Model name: model_name=EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.05000014603138
cohesive_energy=3.3602642414071076
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.01035187874199962
Energy: 0.011050978133017858
Energy: 0.3387604475122588
Energy: 0.011050978133017858
Energy: 0.011050978133017858
Energy: 0.4096750601473101
Energy: 0.011050978133017858
Energy: 0.40967506014780974
Energy: 0.3387604475117868
Energy: 0.011050978133017858
Energy: 0.01035187874199962
Energy: 0.011050978133489814
Energy: 0.011050978133017858
Energy: 0.40967506014780974
Energy: 0.011050978133017858
Energy: 0.40967506014780974

minimum gb energy = 0.01035187874199962 eV
minimum distance =  2.8120893921268 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.5366510448712293
Energy: 0.5324105181160352
Energy: 0.5783257888736686
Energy: 0.5324105181154292
Energy: 0.5103469348267144
Energy: 0.5287168701253756
Energy: 0.5117227755132764
Energy: 0.5287168701253756
Energy: 0.4951417783031822
Energy: 0.5239173142075894
Energy: 0.5124030458813196
Energy: 0.5239173142075894
Energy: 0.502230731767527
Energy: 0.52956543982584
Energy: 0.4946753323001368
Energy: 0.5295654398264461
Energy: 0.5021571965290462
Energy: 0.5364525112996437
Energy: 0.5171645372903718
Energy: 0.5364525112996437
Energy: 0.4929841520393207
Energy: 0.6033516623603373
Energy: 0.4835053009723195
Energy: 0.6033516623609434
Energy: 0.5255126366186009
Energy: 0.5235940639318122
Energy: 0.49325287826899283
Energy: 0.5235940639324183
Energy: 0.48129942528133896
Energy: 0.5366071010846223
Energy: 0.4807514957144383
Energy: 0.5366071010846223
Energy: 0.4946393348343989
Energy: 0.6106848191408957
Energy: 0.5023773115703966
Energy: 0.6106848191415016
Energy: 0.47683145435045843
Energy: 0.5233297274837048
Energy: 0.4753374408298891
Energy: 0.523329727484311
Energy: 0.5055834889004432
Energy: 0.5266962201902676
Energy: 0.4948176442442494
Energy: 0.5266962201914798
Energy: 0.5266831733512893
Energy: 0.5365994316765895
Energy: 0.4918540997626066
Energy: 0.5365994316759835
Energy: 0.5161176456755422
Energy: 0.5220294012092666
Energy: 0.525396982387391
Energy: 0.5220294012092666
Energy: 0.510777473112649
Energy: 0.5312577053647001
Energy: 0.48628776388126393
Energy: 0.5312577053659122
Energy: 0.5014453638817941
Energy: 0.5328756676704459
Energy: 0.4957502851214535
Energy: 0.5328756676698397
Energy: 0.5053703465811833
Energy: 0.532846897639057
Energy: 0.49938796739654434
Energy: 0.5328468976378449
Energy: 0.5115619355603954
Energy: 0.5239045962261161
Energy: 0.4852388831198494
Energy: 0.52390459622551
Energy: 0.5116155720565602
Energy: 0.5202943006328915
Energy: 0.5110193545096164
Energy: 0.5202943006334976
Energy: 0.5021030367572622
Energy: 0.5348162386717616
Energy: 0.488078437002933
Energy: 0.5348162386723677
Energy: 0.5267926308778856
Energy: 0.49758823471536184
Energy: 0.49602289570908487
Energy: 0.49758823471536184
Energy: 0.482329042244606
Energy: 0.523972884784355
Energy: 0.47420697284323854
Energy: 0.5239728847831429
Energy: 0.4946759132656826
Energy: 0.5010913984057079
Energy: 0.5668863682396503
Energy: 0.5010913984069201
Energy: 0.5662456796921287
Energy: 0.5364549225163965
Energy: 0.485788184992415
Energy: 0.5364549225163965
Energy: 0.5401722193934184
Energy: 0.5241570587755939
Energy: 0.4930130120568251
Energy: 0.5241570587768061
Energy: 0.49308210560025617
Energy: 0.5274414527147869
Energy: 0.5731025438795648
Energy: 0.5274414527147869
Energy: 0.5029209544817241
Energy: 0.5367209037963155
Energy: 0.49894069275995984
Energy: 0.5367209037957095
Energy: 0.5058511537226984
Energy: 0.5197986932040702
Energy: 0.49460905088013585
Energy: 0.5197986932058883
Energy: 0.49654873545019435
Energy: 0.522083616848176
Energy: 0.5207686609110525
Energy: 0.522083616848782
Energy: 0.5099014351749439
Energy: 0.5155053742052764
Energy: 0.5007548893087249
Energy: 0.5155053742052764
Energy: 0.5267531714915665
Energy: 0.5330749094550723
Energy: 0.5234868587036988
Energy: 0.5330749094544662
Energy: 0.5026155359055973
Energy: 0.5280864171531372
Energy: 0.5114093951788743
Energy: 0.5280864171531372
Energy: 0.4979602623822138
Energy: 0.5257301034149402
Energy: 0.5108637066611212
Energy: 0.5257301034155463
Energy: 0.5022576639003401
Energy: 0.5445139750322997
Energy: 0.4959697630142714
Energy: 0.5445139750335118

minimum gb energy = 0.47420697284323854 eV
minimum distance =  2.57406988092227 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.5583074150599263
Energy: 0.5691340060809494
Energy: 0.6087053417267775
Energy: 0.5691340060788765
Energy: 0.5210943144607771
Energy: 0.5470428301122326
Energy: 0.5217830596955915
Energy: 0.5470428301094685
Energy: 0.5105089450528888
Energy: 0.5698222034911259
Energy: 0.5107274441246382
Energy: 0.5698222034904349
Energy: 0.5036564711444513
Energy: 0.506516126441402
Energy: 0.5082119262809607
Energy: 0.5065161264420929
Energy: 0.5059321297972698
Energy: 0.553722015105042
Energy: 0.5187039826140354
Energy: 0.553722015104351
Energy: 0.5550010296119665
Energy: 0.5537243838244255
Energy: 0.5383165020690014
Energy: 0.5537243838244255
Energy: 0.521786419805261
Energy: 0.5098819450701417
Energy: 0.5015221634386091
Energy: 0.5098819450701417
Energy: 0.48655098762677024
Energy: 0.5701601039170465
Energy: 0.49405239860325256
Energy: 0.5701601039184284
Energy: 0.5056248558006691
Energy: 0.5176117005984071
Energy: 0.5391608527262336
Energy: 0.5176117005956431
Energy: 0.4962442608606216
Energy: 0.5702747888079005
Energy: 0.5409636468770288
Energy: 0.5702747888106645
Energy: 0.5219274445363221
Energy: 0.5363292671690855
Energy: 0.530951352392158
Energy: 0.5363292671677033
Energy: 0.49637546513137404
Energy: 0.5607139201344687
Energy: 0.510585218631579
Energy: 0.5607139201365418
Energy: 0.5176936990756069
Energy: 0.551495404475587
Energy: 0.5203193985548488
Energy: 0.5514954044811151
Energy: 0.5174093453055068
Energy: 0.5515387846312886
Energy: 0.5169089005825731
Energy: 0.5515387846354032
Energy: 0.49643966422637653
Energy: 0.5606544016092676
Energy: 0.5288005660655898
Energy: 0.5606544016147642
Energy: 0.5218611023042958
Energy: 0.5362432378055804
Energy: 0.5217825082496338
Energy: 0.5362432378076535
Energy: 0.49628364974759287
Energy: 0.5702271706845382
Energy: 0.48970155362035955
Energy: 0.5702271706900662
Energy: 0.505590547864088
Energy: 0.5176151719914436
Energy: 0.5393001609907715
Energy: 0.5176151719907527
Energy: 0.4866525913273162
Energy: 0.5700615822337464
Energy: 0.49378661935047946
Energy: 0.5700615822365105
Energy: 0.5218089509046056
Energy: 0.5096351739211492
Energy: 0.5106995159542086
Energy: 0.5096351739163122
Energy: 0.5549585485793612
Energy: 0.5536986462542903
Energy: 0.49274523223079025
Energy: 0.5536986462508352
Energy: 0.5035481941407208
Energy: 0.5537457664584423
Energy: 0.5203403402584464
Energy: 0.5537457664605152
Energy: 0.5036468238659306
Energy: 0.5066037626975385
Energy: 0.5013473275207827
Energy: 0.5066037626940835
Energy: 0.5107850460967819
Energy: 0.5697867379540806
Energy: 0.5290111226403464
Energy: 0.5697867379547719
Energy: 0.5210752702654144
Energy: 0.5470692838204041
Energy: 0.5217147806556789
Energy: 0.5470692838169492
Energy: 0.5583074150613084
Energy: 0.5691340060809494
Energy: 0.5670964687042782
Energy: 0.5691340060788765
Energy: 0.5210943144600862
Energy: 0.5470428301122326
Energy: 0.5217830596962825
Energy: 0.5470428301094685
Energy: 0.5105089450508158
Energy: 0.5698222034911259
Energy: 0.5107274441246382
Energy: 0.5698222034911259
Energy: 0.5036564711458333
Energy: 0.506516126441402
Energy: 0.5091455265869308
Energy: 0.5065161264420929

minimum gb energy = 0.48655098762677024 eV
minimum distance =  2.52834872935871 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.5466740802617379
Energy: 0.5845484327447236
Energy: 0.6436908770678664
Energy: 0.5845484327447236
Energy: 0.5449292152116212
Energy: 0.5523594450479725
Energy: 0.5248626106013708
Energy: 0.5523594450479725
Energy: 0.5276145012078507
Energy: 0.61274098938186
Energy: 0.525832672962574
Energy: 0.61274098938186
Energy: 0.5182506783035364
Energy: 0.5327248780060231
Energy: 0.5200315546450202
Energy: 0.5327248780060231
Energy: 0.5216523163219018
Energy: 0.5875354610324585
Energy: 0.5336393401529967
Energy: 0.5875354610332617
Energy: 0.5802519645215751
Energy: 0.6135438818932325
Energy: 0.5998858279896054
Energy: 0.6135438818932325
Energy: 0.5475963856830532
Energy: 0.5275335776360508
Energy: 0.5395863679469395
Energy: 0.5275335776352477
Energy: 0.6262999686123036
Energy: 0.5864338133691319
Energy: 0.5143844733076602
Energy: 0.5864338133691319
Energy: 0.5397679092831099
Energy: 0.5584004697241557
Energy: 0.5473313488825122
Energy: 0.5584004697233524
Energy: 0.5216967486454647
Energy: 0.6132654703629252
Energy: 0.5117798353657171
Energy: 0.6132654703629252
Energy: 0.5427078029440884
Energy: 0.5845276781358203
Energy: 0.5252966211095708
Energy: 0.5845276781358203
Energy: 0.5407371145332462
Energy: 0.5845989050604908
Energy: 0.5258381190366391
Energy: 0.5845989050596875
Energy: 0.5240721608200017
Energy: 0.5711802033327187
Energy: 0.5111738458687884
Energy: 0.5711802033327187
Energy: 0.5400330270392858
Energy: 0.5597822233907782
Energy: 0.547270278516471
Energy: 0.5597822233907782
Energy: 0.506122894649086
Energy: 0.5871382936539675
Energy: 0.5135568013493446
Energy: 0.5871382936547709
Energy: 0.5462839988988463
Energy: 0.5276604451502873
Energy: 0.5221230572424104
Energy: 0.5276604451510905
Energy: 0.5036444708610665
Energy: 0.6127916388892327
Energy: 0.49755791693045587
Energy: 0.612791638890036
Energy: 0.5199609201924147
Energy: 0.5648296426578459
Energy: 0.5353332364041359
Energy: 0.5648296426578459
Energy: 0.5138152874870795
Energy: 0.576186931232708
Energy: 0.522234720456426
Energy: 0.576186931232708
Energy: 0.5467864191483098
Energy: 0.6132969293362847
Energy: 0.5260882107232157
Energy: 0.6132969293362847
Energy: 0.5318888099581273
Energy: 0.554881599880715
Energy: 0.5261265174283623
Energy: 0.554881599880715
Energy: 0.5468494185638819
Energy: 0.5858232620652947
Energy: 0.5725391273023136
Energy: 0.5858232620660979
Energy: 0.5442292833482797
Energy: 0.5682834312767868
Energy: 0.5248065139520176
Energy: 0.5682834312767868
Energy: 0.5272023112620676
Energy: 0.6120006181138244
Energy: 0.5215414467257818
Energy: 0.6120006181138244
Energy: 0.5249353892520493
Energy: 0.5322773920534187
Energy: 0.5198675015218597
Energy: 0.5322773920534187

minimum gb energy = 0.49755791693045587 eV
minimum distance =  2.52727923704376 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.5569606326795837
Energy: 0.5574005212501912
Energy: 0.6339213994205397
Energy: 0.557400521249233
Energy: 0.5545889058659844
Energy: 0.5818385887877799
Energy: 0.5460843652995849
Energy: 0.5818385887868217
Energy: 0.5433156972053245
Energy: 0.5612109223030761
Energy: 0.5401490823473447
Energy: 0.5612109223030761
Energy: 0.6519141420462878
Energy: 0.5632317060318205
Energy: 0.5310099947211108
Energy: 0.5632317060308623
Energy: 0.6124988766703633
Energy: 0.5816135996477999
Energy: 0.572156230487345
Energy: 0.5816135996506747
Energy: 0.5019316544420958
Energy: 0.5612097967843287
Energy: 0.5664959834619003
Energy: 0.561209796785287
Energy: 0.5731066889736065
Energy: 0.5317576725320241
Energy: 0.5318820109157677
Energy: 0.5317576725301074
Energy: 0.5785006576019361
Energy: 0.5610496169067832
Energy: 0.530158084127786
Energy: 0.5610496169067832
Energy: 0.556977281948682
Energy: 0.5817813843259434
Energy: 0.5576027497009252
Energy: 0.581781384324985
Energy: 0.5566692844099818
Energy: 0.5571975343943484
Energy: 0.5668041401588969
Energy: 0.5571975343943484
Energy: 0.525548821797484
Energy: 0.5810824740468458
Energy: 0.5383978111872724
Energy: 0.5810824740468458
Energy: 0.5573545172382405
Energy: 0.5889472377696838
Energy: 0.5334439132364222
Energy: 0.5889472377687256
Energy: 0.501963206325825
Energy: 0.5610750655378732
Energy: 0.5451093321041571
Energy: 0.5610750655388315
Energy: 0.5691043496532786
Energy: 0.554105380040492
Energy: 0.5559428485011897
Energy: 0.554105380040492
Energy: 0.5020081900912693
Energy: 0.5609551758621724
Energy: 0.5775334838346471
Energy: 0.5609551758631305
Energy: 0.5588402048517143
Energy: 0.5889347606367329
Energy: 0.5334547258730123
Energy: 0.5889347606367329
Energy: 0.5255391082868868
Energy: 0.5811281031933545
Energy: 0.5407437688906437
Energy: 0.5811281031943127
Energy: 0.5566441345186093
Energy: 0.5573604008825368
Energy: 0.5667769416340078
Energy: 0.557360400883495
Energy: 0.5572080266712763
Energy: 0.5817836116544719
Energy: 0.5715067490793794
Energy: 0.5817836116563885
Energy: 0.578347698647387
Energy: 0.5611218315111615
Energy: 0.5301954310161453
Energy: 0.5611218315082868
Energy: 0.5729505098989933
Energy: 0.5318304885065158
Energy: 0.5318889735478454
Energy: 0.5318304885093905

minimum gb energy = 0.5019316544420958 eV
minimum distance =  2.66600522075613 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.5332267724730387
Energy: 0.6448389869633536
Energy: 0.6625143292389916
Energy: 0.6448389869645388
Energy: 0.5153392231198426
Energy: 0.5610054963499457
Energy: 0.5028223665258094
Energy: 0.5610054963499457
Energy: 0.569072200809165
Energy: 0.6462944244661813
Energy: 0.5027818565086634
Energy: 0.6462944244673664
Energy: 0.5955986395428207
Energy: 0.6316617345193386
Energy: 0.6004050489100223
Energy: 0.6316617345193386
Energy: 0.5990473030746711
Energy: 0.5154074206090213
Energy: 0.5623226992149448
Energy: 0.5154074206078362
Energy: 0.5045570975274319
Energy: 0.5863450930927393
Energy: 0.5685702402772843
Energy: 0.5863450930915542
Energy: 0.5029141966825922
Energy: 0.5930698577926187
Energy: 0.5034104351422899
Energy: 0.5930698577926187
Energy: 0.5933136144535572
Energy: 0.6456979897753442
Energy: 0.5338275310914362
Energy: 0.6456979897753442
Energy: 0.5028691371993047
Energy: 0.5608957229638819
Energy: 0.5168060101252017
Energy: 0.5608957229638819
Energy: 0.6348411111904877
Energy: 0.6174520834853144
Energy: 0.5683009583036276
Energy: 0.6174520834853144
Energy: 0.5427927660677893
Energy: 0.6325246997339523
Energy: 0.6872089246425078
Energy: 0.6325246997339523
Energy: 0.5023491132046027
Energy: 0.546463771549132
Energy: 0.6271305464601125
Energy: 0.546463771547947
Energy: 0.5930102336333289
Energy: 0.6523165867999436
Energy: 0.5020359125952482
Energy: 0.6523165867999436
Energy: 0.5029303565196863
Energy: 0.5036852496594768
Energy: 0.5957858441299088
Energy: 0.503685249663032
Energy: 0.5609233071345645
Energy: 0.6447006329350189
Energy: 0.659589615652538
Energy: 0.6447006329338338
Energy: 0.5165453626702913
Energy: 0.5776054830967976
Energy: 0.504357237954388
Energy: 0.5776054830979828
Energy: 0.503525372120969
Energy: 0.5530757568852456
Energy: 0.6328067638070677
Energy: 0.5530757568852456

minimum gb energy = 0.5020359125952482 eV
minimum distance =  2.62270977568261 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.5790199357040748
Energy: 0.5793249285561769
Energy: 0.7247548860861404
Energy: 0.5793249285561769
Energy: 0.5951467233062584
Energy: 0.5525443965903956
Energy: 0.517552665750799
Energy: 0.5525443965890533
Energy: 0.6397156455804707
Energy: 0.5709431841236816
Energy: 0.5165628496321357
Energy: 0.5709431841243529
Energy: 0.5658531031452856
Energy: 0.5838651996168901
Energy: 0.5685358383932503
Energy: 0.583865199616219
Energy: 0.6306486257738491
Energy: 0.557735294206326
Energy: 0.5449333065269893
Energy: 0.5577352942049837
Energy: 0.5293163223653292
Energy: 0.5860178757692716
Energy: 0.6042258011692287
Energy: 0.5860178757699427
Energy: 0.5180744551157723
Energy: 0.5782820259174154
Energy: 0.5538491515538824
Energy: 0.578282025916073
Energy: 0.6011122106934329
Energy: 0.5856158824934808
Energy: 0.5306897893323083
Energy: 0.5856158824928097
Energy: 0.5352939107807954
Energy: 0.6052297711805277
Energy: 0.6259104214991392
Energy: 0.6052297711805277
Energy: 0.680542403633592
Energy: 0.5748784054459921
Energy: 0.5172999684457695
Energy: 0.574878405445321
Energy: 0.5186947433199991
Energy: 0.5844511534236799
Energy: 0.6362477501804213
Energy: 0.5844511534236799
Energy: 0.5676407631225574
Energy: 0.5774351586137965
Energy: 0.5652108585309051
Energy: 0.5774351586131252
Energy: 0.6403829982927922
Energy: 0.5794045321762104
Energy: 0.5811964527781811
Energy: 0.5794045321762104
Energy: 0.5163334000712141
Energy: 0.6544096276431303
Energy: 0.5941836791752678
Energy: 0.654409627641788
Energy: 0.5798931587622564
Energy: 0.5789775414287063
Energy: 0.5692941874572147
Energy: 0.5789775414287063
Energy: 0.590756247780812
Energy: 0.5856065256353994
Energy: 0.6007579116305124
Energy: 0.5856065256360705
Energy: 0.5536162664675839
Energy: 0.5988401284771514
Energy: 0.6689953292143311
Energy: 0.5988401284778228
Energy: 0.5764812983119896
Energy: 0.5713293122962271
Energy: 0.5292449168070464
Energy: 0.571329312295556
Energy: 0.5544234455891167
Energy: 0.601226120720993
Energy: 0.5490605178275555
Energy: 0.6012261207223353
Energy: 0.5541773688644658
Energy: 0.584135198907914
Energy: 0.5173890728902057
Energy: 0.5841351988562345
Energy: 0.5577533193222214
Energy: 0.5759295649818971
Energy: 0.6023659100131961
Energy: 0.5759295649812259
Energy: 0.5181944769574476
Energy: 0.6236545886414526
Energy: 0.675093857327628
Energy: 0.6236545886414526
Energy: 0.6156741583205343
Energy: 0.5851580021194226
Energy: 0.5158427226494973
Energy: 0.5851580021200936
Energy: 0.5647757217460188
Energy: 0.5803412365141076
Energy: 0.5888686031113447
Energy: 0.5803412365127653
Energy: 0.5687339517598995
Energy: 0.5761793036680551
Energy: 0.6396480196039304
Energy: 0.5761793036680551
Energy: 0.6193972383547661
Energy: 0.5822209863720192
Energy: 0.5167680191048024
Energy: 0.5822209863726904
Energy: 0.5332472861522908
Energy: 0.6610436774937095
Energy: 0.6998518093484075
Energy: 0.6610436774937095
Energy: 0.6034920392270742
Energy: 0.5862643780432537
Energy: 0.6032573185499758
Energy: 0.5862643780425826
Energy: 0.6702077459969993
Energy: 0.6134063522347648
Energy: 0.5585559973910662
Energy: 0.6134063522347648
Energy: 0.5308320551586855
Energy: 0.6004411817193169
Energy: 0.644920576584186
Energy: 0.6004411817199883

minimum gb energy = 0.5158427226494973 eV
minimum distance =  2.5112337780836 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.4815236793063703
Energy: 0.4817208381434296
Energy: 0.7752769516125853
Energy: 0.4817208381434296
Energy: 0.5926742551584532
Energy: 0.5471773247576569
Energy: 0.545798187248243
Energy: 0.5471773247561118
Energy: 0.4928112629281392
Energy: 0.4816390096883742
Energy: 0.5458528311950899
Energy: 0.48163900968991935
Energy: 0.4928353311781918
Energy: 0.4817209871417862
Energy: 0.5873007092527224
Energy: 0.48172098713873107
Energy: 0.61035609829808
Energy: 0.5470501939576738
Energy: 0.6098223406721274
Energy: 0.5470501939576738
Energy: 0.48152367930791545
Energy: 0.4817208381418845
Energy: 0.6867308105404017
Energy: 0.4817208381434296
Energy: 0.5926742551584532
Energy: 0.5471773247561118
Energy: 0.5857716399736921
Energy: 0.5471773247561118
Energy: 0.4928112629296843
Energy: 0.4816390096883742
Energy: 0.5967712294882034
Energy: 0.4816390096883742
Energy: 0.49283533117973694
Energy: 0.4817209871417862
Energy: 0.5873007092542675
Energy: 0.48172098714027617
Energy: 0.61035609829808
Energy: 0.5470501939576738
Energy: 0.6249561711609253
Energy: 0.5470501939576738
Energy: 0.4815236793063703
Energy: 0.4817208381434296
Energy: 0.7081807627146203
Energy: 0.4817208381434296
Energy: 0.5926742551584532
Energy: 0.5471773247576569
Energy: 0.5857716399736921
Energy: 0.5471773247561118
Energy: 0.4928112629281392
Energy: 0.4816390096883742
Energy: 0.5967712294882034
Energy: 0.48163900968991935

minimum gb energy = 0.4815236793063703 eV
minimum distance =  2.59760791105054 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.5379877308337654
Energy: 0.6911786987970473
Energy: 0.7501198738453002
Energy: 0.6911786987964754
Energy: 0.6693803800880632
Energy: 0.5663016168375585
Energy: 0.5467182804240623
Energy: 0.5663016168381304
Energy: 0.543897607926445
Energy: 0.5296735219468949
Energy: 0.537555838535646
Energy: 0.5296735219463229
Energy: 0.6190076904716674
Energy: 0.647211198324901
Energy: 0.5467721432414255
Energy: 0.6472111983254728
Energy: 0.6164186106828593
Energy: 0.5577858205983375
Energy: 0.5484961283773939
Energy: 0.5577858205989092
Energy: 0.5291870559292694
Energy: 0.5292106704541034
Energy: 0.6190213699335472
Energy: 0.5292106704546753
Energy: 0.7257208724949487
Energy: 0.554624416554631
Energy: 0.5467378073157916
Energy: 0.554624416554631
Energy: 0.5514914021654571
Energy: 0.6636863111167075
Energy: 0.6208734990495218
Energy: 0.6636863111178513
Energy: 0.545314378248399
Energy: 0.6075991171642515
Energy: 0.5343463398060319
Energy: 0.6075991171653952
Energy: 0.5453177238580462
Energy: 0.5647006735206588
Energy: 0.5476782254461444
Energy: 0.5647006735206588
Energy: 0.5522647653915191
Energy: 0.6013757591495857
Energy: 0.7282737731259737
Energy: 0.6013757591495857
Energy: 0.6420950150465878
Energy: 0.6289631835359959
Energy: 0.5430885449425223
Energy: 0.6289631835365678
Energy: 0.5454728632035907
Energy: 0.6205852939233824
Energy: 0.6869196671062888
Energy: 0.6205852939228105
Energy: 0.6215243383354181
Energy: 0.6624898274450239
Energy: 0.5425460020375322
Energy: 0.6624898274444521
Energy: 0.5484115087577123
Energy: 0.6260790556013345
Energy: 0.6290369727735957
Energy: 0.6260790556007626
Energy: 0.54710917023368
Energy: 0.6501124957400759
Energy: 0.6228914785383294
Energy: 0.6501124957377885
Energy: 0.594964113975128
Energy: 0.6249398175179073
Energy: 0.5486902027373873
Energy: 0.6249398175173354
Energy: 0.5535022494675765
Energy: 0.5544639500506658
Energy: 0.6285450362307305
Energy: 0.5544639500506658
Energy: 0.6380443348462419
Energy: 0.6204101389797195
Energy: 0.530893411718146
Energy: 0.6204101389797195
Energy: 0.5425416908195844
Energy: 0.5747005188130502
Energy: 0.6092051524514996
Energy: 0.5747005188130502
Energy: 0.6356764334363538
Energy: 0.6434977781581072
Energy: 0.6206584965661139
Energy: 0.6434977781563915
Energy: 0.5949958034880527
Energy: 0.6216789878163663
Energy: 0.5451676541306723
Energy: 0.6216789878163663
Energy: 0.5340426797580758
Energy: 0.6209317008810467
Energy: 0.5451391724891459
Energy: 0.6209317008810467
Energy: 0.7305206707889575
Energy: 0.6269928557984974
Energy: 0.5505631156559371
Energy: 0.6269928557979255
Energy: 0.546651692684466
Energy: 0.6386034097556251
Energy: 0.715838273448703
Energy: 0.6386034097550533
Energy: 0.5823059309848109
Energy: 0.5700558461299189
Energy: 0.5441684276698759
Energy: 0.5700558461299189
Energy: 0.6321307330687979
Energy: 0.6352122281037431
Energy: 0.6180636786198238
Energy: 0.6352122281031714
Energy: 0.5451909878669465
Energy: 0.6625288242022815
Energy: 0.6185117304356067
Energy: 0.6625288242028534
Energy: 0.5730540398221259
Energy: 0.5293229637304641
Energy: 0.5437962469363918
Energy: 0.5293229637316078
Energy: 0.5463892188281377
Energy: 0.6385827751388217
Energy: 0.6877716724179729
Energy: 0.6385827751393935
Energy: 0.6901825070336115
Energy: 0.6401548088702611
Energy: 0.5500330139363605
Energy: 0.6401548088725486
Energy: 0.5298999397618068
Energy: 0.555687393468084
Energy: 0.5444473682466222
Energy: 0.5556873934686559
Energy: 0.5304538277943894
Energy: 0.6026527177635792
Energy: 0.5475984870102124
Energy: 0.6026527177635792
Energy: 0.6253642031857496
Energy: 0.6435556860803672
Energy: 0.6192801510638877
Energy: 0.6435556860797953
Energy: 0.5531442064923061
Energy: 0.640737548754795
Energy: 0.722508515567555
Energy: 0.640737548754795

minimum gb energy = 0.5291870559292694 eV
minimum distance =  2.54372258562902 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.5727736153915312
Energy: 0.5736203353915754
Energy: 0.7593773598316318
Energy: 0.573620335390668
Energy: 0.6170943618395651
Energy: 0.5779987616124633
Energy: 0.5571842172925304
Energy: 0.577998761614278
Energy: 0.5565147072786547
Energy: 0.5603579051881403
Energy: 0.5339048966482421
Energy: 0.5603579051890477
Energy: 0.5522730344064033
Energy: 0.5538787235384115
Energy: 0.5805459087894802
Energy: 0.5538787235384115
Energy: 0.5835543457293422
Energy: 0.5841716122497643
Energy: 0.5625495073700904
Energy: 0.584171612248857
Energy: 0.5666127779326187
Energy: 0.5442358578585746
Energy: 0.6693107351403755
Energy: 0.5442358578594819
Energy: 0.7215297820107941
Energy: 0.6177661388848744
Energy: 0.5569903951246379
Energy: 0.6177661388830598
Energy: 0.5473861773397537
Energy: 0.5267069272251182
Energy: 0.6870436011774407
Energy: 0.5267069272251182
Energy: 0.6957830394199237
Energy: 0.5271221475299228
Energy: 0.5266568776835736
Energy: 0.5271221475299228
Energy: 0.5559456857695376
Energy: 0.614426917941374
Energy: 0.558507757620754
Energy: 0.614426917941374
Energy: 0.546922444248194
Energy: 0.5606262093395042
Energy: 0.6655503732364572
Energy: 0.5606262093395042
Energy: 0.6239137045224403
Energy: 0.5532574444692623
Energy: 0.552162237471487
Energy: 0.5532574444665401
Energy: 0.5535661613085955
Energy: 0.5633786902034889
Energy: 0.6359473238668458
Energy: 0.5633786902016947
Energy: 0.6904779797921038
Energy: 0.6084813830990494
Energy: 0.5660187098189142
Energy: 0.6084813830990494
Energy: 0.5470394760769365
Energy: 0.6448202148973339
Energy: 0.6689566842138271
Energy: 0.6448202148982413
Energy: 0.6596830534252538
Energy: 0.5816969499512046
Energy: 0.5474280132316532
Energy: 0.5816969499493899
Energy: 0.5734996649958294
Energy: 0.5734464920192642
Energy: 0.5558575809756158
Energy: 0.5734464920210789
Energy: 0.5735258441597154
Energy: 0.5739110978836685
Energy: 0.5682127697597903
Energy: 0.5739110978836685
Energy: 0.6179219803136187
Energy: 0.527020967205975
Energy: 0.5460257487571785
Energy: 0.5270209672050676
Energy: 0.5559465033531709
Energy: 0.6047533806561181
Energy: 0.7310350919141274
Energy: 0.6047533806543034
Energy: 0.6802213427133542
Energy: 0.5643205994593764
Energy: 0.5653857173358251
Energy: 0.5643205994602838
Energy: 0.5806085742069541
Energy: 0.5838554467036701
Energy: 0.6165570642677601
Energy: 0.5838554467036701

minimum gb energy = 0.5266568776835736 eV
minimum distance =  2.56437920557273 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.5453380973957201
Energy: 0.5461288991994653
Energy: 0.7313372055398534
Energy: 0.5461288991975405
Energy: 0.7092233583383
Energy: 0.5718725203326483
Energy: 0.5608976552733402
Energy: 0.5718725203345731
Energy: 0.5471251981180649
Energy: 0.5464142938205271
Energy: 0.5661610879081698
Energy: 0.5464142938153944
Energy: 0.5881455428252396
Energy: 0.5796338905729292
Energy: 0.5723018547118229
Energy: 0.5796338905780619
Energy: 0.5549741737762328
Energy: 0.5778771038594642
Energy: 0.5488015901980907
Energy: 0.5778771038568981
Energy: 0.5489236271440934
Energy: 0.5854967798549476
Energy: 0.692473066459701
Energy: 0.5854967798594387
Energy: 0.6553534655370008
Energy: 0.6490822619833544
Energy: 0.5797430960331669
Energy: 0.649082261979505
Energy: 0.5490519881505476
Energy: 0.5464963915296749
Energy: 0.7357090973379091
Energy: 0.5464963915322412
Energy: 0.6246844785842561
Energy: 0.5727146350306722
Energy: 0.5571080118518387
Energy: 0.5727146350345216
Energy: 0.5540725613357412
Energy: 0.5816176862263791
Energy: 0.6343689675860855
Energy: 0.5816176862238127
Energy: 0.572315508736833
Energy: 0.5849608867543801
Energy: 0.5977245584350099
Energy: 0.5849608867537385
Energy: 0.5473149880228102
Energy: 0.5779656058231636
Energy: 0.5747925723492651
Energy: 0.5779656058315042
Energy: 0.5464009769486289
Energy: 0.546473577598958
Energy: 0.5920604378895424
Energy: 0.5464735775957501
Energy: 0.5661916556615757
Energy: 0.542951394136445
Energy: 0.5902923951242718
Energy: 0.5429513941345201
Energy: 0.5526241642149149
Energy: 0.6437664397556362
Energy: 0.6716353465608274
Energy: 0.6437664397492203
Energy: 0.7493009058071679
Energy: 0.5429398759251637
Energy: 0.5549184368685056
Energy: 0.542939875924522
Energy: 0.5671700001670946
Energy: 0.5907600802960835
Energy: 0.640729184677708
Energy: 0.590760080292234
Energy: 0.5470121357429378
Energy: 0.6345046019149815
Energy: 0.5736067369897264
Energy: 0.6345046019149815
Energy: 0.5671068603116762
Energy: 0.5856975176487726
Energy: 0.5971548607876761
Energy: 0.5856975176487726
Energy: 0.5539429202626663
Energy: 0.5763723781075025
Energy: 0.5756725789994132
Energy: 0.5763723781107103
Energy: 0.5879919168184918
Energy: 0.5601182818900675
Energy: 0.5571895910824163
Energy: 0.5601182818862182
Energy: 0.5546151367514613
Energy: 0.6347436074011659
Energy: 0.6285652830756103
Energy: 0.6347436074005243
Energy: 0.6909844432831079
Energy: 0.5742614025121453
Energy: 0.5653932983131859
Energy: 0.5742614025102205
Energy: 0.5479908457069521
Energy: 0.5462810120811746
Energy: 0.6957080721757859
Energy: 0.5462810120811746
Energy: 0.5968871141712497
Energy: 0.576624922577441
Energy: 0.5727833560566382
Energy: 0.5766249225806198
Energy: 0.5881461482928142
Energy: 0.58489436304979
Energy: 0.5714934599108452
Energy: 0.5848943630542811
Energy: 0.5556624549672924
Energy: 0.5829905589851404
Energy: 0.6035174394417027
Energy: 0.5829905589838573
Energy: 0.5877498767014604
Energy: 0.5905322548350972
Energy: 0.5731823899005279
Energy: 0.5905322548402299
Energy: 0.5465381154439631
Energy: 0.5464581661329692
Energy: 0.6576360141559479
Energy: 0.5464581661304029
Energy: 0.6409106333372386
Energy: 0.5737562696857903
Energy: 0.560859725767793
Energy: 0.5737562696870735
Energy: 0.5464078551379752
Energy: 0.5466748807358656
Energy: 0.6721566071381669
Energy: 0.5466748807416396

minimum gb energy = 0.542939875924522 eV
minimum distance =  2.56008977426019 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.523469237086802
Energy: 0.5376879890637468
Energy: 0.5684580635106843
Energy: 0.5376879890648394
Energy: 0.5984044404105305
Energy: 0.5243582856595738
Energy: 0.5685833204265236
Energy: 0.5243582983006778
Energy: 0.567253241823669
Energy: 0.5429430286108206
Energy: 0.5441542209200472
Energy: 0.5429430286127822
Energy: 0.5234093249922137
Energy: 0.5101953831237349
Energy: 0.5685579203000165
Energy: 0.510195383124157
Energy: 0.5236682140397535
Energy: 0.5385842436582675
Energy: 0.6303621693626834
Energy: 0.5385842436593601
Energy: 0.5628515676828545
Energy: 0.5421571323157706
Energy: 0.5628601321196942
Energy: 0.5421571323170616
Energy: 0.567324592098553
Energy: 0.538194190687632
Energy: 0.523627143285295
Energy: 0.5381941906882777
Energy: 0.568571565492163
Energy: 0.5102769114732821
Energy: 0.5255248247200738
Energy: 0.5102769114737044
Energy: 0.5440873363421898
Energy: 0.542953537381332
Energy: 0.5692644461988369
Energy: 0.5429535373793704

minimum gb energy = 0.5101953831237349 eV
minimum distance =  2.61580648056262 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.5144821054702741
Energy: 0.5282747437212402
Energy: 0.6560978179407403
Energy: 0.5282747437212402
Energy: 0.6027441862689367
Energy: 0.5466036022187454
Energy: 0.5247614725818213
Energy: 0.5466036022211695
Energy: 0.506851353972102
Energy: 0.5274951302715671
Energy: 0.6275011600509284
Energy: 0.5274951302715671
Energy: 0.5234886269703545
Energy: 0.5437395450671013
Energy: 0.5074663623834923
Energy: 0.5437395450658892
Energy: 0.5078887612928404
Energy: 0.5465852573740728
Energy: 0.5988813471801593
Energy: 0.5465852573704366
Energy: 0.5666395449602872
Energy: 0.5806111139427608
Energy: 0.5058509096836433
Energy: 0.5806111139427608
Energy: 0.5063478765189097
Energy: 0.5444872963097878
Energy: 0.5033954657927195
Energy: 0.5444872963091818
Energy: 0.5050113969752501
Energy: 0.5803854742052965
Energy: 0.5088532401629952
Energy: 0.5803854742065087
Energy: 0.5086662107788016
Energy: 0.5462182420046616
Energy: 0.5189927753426454
Energy: 0.5462182420046616
Energy: 0.5060759039437879
Energy: 0.5445874074942583
Energy: 0.5076834107017961
Energy: 0.5445874074942583
Energy: 0.509273321243677
Energy: 0.5808582049898804
Energy: 0.5074766531252258
Energy: 0.5808582049904863
Energy: 0.5202677174132999
Energy: 0.5554460676214917
Energy: 0.5288629946998666
Energy: 0.5554460676233097
Energy: 0.5673285299064724
Energy: 0.5285595629945298
Energy: 0.5285984824123111
Energy: 0.5285595629945298
Energy: 0.514929272275506
Energy: 0.5290163596126648
Energy: 0.5722781013155869
Energy: 0.5290163596108467
Energy: 0.640251890668154
Energy: 0.5452952030904191
Energy: 0.5076378305451097
Energy: 0.5452952030916313
Energy: 0.5062809829558292
Energy: 0.5271770425466316
Energy: 0.5661313088066736
Energy: 0.5271770425466316
Energy: 0.5998142775751277
Energy: 0.5173699296740282
Energy: 0.5142385377181617
Energy: 0.5173699296734221
Energy: 0.5082089234387246
Energy: 0.5283901952307819
Energy: 0.6412384334433485
Energy: 0.5283901952307819
Energy: 0.5030201172733331
Energy: 0.5456357331872703
Energy: 0.5028034751326483
Energy: 0.5456357331854521
Energy: 0.5083891263691289
Energy: 0.6143535250109846
Energy: 0.5151840900183061
Energy: 0.6143535250121968
Energy: 0.5148129896314853
Energy: 0.5431814922098454
Energy: 0.5096334057752334
Energy: 0.5431814922104515
Energy: 0.5251982782163078
Energy: 0.5446643195625893
Energy: 0.5037386788666178
Energy: 0.5446643195625893
Energy: 0.5096641047464714
Energy: 0.5290083882786848
Energy: 0.5076676905287745
Energy: 0.5290083882780787
Energy: 0.5280336251920662
Energy: 0.5268838224116011
Energy: 0.5077478561321368
Energy: 0.5268838224109951
Energy: 0.5331136885723398
Energy: 0.5202405214421836
Energy: 0.5094090821523486
Energy: 0.5202405214421836
Energy: 0.5208281977962127
Energy: 0.5288715349879785
Energy: 0.5087389547650951
Energy: 0.5288715349879785
Energy: 0.5076229435094197
Energy: 0.5415551775627158
Energy: 0.5169055043746806
Energy: 0.5415551775633219
Energy: 0.5820697549562293
Energy: 0.5475620666319817
Energy: 0.5062326268969753
Energy: 0.5475620666319817
Energy: 0.512995699708083
Energy: 0.5079873843834269
Energy: 0.7117191007253201
Energy: 0.5079873843834269
Energy: 0.626462386233197
Energy: 0.5281813650196188
Energy: 0.5081309688384411
Energy: 0.5281813650208309
Energy: 0.5054386620920813
Energy: 0.5154231710603144
Energy: 0.617695232965801
Energy: 0.5154231710597084
Energy: 0.6030702782398694
Energy: 0.558988470707521
Energy: 0.5068380568163973
Energy: 0.5589884707087331
Energy: 0.5080066867015792
Energy: 0.5503201423854821
Energy: 0.5157181267799235
Energy: 0.5503201423854821

minimum gb energy = 0.5028034751326483 eV
minimum distance =  2.55697775979209 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.5023921065934184
Energy: 0.5028881805099076
Energy: 0.5499479758949501
Energy: 0.5028881805124213
Energy: 0.5295482233868372
Energy: 0.5150016330068624
Energy: 0.4877467205160589
Energy: 0.5150016330068624
Energy: 0.47940848211108217
Energy: 0.5033276098528092
Energy: 0.5834155251246567
Energy: 0.5033276098536471
Energy: 0.5290201244020495
Energy: 0.5283827069851509
Energy: 0.479515550689348
Energy: 0.5283827069859888
Energy: 0.47938059008241973
Energy: 0.5431766720748662
Energy: 0.594156769279631
Energy: 0.5431766720731902
Energy: 0.47973900894195953
Energy: 0.5029527192723205
Energy: 0.47957533131674923
Energy: 0.5029527192698066
Energy: 0.47943755371266483
Energy: 0.5433428374036431
Energy: 0.4887677176452187
Energy: 0.5433428374002912
Energy: 0.4796174844561702
Energy: 0.5770943197982429
Energy: 0.49436273186234686
Energy: 0.577094319799081
Energy: 0.5026671083742764
Energy: 0.4964032665699315
Energy: 0.5185172689090524
Energy: 0.4964032665690936
Energy: 0.5026180605427122
Energy: 0.49626603508759043
Energy: 0.5109052892403136
Energy: 0.4962660350884285
Energy: 0.4798857994600878
Energy: 0.5769482748169587
Energy: 0.5187989015702323
Energy: 0.5769482748186345
Energy: 0.47943273723608815
Energy: 0.5434358608939079
Energy: 0.4881066968471382
Energy: 0.5434358608964218
Energy: 0.4799517460288169
Energy: 0.5030332868913846
Energy: 0.4795658046982306
Energy: 0.5030332868888706
Energy: 0.47946576682495917
Energy: 0.5429654130237604
Energy: 0.5027895246963422
Energy: 0.5429654130245984
Energy: 0.5291153928929848
Energy: 0.5283659594280743
Energy: 0.47963942332428017
Energy: 0.5283659594280743
Energy: 0.4793126733063604
Energy: 0.5030577456765526
Energy: 0.5533803767433977
Energy: 0.5030577456740387
Energy: 0.5290286597439563
Energy: 0.5151450012547497
Energy: 0.48772836036595857
Energy: 0.5151450012505598
Energy: 0.5023921065934184
Energy: 0.5028881805099076
Energy: 0.6462272173690468
Energy: 0.5028881805124213
Energy: 0.5295482233918649
Energy: 0.5150016330060244
Energy: 0.4877467205168968
Energy: 0.5150016330068624
Energy: 0.47940848211108217
Energy: 0.5033276098528092
Energy: 0.7067878788890113
Energy: 0.503327609854485
Energy: 0.5290201244020495
Energy: 0.5283827069851509
Energy: 0.479515550689348
Energy: 0.5283827069851509
Energy: 0.4793805900815818
Energy: 0.5431766720748662
Energy: 0.5941567692804689
Energy: 0.5431766720723522
Energy: 0.47973900894112154
Energy: 0.5029527192714824
Energy: 0.47957533131674923
Energy: 0.5029527192698066
Energy: 0.47943755371266483
Energy: 0.5433428374036431
Energy: 0.48876771773651856
Energy: 0.5433428374002912

minimum gb energy = 0.4793126733063604 eV
minimum distance =  2.57476752166004 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.5035787946974679
Energy: 0.5039499609288737
Energy: 0.6717131316374795
Energy: 0.5039499609288737
Energy: 0.5740218336228828
Energy: 0.49698552178499367
Energy: 0.48934191015766015
Energy: 0.4969855217813682
Energy: 0.4865275400925782
Energy: 0.49955335854562277
Energy: 0.6104950218104781
Energy: 0.4995533585461407
Energy: 0.5465394745217667
Energy: 0.5862500273952639
Energy: 0.4862675599002459
Energy: 0.5862500273937101
Energy: 0.4900945690798284
Energy: 0.5310403710262301
Energy: 0.6289114613067284
Energy: 0.531040371026748
Energy: 0.5036586846615873
Energy: 0.5936185272572113
Energy: 0.49142079301254077
Energy: 0.5936185272566934
Energy: 0.4990927320044501
Energy: 0.5237511423064806
Energy: 0.5000180451319671
Energy: 0.5237511423064806
Energy: 0.49901016870352016
Energy: 0.599445417697336
Energy: 0.48780489744124367
Energy: 0.599445417697336
Energy: 0.5065265836297382
Energy: 0.5968349046268205
Energy: 0.5298108350001546
Energy: 0.5968349046268205
Energy: 0.5082744303404216
Energy: 0.5978311030428772
Energy: 0.49342122169185165
Energy: 0.5978311030428772
Energy: 0.48954528183382934
Energy: 0.5889637375199339
Energy: 0.490935878225239
Energy: 0.5889637375188981
Energy: 0.4843627668160366
Energy: 0.517779875353827
Energy: 0.48181682203491927
Energy: 0.517779875353309
Energy: 0.501616651470058
Energy: 0.5937016924489609
Energy: 0.4902163670706145
Energy: 0.5937016924494787
Energy: 0.49478105517455495
Energy: 0.5302922291384956
Energy: 0.5042258645326401
Energy: 0.5302922291395314
Energy: 0.4908714986727222
Energy: 0.5889294681327201
Energy: 0.5090754691143912
Energy: 0.5889294681327201
Energy: 0.4910617853627617
Energy: 0.4999758733453764
Energy: 0.6224852098364548
Energy: 0.4999758733458944
Energy: 0.5143017661720028
Energy: 0.5886045657572959
Energy: 0.4901065316473611
Energy: 0.58860456575626
Energy: 0.4833760841815741
Energy: 0.5045110504316533
Energy: 0.5182725205551463
Energy: 0.5045110504311354
Energy: 0.565637870053424
Energy: 0.5199086578845599
Energy: 0.4891297604009487
Energy: 0.5199086578861137
Energy: 0.4884155142302795
Energy: 0.4999230640997489
Energy: 0.6065892429431305
Energy: 0.4999230641002668
Energy: 0.6652216193918862
Energy: 0.4932421016513901
Energy: 0.4975414027265255
Energy: 0.4932421016513901
Energy: 0.4978878855621584
Energy: 0.5044686959102096
Energy: 0.5889302982792883
Energy: 0.5044686959133171
Energy: 0.5585202169008497
Energy: 0.5907858363507185
Energy: 0.489680662262398
Energy: 0.5907858363496826
Energy: 0.48913305489237957
Energy: 0.524726391278338
Energy: 0.5726854565167834
Energy: 0.5247263912798917
Energy: 0.5357618308972938
Energy: 0.5548155515463873
Energy: 0.48461142606875945
Energy: 0.5548155515469052
Energy: 0.49145745887024733
Energy: 0.5309206606924289
Energy: 0.5140318713394116
Energy: 0.5309206606955365
Energy: 0.5642704649120245
Energy: 0.5962582497924748
Energy: 0.49207967400394975
Energy: 0.5962582497919567
Energy: 0.511849944437548
Energy: 0.5891238610386847
Energy: 0.4892055571904664
Energy: 0.5891238610376488
Energy: 0.5041230618539213
Energy: 0.5300406806341105
Energy: 0.49694117420543615
Energy: 0.5300406806356643
Energy: 0.4912614778240691
Energy: 0.5938866084518992
Energy: 0.5283546027249912
Energy: 0.5938866084513814
Energy: 0.4886492002584612
Energy: 0.5293442984671546
Energy: 0.4839296100076286
Energy: 0.5293442984656008
Energy: 0.48903069481564654
Energy: 0.5890841767949355
Energy: 0.48961918291335865
Energy: 0.5890841767964894
Energy: 0.4920169198974564
Energy: 0.5987332045928073
Energy: 0.5763707071091703
Energy: 0.5987332045928073
Energy: 0.5248896465682268
Energy: 0.5963367397803865
Energy: 0.49497836792833333
Energy: 0.5963367397798685
Energy: 0.48719156602531105
Energy: 0.504749551584838
Energy: 0.5141202101073387
Energy: 0.504749551585874
Energy: 0.5240305308328416
Energy: 0.5245685399469864
Energy: 0.49984712624887173
Energy: 0.5245685399469864
Energy: 0.48963286184802896
Energy: 0.5956152031822921
Energy: 0.5049837935457187
Energy: 0.5956152031802204
Energy: 0.6285412794594707
Energy: 0.5317595835118545
Energy: 0.4907013337973008
Energy: 0.5317595835103007

minimum gb energy = 0.48181682203491927 eV
minimum distance =  2.5623441823364 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.44027205156751714
Energy: 0.4405200975845901
Energy: 0.5407290112547781
Energy: 0.4405200975845901
Energy: 0.44089535908879396
Energy: 0.453623631781393
Energy: 0.4504547964136149
Energy: 0.453623631781393
Energy: 0.4487472831130821
Energy: 0.5140049002165531
Energy: 0.788170288705687
Energy: 0.5140049002165531
Energy: 0.4622633484052389
Energy: 0.4535808328228601
Energy: 0.45052846195265217
Energy: 0.45358083282150496
Energy: 0.44878930475636686
Energy: 0.4807080240172004
Energy: 0.7455387945433868
Energy: 0.4807080240172004
Energy: 0.44885595333107586
Energy: 0.4407262526710748
Energy: 0.4423694522414348
Energy: 0.4407262526710748
Energy: 0.44895591514866173
Energy: 0.5157951358043651
Energy: 0.44070175967219033
Energy: 0.5157951358043651
Energy: 0.46060599718429845
Energy: 0.5140528839154273
Energy: 0.4504664004291008
Energy: 0.514052883914072
Energy: 0.44897095298678147
Energy: 0.4807709949463457
Energy: 0.46279673541894895
Energy: 0.4807709949449905
Energy: 0.45366668691780954
Energy: 0.4789540394617182
Energy: 0.44889861348336946
Energy: 0.4789540394657837
Energy: 0.4402806324492617
Energy: 0.453668413917935
Energy: 0.44872797265878533
Energy: 0.4536684139165798
Energy: 0.44045559384428745
Energy: 0.5138396570399671
Energy: 0.45046586833192576
Energy: 0.5138396570399671
Energy: 0.4493650043795511
Energy: 0.4406706236878774
Energy: 0.4624322141846677
Energy: 0.4406706236878774
Energy: 0.4489658243579248
Energy: 0.4789854330407713
Energy: 0.44899406520534846
Energy: 0.4789854330407713
Energy: 0.468526713546197
Energy: 0.44145122266785847
Energy: 0.44880003510780053
Energy: 0.44145122266785847

minimum gb energy = 0.44027205156751714 eV
minimum distance =  2.59330204658011 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.45180965432330883
Energy: 0.4350973728242414
Energy: 0.7913001596541174
Energy: 0.4350973728270814
Energy: 0.525651602003479
Energy: 0.4449103154882507
Energy: 0.4350836301070421
Energy: 0.44491031548711474
Energy: 0.43531658194541356
Energy: 0.4354594882012984
Energy: 0.7092459857282718
Energy: 0.4354594881973224
Energy: 0.4357557882036079
Energy: 0.4449106951995935
Energy: 0.43250288711017193
Energy: 0.4449106952030014
Energy: 0.4419146022351951
Energy: 0.4652186314339382
Energy: 0.4768952528019285
Energy: 0.46521863143507425
Energy: 0.44166327764706664
Energy: 0.4465849139570985
Energy: 0.4427965605284272
Energy: 0.4465849139570985
Energy: 0.44188942342696863
Energy: 0.4463073069126878
Energy: 0.6163267342115518
Energy: 0.4463073069132558
Energy: 0.4366789466390737
Energy: 0.44550100479546906
Energy: 0.4428105422156393
Energy: 0.44550100479035704
Energy: 0.4416234987572673
Energy: 0.4630008639033488
Energy: 0.5177200061792818
Energy: 0.46300086390618883
Energy: 0.5240452107441538
Energy: 0.47290026141612196
Energy: 0.4323279219757113
Energy: 0.47290026141441793
Energy: 0.44116297018767786
Energy: 0.4737671798937501
Energy: 0.4539349964754197
Energy: 0.4737671798982941
Energy: 0.5794463309545924
Energy: 0.4729214676074839
Energy: 0.4368991489985518
Energy: 0.47292146760577985
Energy: 0.45879975164907466
Energy: 0.44321074939313854
Energy: 0.4444832293664434
Energy: 0.4432107493925705
Energy: 0.6004148240386011
Energy: 0.4731664601478487
Energy: 0.4366282181613872
Energy: 0.4731664601450087
Energy: 0.4414985649660155
Energy: 0.4346803122949165
Energy: 0.4426721726403727
Energy: 0.4346803122943485
Energy: 0.4372058062876561
Energy: 0.47325824521773147
Energy: 0.4310803309399061
Energy: 0.4732582452188675
Energy: 0.44496375732511617
Energy: 0.461552765126598
Energy: 0.43102187296632766
Energy: 0.46155276512489396
Energy: 0.4525868429638688
Energy: 0.4617383574948491
Energy: 0.4413530701139549
Energy: 0.461738357489737
Energy: 0.44476128407491217
Energy: 0.4456506974208569
Energy: 0.44170230289972395
Energy: 0.4456506974169067
Energy: 0.44483772009749173
Energy: 0.44556017609374166
Energy: 0.4413533301378638
Energy: 0.44556017607442966
Energy: 0.45260759039351395
Energy: 0.46196294819073086
Energy: 0.44160894095094333
Energy: 0.46196294819357087
Energy: 0.44491605430551934
Energy: 0.46146143053949834
Energy: 0.43121272148100254
Energy: 0.4614614305406344
Energy: 0.43707027087744554
Energy: 0.4736157731900784
Energy: 0.43098402728823015
Energy: 0.47361577318837444
Energy: 0.44118810761047905
Energy: 0.4346240118761009
Energy: 0.46022406864083737
Energy: 0.43462401187666894
Energy: 0.600310402399523
Energy: 0.47321500016832674
Energy: 0.43686416035512116
Energy: 0.4732150001723027
Energy: 0.4587077677317857
Energy: 0.44304006612996166
Energy: 0.44686231479778205
Energy: 0.44304006613052965
Energy: 0.5789529477484033
Energy: 0.4729486845566604
Energy: 0.43684956337361414
Energy: 0.4729486845532525
Energy: 0.4413578366970104
Energy: 0.4737893204518845
Energy: 0.4537899297925515
Energy: 0.47378932045018046
Energy: 0.5239461301863262
Energy: 0.4728743737340481
Energy: 0.4323813537426104
Energy: 0.4728743737334802
Energy: 0.4417857436734509
Energy: 0.4632386366144092
Energy: 0.5901385737385407
Energy: 0.46323863661724923
Energy: 0.43619934362191276
Energy: 0.4453429870038251
Energy: 0.44279686043829336
Energy: 0.445342987008369
Energy: 0.44168796264181426
Energy: 0.4456984069428645
Energy: 0.649167098813804
Energy: 0.44569840714613107
Energy: 0.43981765999295175
Energy: 0.4461558129436858
Energy: 0.4428800636748904
Energy: 0.44615581294879775
Energy: 0.441808978700944
Energy: 0.4652457095245237
Energy: 0.4742479156695537
Energy: 0.46524570952111566
Energy: 0.43570066221515796
Energy: 0.44486621261862686
Energy: 0.4323287742876227
Energy: 0.4448662126197629

minimum gb energy = 0.43098402728823015 eV
minimum distance =  2.59994086201397 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.4142569683355839
Energy: 0.41452845255713283
Energy: 0.4514294291208172
Energy: 0.41452845255713283
Energy: 0.4602510601775147
Energy: 0.5509095435638408
Energy: 0.4007069167827384
Energy: 0.5509095435638408
Energy: 0.40313601123617027
Energy: 0.6777556776253193
Energy: 0.7460161833169898
Energy: 0.6777556776262965
Energy: 0.39535777881939455
Energy: 0.5523171208636958
Energy: 0.4008016867353373
Energy: 0.5523171208627186
Energy: 0.3997545468063135
Energy: 0.4141606251024079
Energy: 0.4579942832823603
Energy: 0.4141606251043624
Energy: 0.40835781343782174
Energy: 0.5508393721610568
Energy: 0.39699763883435796
Energy: 0.550839372162034
Energy: 0.4119944415836362
Energy: 0.6910956093706777
Energy: 0.5193103794415593
Energy: 0.6910956093716549
Energy: 0.39987769467160567
Energy: 0.4145941756218829
Energy: 0.4160223681392782
Energy: 0.41459417562286016
Energy: 0.3998007657971151
Energy: 0.5507253723692811
Energy: 0.5193476255725162
Energy: 0.5507253723692811
Energy: 0.5710658240082167
Energy: 0.550916667456826
Energy: 0.39701405554062535
Energy: 0.550916667456826
Energy: 0.4119683050134153
Energy: 0.686369611418769
Energy: 0.39526563392168
Energy: 0.686369611418769
Energy: 0.534804944949177
Energy: 0.414296759015387
Energy: 0.4007804801583401
Energy: 0.414296759015387
Energy: 0.3951772920876554
Energy: 0.5507922226312131
Energy: 0.3988343700155741
Energy: 0.5507922226312131
Energy: 0.5193274053180557
Energy: 0.6874037673630922
Energy: 0.4000083251208541
Energy: 0.6874037673630922
Energy: 0.41430622802207456
Energy: 0.4367829548700064
Energy: 0.3998326427524752
Energy: 0.43678295487096147
Energy: 0.4143536971283249
Energy: 0.550727137496303
Energy: 0.4007820838463943
Energy: 0.5507271374953258
Energy: 0.39518028800923216
Energy: 0.4545343823768551
Energy: 0.41305812360708327
Energy: 0.4545343823768551
Energy: 0.39519050541486017
Energy: 0.6872758603773974
Energy: 0.39985875423873507
Energy: 0.6872758603773974
Energy: 0.4007481350861171
Energy: 0.41430256927519005
Energy: 0.3997908474035269
Energy: 0.41430256927519005
Energy: 0.39994882186345415
Energy: 0.5507848887097992
Energy: 0.39517117416829145
Energy: 0.5507848887107765

minimum gb energy = 0.39517117416829145 eV
minimum distance =  2.57246094318611 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.44842397731477
Energy: 0.6120807212179887
Energy: 0.42396993414656897
Energy: 0.6120807212187518
Energy: 0.592107240739184
Energy: 0.38800069080392385
Energy: 0.3760944891522685
Energy: 0.3880006908046869
Energy: 0.4232470845509048
Energy: 0.3801488275972033
Energy: 0.5028304084410695
Energy: 0.3801488275956772
Energy: 0.5096700713505803
Energy: 0.3923304507576153
Energy: 0.3783335592856041
Energy: 0.3923304507560892
Energy: 0.38234711938444316
Energy: 0.3832648296874655
Energy: 0.42089603321537705
Energy: 0.3832648296874655
Energy: 0.41498626850015696
Energy: 0.3806045616132951
Energy: 0.38417578043351513
Energy: 0.38060456162626755
Energy: 0.37644767037558785
Energy: 0.37257140390638527
Energy: 0.5865652571877442
Energy: 0.3725714039086745
Energy: 0.37259740740980785
Energy: 0.5549017903729639
Energy: 0.4242044017228089
Energy: 0.5549017903714378
Energy: 0.3759323602488433
Energy: 0.6099707871394286
Energy: 0.6356842506095594
Energy: 0.6099707871394286
Energy: 0.36697833244652245
Energy: 0.37263374897853657
Energy: 0.3971215193780986
Energy: 0.3726337489724319
Energy: 0.3767174621826029
Energy: 0.374428934435958
Energy: 0.5601473367851537
Energy: 0.3744289344314142
Energy: 0.5028342312055503
Energy: 0.4851231431782023
Energy: 0.42421294427941963
Energy: 0.48512314317286076
Energy: 0.37925230496653706
Energy: 0.39288194100920953
Energy: 0.5534322103486287
Energy: 0.3928819410084465
Energy: 0.48173223019402367
Energy: 0.49767567611858327
Energy: 0.3839562382374886
Energy: 0.49767567611705715
Energy: 0.3835303513631073
Energy: 0.3740062256304785
Energy: 0.41468878211741894
Energy: 0.3740062256327677
Energy: 0.527025042735945
Energy: 0.62349598668918
Energy: 0.37556631663880197
Energy: 0.6234959866884169
Energy: 0.42686735719031327
Energy: 0.5107835511358323
Energy: 0.4292545464417231
Energy: 0.5107835511365955
Energy: 0.5266225015643496
Energy: 0.3843134329887849
Energy: 0.3767112627470153
Energy: 0.3843134329941265
Energy: 0.4516001390038715
Energy: 0.3825279672303908
Energy: 0.3669981252674753
Energy: 0.38252796724031085
Energy: 0.602190229597542
Energy: 0.521514819106616
Energy: 0.3754599796276454
Energy: 0.52151481910509
Energy: 0.4268980179512627
Energy: 0.48397456322525556
Energy: 0.37239746659393186
Energy: 0.48397456322525556
Energy: 0.42372851417836543
Energy: 0.5061034648198517
Energy: 0.3816067535028268
Energy: 0.5061034648190886
Energy: 0.3835189653782289
Energy: 0.497720515337489
Energy: 0.48152988823075027
Energy: 0.49772051533977824
Energy: 0.4148369784443688
Energy: 0.6192413627558208
Energy: 0.38189225565033397
Energy: 0.6192413627550577
Energy: 0.3755920695955968
Energy: 0.5192400695447094
Energy: 0.5267640650975096
Energy: 0.5192400695424202
Energy: 0.3696326894392687
Energy: 0.5105118710516581
Energy: 0.4236859949601227
Energy: 0.5105118710531842

minimum gb energy = 0.36697833244652245 eV
minimum distance =  2.54256673434539 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.5018567829021613
Energy: 0.3574412085690297
Energy: 0.784252911637372
Energy: 0.3574412085677785
Energy: 0.566671094890091
Energy: 0.34790295912590424
Energy: 0.3445105272011
Energy: 0.347902959124653
Energy: 0.3547293369993653
Energy: 0.3433606830402253
Energy: 0.6724964431960218
Energy: 0.34336068304085093
Energy: 0.4945354059806713
Energy: 0.34802841650344896
Energy: 0.3444709164483476
Energy: 0.34802841650282335
Energy: 0.3415523694931463
Energy: 0.4376732902165577
Energy: 0.3832323574287599
Energy: 0.4376732902165577
Energy: 0.4153525795224965
Energy: 0.34795935625448793
Energy: 0.3444385147473374
Energy: 0.3479593562538624
Energy: 0.3439402809795847
Energy: 0.3477819540314465
Energy: 0.3798317671861082
Energy: 0.34778195403019535
Energy: 0.33751675895786737
Energy: 0.35497359444709903
Energy: 0.34219014335773695
Energy: 0.3549735944464734
Energy: 0.34595985970447374
Energy: 0.47182298961645514
Energy: 0.5016680636279476
Energy: 0.4718229896158296
Energy: 0.4155534620890622
Energy: 0.3432444645242682
Energy: 0.3553241235672787
Energy: 0.3432444645261166
Energy: 0.34392541480280286
Energy: 0.34784485683716293
Energy: 0.5673623844415855
Energy: 0.34784485683841415
Energy: 0.3397898283266125
Energy: 0.3567600001860245
Energy: 0.5023353928896857
Energy: 0.356760000183522
Energy: 0.346262731034955
Energy: 0.47104837296638136
Energy: 0.5998323720013501
Energy: 0.47104837296387897
Energy: 0.4519365720415127
Energy: 0.47023834072647347
Energy: 0.35543610813324145
Energy: 0.4702383407233454
Energy: 0.34397216099949973
Energy: 0.3479129657512047
Energy: 0.49921571142521604
Energy: 0.3479129657468255
Energy: 0.43641907239116345
Energy: 0.4284375032059075
Energy: 0.34219357563571134
Energy: 0.42843750320465634
Energy: 0.34617186510038994
Energy: 0.4702917456525515
Energy: 0.4573140535739472
Energy: 0.47029174565505383
Energy: 0.4326646263673861
Energy: 0.47008017952359654
Energy: 0.34447278183449204
Energy: 0.4700801795223453
Energy: 0.34397386918061124
Energy: 0.3549315281801972
Energy: 0.3373797151745372
Energy: 0.3549315281801972
Energy: 0.4286557830043737
Energy: 0.47168753178806055
Energy: 0.34846551261587205
Energy: 0.471687531787435
Energy: 0.35718214543411725
Energy: 0.469343184096736
Energy: 0.3417484215484043
Energy: 0.4693431840961103
Energy: 0.5669543840163889
Energy: 0.578643650456073
Energy: 0.344676639140126
Energy: 0.5786436504554474
Energy: 0.5036714831481598
Energy: 0.35540043752432793
Energy: 0.33965342941986904
Energy: 0.3554004375237023
Energy: 0.5026814338912141
Energy: 0.469006060032833
Energy: 0.34824143154496723
Energy: 0.4690060600334587
Energy: 0.357224895370284
Energy: 0.5579717316948778
Energy: 0.3431977587800608
Energy: 0.5579717316942522
Energy: 0.49651415740784194
Energy: 0.5785359080287144
Energy: 0.34448338353165775
Energy: 0.578535908027463
Energy: 0.3439867053511364
Energy: 0.427999233085917
Energy: 0.4363033123659113
Energy: 0.42799923308654253
Energy: 0.3421169693513764
Energy: 0.558758679474923
Energy: 0.348317511099928
Energy: 0.5587586794742975
Energy: 0.34600402725474383
Energy: 0.5581463117621527
Energy: 0.4327284845689279
Energy: 0.5581463117621527
Energy: 0.3373916209441729
Energy: 0.5783830220129891
Energy: 0.34674517129592514
Energy: 0.5783830220129891
Energy: 0.34393976138265914
Energy: 0.4690942922997971
Energy: 0.42868433312211957
Energy: 0.4690942922997971
Energy: 0.33943265514406995
Energy: 0.5590006843836026
Energy: 0.35984573437793693
Energy: 0.5590006843842282

minimum gb energy = 0.3373797151745372 eV
minimum distance =  2.51566551285163 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.4594488727891186
Energy: 0.5260889268754054
Energy: 0.3243029629115245
Energy: 0.5260889268759354
Energy: 0.5716300881383339
Energy: 0.4301358709358634
Energy: 0.32772925200137165
Energy: 0.4301358709326836
Energy: 0.3390389450559831
Energy: 0.3268027135178834
Energy: 0.6450447132292614
Energy: 0.32680271351841345
Energy: 0.5098545767079536
Energy: 0.4294965850674926
Energy: 0.32765492748446734
Energy: 0.4294965850674926
Energy: 0.3257722316407984
Energy: 0.5251358116799948
Energy: 0.31700651552651365
Energy: 0.5251358116799948
Energy: 0.4470462752862407
Energy: 0.42849685209686134
Energy: 0.3276283042122505
Energy: 0.4284968521005711
Energy: 0.3272744155606042
Energy: 0.33393401802578476
Energy: 0.3509942496109068
Energy: 0.3339340180321444
Energy: 0.3824057137357977
Energy: 0.3323536776669057
Energy: 0.32764619292521174
Energy: 0.33235367766266594
Energy: 0.3287755396955812
Energy: 0.530094403960542
Energy: 0.4921263682866419
Energy: 0.5300944039600122
Energy: 0.3159139163038093
Energy: 0.4286978760174862
Energy: 0.32619478454141027
Energy: 0.4286978760180162
Energy: 0.327263785285563
Energy: 0.4301462469977565
Energy: 0.519280984193468
Energy: 0.4301462469977565
Energy: 0.37994905522555467
Energy: 0.326875471160161
Energy: 0.3393993834361229
Energy: 0.326875471160691
Energy: 0.3286491297528138
Energy: 0.5302938424158686
Energy: 0.5642922767913348
Energy: 0.5302938424148086
Energy: 0.3173434402747356
Energy: 0.5253901753891265
Energy: 0.45974178653347897
Energy: 0.5253901753896565
Energy: 0.32726456752802574
Energy: 0.42946237188868164
Energy: 0.5700155443526006
Energy: 0.4294623718870917
Energy: 0.41188018589520214
Energy: 0.3267891703083005
Energy: 0.3393979518933161
Energy: 0.32678917030671056
Energy: 0.32876750574076224
Energy: 0.5303864282931051
Energy: 0.509267195274962
Energy: 0.5303864282925751
Energy: 0.4015831052731267
Energy: 0.5234036461060163
Energy: 0.3261475003786622
Energy: 0.5234036461049565
Energy: 0.32730353345381197
Energy: 0.42891979692583104
Energy: 0.45102000970436185
Energy: 0.42891979692583104
Energy: 0.39858530510736456
Energy: 0.38934709452054195
Energy: 0.32763308708121786
Energy: 0.38934709452213184
Energy: 0.3286670473164076
Energy: 0.5212994405765485
Energy: 0.38262853752725456
Energy: 0.5212994405776085
Energy: 0.3941593083272277
Energy: 0.5279371153422092
Energy: 0.3304287632501506
Energy: 0.5279371153416793
Energy: 0.32731354045409067
Energy: 0.4290477763124431
Energy: 0.31572745192367235
Energy: 0.42904777631191315
Energy: 0.520124079438486
Energy: 0.4302248154496151
Energy: 0.32767709094946024
Energy: 0.4302248154480252
Energy: 0.3404094825349578
Energy: 0.5217311905979845
Energy: 0.31806735707627565
Energy: 0.5217311905990444
Energy: 0.5167169475821641
Energy: 0.5286110250254001
Energy: 0.33056811045760187
Energy: 0.5286110250259302
Energy: 0.4607421524874198
Energy: 0.522593837897484
Energy: 0.3173305978492022
Energy: 0.522593837898014
Energy: 0.5775542727930606
Energy: 0.4296063314999496
Energy: 0.3277284431522349
Energy: 0.4296063315015395
Energy: 0.3405306861615407
Energy: 0.5419134990141508
Energy: 0.32040527032766425
Energy: 0.5419134990130908
Energy: 0.4506570172666382
Energy: 0.528649240246132
Energy: 0.3305043743182043
Energy: 0.5286492402456021
Energy: 0.3273178400651827
Energy: 0.5285213047115025
Energy: 0.4017600278759387
Energy: 0.5285213047130924
Energy: 0.4465599555743187
Energy: 0.5084674248459166
Energy: 0.32768141912297527
Energy: 0.5084674248453865
Energy: 0.3287839834410044
Energy: 0.5422124091668935
Energy: 0.3985688499496662
Energy: 0.5422124091684835
Energy: 0.31825106869839376
Energy: 0.520388227361874
Energy: 0.33053672564792236
Energy: 0.5203882273629339
Energy: 0.32084529034854425
Energy: 0.5286923408331073
Energy: 0.39398367195449707
Energy: 0.5286923408309874
Energy: 0.3156012804009218
Energy: 0.5082662665485814
Energy: 0.32920611460544463
Energy: 0.5082662665469916
Energy: 0.328783201446955
Energy: 0.5420936069240698
Energy: 0.5203937388109233
Energy: 0.5420936069235399

minimum gb energy = 0.3156012804009218 eV
minimum distance =  2.5752180853394 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.4340327759488719
Energy: 0.4928371104021513
Energy: 0.28909917521372847
Energy: 0.49283711040123196
Energy: 0.6175537336513776
Energy: 0.4081001380984143
Energy: 0.30145412336269983
Energy: 0.40810013809887397
Energy: 0.4148689232622155
Energy: 0.3184538577542042
Energy: 0.41647203063060484
Energy: 0.3184538577532849
Energy: 0.5085558408053099
Energy: 0.4081222526076447
Energy: 0.3014606694533672
Energy: 0.40812225260718504
Energy: 0.3169026201445251
Energy: 0.3010364810016715
Energy: 0.285505830489122
Energy: 0.3010364810007522
Energy: 0.45550707563869
Energy: 0.4082099109686472
Energy: 0.3014143051142962
Energy: 0.40820991096818754
Energy: 0.29952517518447686
Energy: 0.3758329021335059
Energy: 0.34557848131429236
Energy: 0.3758329021335059
Energy: 0.3976976787102061
Energy: 0.4068242464802085
Energy: 0.3014316611214495
Energy: 0.4068242464802085
Energy: 0.3010172095685868
Energy: 0.3079302279524606
Energy: 0.4113996953410809
Energy: 0.307930228009436
Energy: 0.34310176447840895
Energy: 0.3760064161397554
Energy: 0.3000167300185592
Energy: 0.3760064161360782
Energy: 0.30251125133622225
Energy: 0.4079073775383975
Energy: 0.46286652521341176
Energy: 0.40790737753885714
Energy: 0.28569293007800706
Energy: 0.4074966851279637
Energy: 0.3173239353626676
Energy: 0.4074966851279637
Energy: 0.30111272783309306
Energy: 0.3079623261546917
Energy: 0.5157171595823817
Energy: 0.30796232615515134
Energy: 0.34058758485235563
Energy: 0.3183220566798204
Energy: 0.4152902539231757
Energy: 0.3183220566798204
Energy: 0.30241347717297706
Energy: 0.40805737505400624
Energy: 0.5571533303108288
Energy: 0.40805737505446593
Energy: 0.2871033404641902
Energy: 0.49253129547144675
Energy: 0.43435667731076183
Energy: 0.49253129547144675
Energy: 0.3011170697941545
Energy: 0.30803492481121136
Energy: 0.5572158342126556
Energy: 0.3080349248107516
Energy: 0.37010866777790635
Energy: 0.31815739113385827
Energy: 0.41530176591924034
Energy: 0.3181573911333987
Energy: 0.3022963411962914
Energy: 0.4080416880613775
Energy: 0.5081863416732818
Energy: 0.40804168806183716
Energy: 0.3607795702292771
Energy: 0.49930442739197856
Energy: 0.3173004837817287
Energy: 0.4993044273915189
Energy: 0.30108030137189046
Energy: 0.3079272897035285
Energy: 0.45504728850806786
Energy: 0.30792728970398814
Energy: 0.3588212193191303
Energy: 0.3654939021900424
Energy: 0.299977520230807
Energy: 0.36549390219555816
Energy: 0.3024740152718028
Energy: 0.40661676370402533
Energy: 0.3984045639669535
Energy: 0.40661676370356564
Energy: 0.3571133917311808
Energy: 0.5015475578814949
Energy: 0.3014170530433956
Energy: 0.5015475578814949
Energy: 0.30116452914256525
Energy: 0.31799617932542257
Energy: 0.3431661849189528
Energy: 0.317996179324963
Energy: 0.4632198435903736
Energy: 0.40819877568951196
Energy: 0.30184447143452897
Energy: 0.40819877568537516
Energy: 0.3183187444591198
Energy: 0.4065484691205578
Energy: 0.28559460017431676
Energy: 0.4065484691205578
Energy: 0.4666916738521202
Energy: 0.5005652379533425
Energy: 0.30141181891218244
Energy: 0.5005652379528829
Energy: 0.41622386149279084
Energy: 0.36646657632836327
Energy: 0.28854530468665834
Energy: 0.3664665763269844
Energy: 0.5582285858738542
Energy: 0.4079151187079618
Energy: 0.30175796971216856
Energy: 0.40791511870842145
Energy: 0.4354288548865099
Energy: 0.4872664908774389
Energy: 0.28698892779734253
Energy: 0.48726649087697926
Energy: 0.5179266301570645
Energy: 0.49813303236510476
Energy: 0.3015866062543156
Energy: 0.49813303236510476
Energy: 0.41631021960371206
Energy: 0.3170673484927263
Energy: 0.28892546982937073
Energy: 0.31706734848996837
Energy: 0.5079382039131349
Energy: 0.40794445490833875
Energy: 0.30193017916472015
Energy: 0.4079444549069598
Energy: 0.3183673488415576
Energy: 0.4933279708049798
Energy: 0.3606268703140293
Energy: 0.4933279708049798
Energy: 0.4039090616321614
Energy: 0.4980953652403047
Energy: 0.30143464953791477
Energy: 0.498095365239845
Energy: 0.30107504349846503
Energy: 0.3652834742369742
Energy: 0.35871744118407284
Energy: 0.365283474234676
Energy: 0.3982886827145868
Energy: 0.40653837770415924
Energy: 0.3020178504052954
Energy: 0.40653837770324
Energy: 0.30245158815913087
Energy: 0.49320734083390255
Energy: 0.3570986795285598
Energy: 0.49320734083390255
Energy: 0.2892871008002029
Energy: 0.4309951463803378
Energy: 0.3029315135170021
Energy: 0.4309951463817167
Energy: 0.3012207546511758
Energy: 0.4069839621934752
Energy: 0.46374677506221257
Energy: 0.40698396219393485
Energy: 0.2855635623646853
Energy: 0.4064308032650529
Energy: 0.31708678037217297
Energy: 0.4064308032655125
Energy: 0.3022599950760137
Energy: 0.49312981944266066
Energy: 0.4671425134453184
Energy: 0.49312981944266066

minimum gb energy = 0.285505830489122 eV
minimum distance =  2.5919308783034 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.011705483600745775
Energy: 0.013305802659844245
Energy: 0.5873445838312964
Energy: 0.013305802658116744
Energy: 0.5873291740378199
Energy: 0.1991945984702226
Energy: 0.20024402303503952
Energy: 0.19919459846953552
Energy: 0.011705483600745775
Energy: 0.013305802659510526
Energy: 0.5873446372078568
Energy: 0.013305802658470096
Energy: 0.5873291740378199
Energy: 0.19919459846953552
Energy: 0.20024402303435243
Energy: 0.19919459846920182
Energy: 0.011705483601079498
Energy: 0.013305802659157172
Energy: 0.5873444759312894
Energy: 0.013305802658116744
Energy: 0.5873291740378199
Energy: 0.1991945984702226
Energy: 0.20024402303399907
Energy: 0.1991945984698889

minimum gb energy = 0.011705483600745775 eV
minimum distance =  2.83998504594231 Angstroms
sigma value = 1