.6320417947832886
Energy: 0.5080414265315112
Energy: 0.5476546735989853
Energy: 0.6320417947782918
Energy: 0.5244307966497527
Energy: 0.6011695083563656
Energy: 0.5243201614304198
Energy: 0.5244307966497527
Energy: 0.6011695083596968
Energy: 0.5243201614304198
Energy: 0.5244307966430904
Energy: 0.6011695083596968
Energy: 0.5243201614320855
Energy: 0.5244307966480871
Energy: 0.557770483445899
Energy: 0.5055494040252682
Energy: 0.6294827244163547
Energy: 0.5577704834475645
Energy: 0.5055705592971771
Energy: 0.6294827244180202
Energy: 0.557770483445899
Energy: 0.5055494040236026
Energy: 0.6294827244180202
Energy: 0.5577704834425677
Energy: 0.5684555184570621
Energy: 0.5208521294227219
Energy: 0.5583035642599916
Energy: 0.5684555184570621
Energy: 0.5208521294243874
Energy: 0.5583035642616572
Energy: 0.5684555184570621
Energy: 0.5208521294243874
Energy: 0.5583035642616572
Energy: 0.568455518453731
Energy: 0.5577757912937845
Energy: 0.5361265230620375
Energy: 0.5202196523290739
Energy: 0.5577757912904534
Energy: 0.5361265230637029
Energy: 0.5202232186267884
Energy: 0.5577757912937845
Energy: 0.5361265230603718
Energy: 0.5202196523290739
Energy: 0.5577757912904534
Energy: 0.5109169607954367
Energy: 0.5264522538843451
Energy: 0.5361979965018451
Energy: 0.5109169607971022
Energy: 0.5264522538876762
Energy: 0.5361979964985141
Energy: 0.5109169607937712
Energy: 0.526452253890977
Energy: 0.5361979965051763
Energy: 0.5109169607937712
Energy: 0.517859606804722
Energy: 0.554757892144137
Energy: 0.5833424147533793
Energy: 0.5178596068063875
Energy: 0.5547578921474682
Energy: 0.5833424147517137
Energy: 0.517859606804722
Energy: 0.5547578921507993
Energy: 0.5833424147500481
Energy: 0.5178596067980596

minimum gb energy = 0.5030813605909537 eV
minimum distance =  2.57363091032206 Angstroms
sigma value = 437


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

Energy: 0.5146777187545895
Energy: 0.5402662496539813
Energy: 0.5400773208539621
Energy: 0.5146777187545895
Energy: 0.5402662496515541
Energy: 0.5400773208563894
Energy: 0.5146777187545895
Energy: 0.5402662496533746
Energy: 0.540077320854569
Energy: 0.5146777187545895
Energy: 0.5940708929239166
Energy: 0.5069429234375503
Energy: 0.5594284404402339
Energy: 0.5940708929233098
Energy: 0.506942923438764
Energy: 0.5594284404378067
Energy: 0.5940708929239166
Energy: 0.5069429234369437
Energy: 0.5594284404402339
Energy: 0.5940708929233098
Energy: 0.5708126487546119
Energy: 0.49769309858037
Energy: 0.6139924849650797
Energy: 0.5749856596459744
Energy: 0.49769309857854965
Energy: 0.6139924849650797
Energy: 0.5708126487552186
Energy: 0.49769309858097677
Energy: 0.6139924849650797
Energy: 0.5708126487533983
Energy: 0.5472288446360841
Energy: 0.5769438319149959
Energy: 0.549814032748693
Energy: 0.5472288446348706
Energy: 0.5769438319138098
Energy: 0.5498140327505133
Energy: 0.5472288446360841
Energy: 0.5769438319162095
Energy: 0.5498140327480862
Energy: 0.5472288446348706
Energy: 0.5627949696965144
Energy: 0.5146986358761665
Energy: 0.618800746124246
Energy: 0.5627949696953009
Energy: 0.5146986358755599
Energy: 0.6188007461224256
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Energy: 0.5146986358755599
Energy: 0.6188007461248527
Energy: 0.5627949696965144
Energy: 0.5549809821661782
Energy: 0.5530737841011307
Energy: 0.5057141223617325
Energy: 0.5549809821625373
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Energy: 0.5549809821673918
Energy: 0.5530737841011307
Energy: 0.5057141223617325
Energy: 0.5549809821637509
Energy: 0.5682474160281308
Energy: 0.5210859442198357
Energy: 0.4978772671894347
Energy: 0.5682474160263102
Energy: 0.5210859442192288
Energy: 0.4978772671912551
Energy: 0.5682474160281308
Energy: 0.5210859442198357
Energy: 0.4978772671894347
Energy: 0.5682474160263102
Energy: 0.538455942826159
Energy: 0.550395019882846
Energy: 0.5434707905244716
Energy: 0.5384559428273726
Energy: 0.5503950198858801
Energy: 0.5434707905208307
Energy: 0.538455942826159
Energy: 0.550395019882846
Energy: 0.5434707905238647
Energy: 0.5384559428273726
Energy: 0.6700102454702914
Energy: 0.5606755744774704
Energy: 0.515072786322356
Energy: 0.6700102454769662
Energy: 0.5606755744738297
Energy: 0.5150727863217492
Energy: 0.6700102454702914
Energy: 0.5606755744774704
Energy: 0.515072786322356
Energy: 0.6700102454721119
Energy: 0.5450159055808192
Energy: 0.5617656717373757
Energy: 0.5637185289292903
Energy: 0.545015905581426
Energy: 0.5617656717355552
Energy: 0.5637185289311107
Energy: 0.5450159055808192
Energy: 0.5617656717373757
Energy: 0.5637185289298972
Energy: 0.545015905581426
Energy: 0.5425949096717884
Energy: 0.504247888513191
Energy: 0.5444065787655061
Energy: 0.5425949096705748
Energy: 0.5042478885137978
Energy: 0.5444065787673265
Energy: 0.5425949096717884
Energy: 0.5042478885137978
Energy: 0.5444065787655061
Energy: 0.5425949096705748
Energy: 0.5870379595139159
Energy: 0.5073884159810501
Energy: 0.5490075342330202
Energy: 0.5870379595145226
Energy: 0.5073884159786505
Energy: 0.5490075342348405
Energy: 0.5870379595145226
Energy: 0.5073884159810501
Energy: 0.5490075342305929
Energy: 0.5870379595145226
Energy: 0.5150169220083668
Energy: 0.5869971282168447
Energy: 0.5177892316682084
Energy: 0.5150169220059396
Energy: 0.5869971282186651
Energy: 0.5177892316700288
Energy: 0.5150169220083668
Energy: 0.5869971282993415
Energy: 0.5177892316682084
Energy: 0.5150169220053329
Energy: 0.6220400454426938
Energy: 0.521892482650824
Energy: 0.5438951585580521
Energy: 0.622040045442087
Energy: 0.5218924826502171
Energy: 0.5438951585568387
Energy: 0.6220400454426938
Energy: 0.521892482650824
Energy: 0.5438951585495571
Energy: 0.622040045442087

minimum gb energy = 0.49769309857854965 eV
minimum distance =  2.57895577832437 Angstroms
sigma value = 33