Model name: model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
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=4.050000071525574
cohesive_energy=3.360264240729233
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: -4.3766955338e-11 eV

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

Energy: 0.010351875915110812
Energy: 0.011051223264117133
Energy: 0.010467085051922963
Energy: 0.011051223264117133
Energy: 0.011051223264589087
Energy: 0.40967507290745814
Energy: 0.011051223264117133
Energy: 0.40967507290793004
Energy: 0.010467085051423247
Energy: 0.011051223264117133
Energy: 0.010351875915110812
Energy: 0.011051223264589087
Energy: 0.011051223264117133
Energy: 0.40967507290793004
Energy: 0.011051223264589087
Energy: 0.40967507290793004

minimum gb energy = 0.010351875915110812 eV
minimum distance =  2.81208943333019 Angstroms
sigma value = 1


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

Energy: 0.5366509697182212
Energy: 0.5324104539974719
Energy: 0.5225750752339358
Energy: 0.5324104539956538
Energy: 0.5103469443557409
Energy: 0.5287167375343906
Energy: 0.5117228047734973
Energy: 0.5287167375343906
Energy: 0.4947222981579538
Energy: 0.5239172761678296
Energy: 0.5124030244361726
Energy: 0.5239172761684358
Energy: 0.5022305692066908
Energy: 0.5295653297260712
Energy: 0.4946755977596117
Energy: 0.5295653297278893
Energy: 0.5021571733093206
Energy: 0.536452475199905
Energy: 0.5038935874176868
Energy: 0.5364524751986929
Energy: 0.4929842609376696
Energy: 0.6033516105295149
Energy: 0.48350526842669933
Energy: 0.6033516105295149
Energy: 0.5255125474214203
Energy: 0.5235940537726904
Energy: 0.4932528085970849
Energy: 0.5235940537720845
Energy: 0.48129939923393145
Energy: 0.5366070376057159
Energy: 0.4807514948417423
Energy: 0.5366070376062945
Energy: 0.4946392770988866
Energy: 0.61068445232529
Energy: 0.5210156284246186
Energy: 0.6106844523258962
Energy: 0.4768314142251081
Energy: 0.5233296872942691
Energy: 0.4753374331543784
Energy: 0.5233296872948753
Energy: 0.5071109423023182
Energy: 0.5266961522985263
Energy: 0.49481745259682824
Energy: 0.5266961522997383
Energy: 0.5266831668725588
Energy: 0.5365993948116933
Energy: 0.4918540433191073
Energy: 0.5365993948116933
Energy: 0.5161175545909867
Energy: 0.5220293650973056
Energy: 0.525397001837929
Energy: 0.5220293650973056
Energy: 0.5107774058574164
Energy: 0.5312576417485867
Energy: 0.4862877123847886
Energy: 0.5312576417479805
Energy: 0.5082801433829264
Energy: 0.5328755760944737
Energy: 0.4957499215020943
Energy: 0.5328755760944737
Energy: 0.5053702818723237
Energy: 0.5328468327993189
Energy: 0.49938788856319577
Energy: 0.532846832799925
Energy: 0.5115618470511702
Energy: 0.5239045508299465
Energy: 0.4852388544987902
Energy: 0.5239045508311585
Energy: 0.5116156206814328
Energy: 0.5202934877599573
Energy: 0.511009447770472
Energy: 0.5202934877599573
Energy: 0.5021030679267222
Energy: 0.5348161583650105
Energy: 0.4880783620133058
Energy: 0.5348161583650105
Energy: 0.5267934644807925
Energy: 0.4975883371800994
Energy: 0.4960228352760477
Energy: 0.4975883371795209
Energy: 0.48232902078449497
Energy: 0.5239728481399455
Energy: 0.4747790539160482
Energy: 0.5239728481399455
Energy: 0.4946758466053573
Energy: 0.5009222768891212
Energy: 0.5668863664769106
Energy: 0.5009222768903333
Energy: 0.5517093377054935
Energy: 0.5364548396148388
Energy: 0.48578815945665693
Energy: 0.5364548396148388
Energy: 0.5401721868288736
Energy: 0.5241569969763118
Energy: 0.49301291416191384
Energy: 0.5241569969757057
Energy: 0.4930820015398278
Energy: 0.5274422577315004
Energy: 0.5731024843034394
Energy: 0.5274422577302884
Energy: 0.502920923099353
Energy: 0.5367208527364186
Energy: 0.4989406657435879
Energy: 0.5367208527364186
Energy: 0.5062948846921348
Energy: 0.5197987602988369
Energy: 0.4946090763376143
Energy: 0.5197987602988369
Energy: 0.4965485892840204
Energy: 0.5220835909177319
Energy: 0.5207685360273049
Energy: 0.5220835909171259
Energy: 0.5099016040221551
Energy: 0.5155053331182471
Energy: 0.5007548594107866
Energy: 0.5155053331188529
Energy: 0.5267524697764946
Energy: 0.5330748331599566
Energy: 0.523486847796653
Energy: 0.5330748331593506
Energy: 0.5026154566643168
Energy: 0.5280863870132289
Energy: 0.5114093008358328
Energy: 0.5280863870138349
Energy: 0.4979602336305465
Energy: 0.5257300928879448
Energy: 0.5108636518953975
Energy: 0.5257300928873389
Energy: 0.5022576321743148
Energy: 0.5445140726040102
Energy: 0.4959694209081527
Energy: 0.5445140726052223

minimum gb energy = 0.4747790539160482 eV
minimum distance =  2.57406653085593 Angstroms
sigma value = 1


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

Energy: 0.5583073376704859
Energy: 0.5691339331877427
Energy: 0.5451171555861146
Energy: 0.5691339331884339
Energy: 0.5210942777550415
Energy: 0.547042516008122
Energy: 0.5217830239559329
Energy: 0.547042516008122
Energy: 0.5105089135079998
Energy: 0.5698221114737304
Energy: 0.510727367757358
Energy: 0.5698221114716573
Energy: 0.5036564149308007
Energy: 0.5065160204672383
Energy: 0.5091454764741318
Energy: 0.5065160204700023
Energy: 0.5059321009621963
Energy: 0.5537219679139022
Energy: 0.5187039250221439
Energy: 0.5537219679097561
Energy: 0.5550009944417511
Energy: 0.5537243577789979
Energy: 0.5671298956261911
Energy: 0.5537243577769563
Energy: 0.5217863885980688
Energy: 0.510857606549619
Energy: 0.5072407207397697
Energy: 0.5108576065592931
Energy: 0.4865510485091177
Energy: 0.5701600194268207
Energy: 0.49405238279663827
Energy: 0.5701600194316578
Energy: 0.5056248480412432
Energy: 0.5176116237892403
Energy: 0.5391607951369293
Energy: 0.5176116237926953
Energy: 0.4962442243781555
Energy: 0.5702747176868721
Energy: 0.5409636525838809
Energy: 0.5702747176834171
Energy: 0.5219274165080581
Energy: 0.5363291298094492
Energy: 0.5309513148007036
Energy: 0.5363291298142863
Energy: 0.4963753666227341
Energy: 0.5607138695243902
Energy: 0.5105851647915943
Energy: 0.5607138695306091
Energy: 0.5176936920268937
Energy: 0.5514953616727076
Energy: 0.5186585834212024
Energy: 0.5514953616768535
Energy: 0.5174092670294678
Energy: 0.5515386662217004
Energy: 0.5169088480925426
Energy: 0.5515386662175544
Energy: 0.4964396882424551
Energy: 0.5606543409204356
Energy: 0.5335380041813965
Energy: 0.5606543409176716
Energy: 0.5218610388574931
Energy: 0.5362432389250441
Energy: 0.5217824579867013
Energy: 0.5362432389264262
Energy: 0.49628360868727633
Energy: 0.5702270672234443
Energy: 0.4897015453802256
Energy: 0.5702270672206803
Energy: 0.5055905252561922
Energy: 0.5176150761088736
Energy: 0.539300126564195
Energy: 0.5176150761116375
Energy: 0.48665262766610107
Energy: 0.5700614965139646
Energy: 0.49273887495001767
Energy: 0.5700614965187702
Energy: 0.5218089221612552
Energy: 0.5096377604878323
Energy: 0.5106994760331931
Energy: 0.5096377604885232
Energy: 0.5549585080823467
Energy: 0.5536985894070497
Energy: 0.49630445897651915
Energy: 0.5536985894077406
Energy: 0.5035481298246723
Energy: 0.5537457331338789
Energy: 0.5203397274130271
Energy: 0.5537457331345698
Energy: 0.5036467679578817
Energy: 0.5066035526091983
Energy: 0.5013472950276509
Energy: 0.5066035526085072
Energy: 0.5107850514824283
Energy: 0.5697866355866877
Energy: 0.5290110402850239
Energy: 0.5697866355915249
Energy: 0.5210752317134384
Energy: 0.5470687927998862
Energy: 0.5217147435997882
Energy: 0.5470687927971222
Energy: 0.5583073376711769
Energy: 0.5691339331877427
Energy: 0.5448125466659137
Energy: 0.5691339331884339
Energy: 0.5210942777543506
Energy: 0.5470425160074311
Energy: 0.5217830239559329
Energy: 0.547042516008122
Energy: 0.5105089135079998
Energy: 0.5698221114737304
Energy: 0.510727367756667
Energy: 0.5698221114716573
Energy: 0.5036564149301097
Energy: 0.5065160204679292
Energy: 0.5091454764741318
Energy: 0.5065160204700023

minimum gb energy = 0.4865510485091177 eV
minimum distance =  2.5283444727799 Angstroms
sigma value = 25


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

Energy: 0.5466739482134163
Energy: 0.5845483927928685
Energy: 0.5689944715131261
Energy: 0.5845483927928685
Energy: 0.5449291787873705
Energy: 0.5523594297483752
Energy: 0.5248626314190102
Energy: 0.5523594297475718
Energy: 0.5276144914206936
Energy: 0.6127408545437739
Energy: 0.525832639709763
Energy: 0.6127408545437739
Energy: 0.5182506583995455
Energy: 0.5327248642716418
Energy: 0.5200316088107017
Energy: 0.5327248642716418
Energy: 0.5216522888207463
Energy: 0.5875354274388016
Energy: 0.5336393071700912
Energy: 0.5875354274388016
Energy: 0.5802519343292518
Energy: 0.6135438020844708
Energy: 0.5998857655422961
Energy: 0.6135438020844708
Energy: 0.5475963597707512
Energy: 0.52753359075083
Energy: 0.5395865450585803
Energy: 0.5275335907500266
Energy: 0.6262999563635452
Energy: 0.5864337512522824
Energy: 0.5143844231770703
Energy: 0.5864337512522824
Energy: 0.5397678323200931
Energy: 0.5584004676637025
Energy: 0.5473313003648052
Energy: 0.5584004676637025
Energy: 0.5216967195360932
Energy: 0.6132653552252413
Energy: 0.5117798049106399
Energy: 0.6132653552260445
Energy: 0.5405494781056946
Energy: 0.5845276137311655
Energy: 0.5252966581171381
Energy: 0.5845276137311655
Energy: 0.5407370596169426
Energy: 0.5845988437175764
Energy: 0.5258380222010891
Energy: 0.5845988437175764
Energy: 0.5240721053676224
Energy: 0.5711801648020014
Energy: 0.511173807346178
Energy: 0.5711801648020014
Energy: 0.5400331224216305
Energy: 0.559782175032468
Energy: 0.54727024256776
Energy: 0.559782175032468
Energy: 0.5061229038537612
Energy: 0.5871382322896715
Energy: 0.5135567549315
Energy: 0.5871382322896715
Energy: 0.5462839744822582
Energy: 0.5276604460340951
Energy: 0.5221230209521819
Energy: 0.5276604460348985
Energy: 0.5036444447888161
Energy: 0.6127915390914926
Energy: 0.49755787171194094
Energy: 0.6127915390906893
Energy: 0.5199608950570485
Energy: 0.5648295710248317
Energy: 0.5353332198931096
Energy: 0.564829571025635
Energy: 0.5138152619854076
Energy: 0.5761868753304314
Energy: 0.5222346608584248
Energy: 0.5761868753304314
Energy: 0.5467864405004099
Energy: 0.613296825686272
Energy: 0.5260881703394751
Energy: 0.613296825686272
Energy: 0.5318890654229211
Energy: 0.5548815507057396
Energy: 0.5261263614549716
Energy: 0.5548815507057396
Energy: 0.5468493788164522
Energy: 0.5858232151235802
Energy: 0.5725390705546711
Energy: 0.5858232151235802
Energy: 0.5442292345357567
Energy: 0.5682833856343992
Energy: 0.5248064971734426
Energy: 0.5682833856352024
Energy: 0.5272023497543699
Energy: 0.6120005251631444
Energy: 0.5215413949419451
Energy: 0.6120005251631444
Energy: 0.524935335583406
Energy: 0.5322773431123452
Energy: 0.5198674277849217
Energy: 0.532277343111542

minimum gb energy = 0.49755787171194094 eV
minimum distance =  2.5272803685528 Angstroms
sigma value = 9


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

Energy: 0.556960574165657
Energy: 0.5574004098059965
Energy: 0.5937255911120125
Energy: 0.5574004098069547
Energy: 0.5545887328391793
Energy: 0.5818385628178042
Energy: 0.546084351643381
Energy: 0.581838562816846
Energy: 0.543315578852184
Energy: 0.5612107754495321
Energy: 0.5275688402586751
Energy: 0.5612107754514488
Energy: 0.6519141011557709
Energy: 0.5632319142074541
Energy: 0.5311979321797409
Energy: 0.5632319142055376
Energy: 0.6124988252418451
Energy: 0.5816135770372396
Energy: 0.5622113728496506
Energy: 0.5816135770362815
Energy: 0.5019315986522332
Energy: 0.5612098126263052
Energy: 0.5664959538160181
Energy: 0.5612098126253469
Energy: 0.5731065701401188
Energy: 0.5317575803275587
Energy: 0.5318819716268967
Energy: 0.5317575803266005
Energy: 0.5785006596230019
Energy: 0.5610495615010621
Energy: 0.5301580237369358
Energy: 0.5610495615001039
Energy: 0.5569772497390499
Energy: 0.5817813588682236
Energy: 0.5678793231970979
Energy: 0.581781358869182
Energy: 0.5566692224601688
Energy: 0.5571974336501797
Energy: 0.5668040307818968
Energy: 0.5571974336492215
Energy: 0.5255487889759632
Energy: 0.5810823933995967
Energy: 0.538397815732078
Energy: 0.5810823933986384
Energy: 0.5573539300060083
Energy: 0.5889471894103029
Energy: 0.5334438504521799
Energy: 0.5889471894093445
Energy: 0.5019631893078158
Energy: 0.5610750169000976
Energy: 0.520303018157974
Energy: 0.5610750169000976
Energy: 0.5691042579131191
Energy: 0.554105334638503
Energy: 0.5559428502129409
Energy: 0.5541053346365864
Energy: 0.5020081656058377
Energy: 0.560954642140867
Energy: 0.5775334901034914
Energy: 0.5609546421389506
Energy: 0.5588403585442779
Energy: 0.5889350530841405
Energy: 0.5334546622472389
Energy: 0.588935053082224
Energy: 0.5255390851198255
Energy: 0.5811280599526263
Energy: 0.5286786150472704
Energy: 0.5811280599526263
Energy: 0.5566440940604348
Energy: 0.5573603410854604
Energy: 0.5667768745438141
Energy: 0.5573603410854604
Energy: 0.5572079376674995
Energy: 0.5817835900970951
Energy: 0.5620378080325701
Energy: 0.5817835900970951
Energy: 0.5783476760621438
Energy: 0.5611217548224279
Energy: 0.5301953727108998
Energy: 0.5611217548233861
Energy: 0.5729506754321869
Energy: 0.5318304418443693
Energy: 0.5318889599777067
Energy: 0.5318304418443693

minimum gb energy = 0.5019315986522332 eV
minimum distance =  2.66600461702899 Angstroms
sigma value = 25


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

Energy: 0.5332266791564393
Energy: 0.6448389734541671
Energy: 0.5931398517883266
Energy: 0.6448389734529819
Energy: 0.5153391877360765
Energy: 0.5610057607433017
Energy: 0.5028223324209335
Energy: 0.5610057607421167
Energy: 0.5690722785049064
Energy: 0.6462943079268644
Energy: 0.5027816050158029
Energy: 0.6462943079268644
Energy: 0.5955984786988184
Energy: 0.6316617245586399
Energy: 0.6004050295608803
Energy: 0.6316617245586399
Energy: 0.5990473006404615
Energy: 0.5154074864922186
Energy: 0.5302613034327275
Energy: 0.5154074864922186
Energy: 0.5045570729519798
Energy: 0.5863634575429658
Energy: 0.5685702302992023
Energy: 0.5863634575429658
Energy: 0.5296622131676136
Energy: 0.5930698139131911
Energy: 0.5034100930262232
Energy: 0.5930698139131911
Energy: 0.5934360806626995
Energy: 0.6456979994198087
Energy: 0.533827430231314
Energy: 0.6456979994198087
Energy: 0.5028691388808647
Energy: 0.5609135433490006
Energy: 0.5168055695551672
Energy: 0.5609135433525287
Energy: 0.6348410446813287
Energy: 0.6174519387436042
Energy: 0.5683009223921416
Energy: 0.6174519387436042
Energy: 0.5427944451037902
Energy: 0.632524684832366
Energy: 0.6872088897336494
Energy: 0.632524684831181
Energy: 0.5023247697641634
Energy: 0.5464628976379845
Energy: 0.6271302386185479
Energy: 0.5464628976379845
Energy: 0.5930102429886386
Energy: 0.6523165888974618
Energy: 0.5020358840820323
Energy: 0.6523165888974618
Energy: 0.5029306614981409
Energy: 0.5031203603184484
Energy: 0.5957857244671266
Energy: 0.5031203603077828
Energy: 0.53739713694695
Energy: 0.6447006661528888
Energy: 0.6595895929515997
Energy: 0.644700666154074
Energy: 0.5165453543228364
Energy: 0.577640524126768
Energy: 0.5043572177034009
Energy: 0.5776405241243979
Energy: 0.5035250051351654
Energy: 0.5530757126922787
Energy: 0.6328062926141899
Energy: 0.5530757126922787

minimum gb energy = 0.5020358840820323 eV
minimum distance =  2.62270995589359 Angstroms
sigma value = 17


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

Energy: 0.5790198682580309
Energy: 0.5793248223522453
Energy: 0.6923816861613974
Energy: 0.5793248223522453
Energy: 0.5951466789277314
Energy: 0.5525443560576135
Energy: 0.5175527038935344
Energy: 0.5525443560582847
Energy: 0.6397156317742927
Energy: 0.5709433490286535
Energy: 0.5165628409123098
Energy: 0.5709433490286535
Energy: 0.5658530749069016
Energy: 0.5838687808143697
Energy: 0.5685357839041292
Energy: 0.5838687808157119
Energy: 0.63064851649562
Energy: 0.5577357507651609
Energy: 0.5449332630341995
Energy: 0.557735750765832
Energy: 0.5293162645207339
Energy: 0.5860177773976862
Energy: 0.6042258360196562
Energy: 0.5860177773976862
Energy: 0.5180744707642482
Energy: 0.5782819846470466
Energy: 0.5538491553019779
Energy: 0.5782819846470466
Energy: 0.6011122352462769
Energy: 0.5856158819725077
Energy: 0.5306896710727564
Energy: 0.5856158819718364
Energy: 0.5352945048759009
Energy: 0.6052297349046902
Energy: 0.6259103648419885
Energy: 0.6052297349053615
Energy: 0.6805422537647211
Energy: 0.5748782833636104
Energy: 0.5173000945272423
Energy: 0.5748782833642815
Energy: 0.5186947154536864
Energy: 0.5844509556122868
Energy: 0.6362477430867778
Energy: 0.5844509556129579
Energy: 0.5676407253185238
Energy: 0.577435123060237
Energy: 0.5652108089222149
Energy: 0.577435123060237
Energy: 0.6403829797447107
Energy: 0.5794043371939882
Energy: 0.5811963932123497
Energy: 0.5794043371939882
Energy: 0.5163334636524913
Energy: 0.6544095378635899
Energy: 0.5941836865162984
Energy: 0.6544095378635899
Energy: 0.5798930919044887
Energy: 0.5789775514357924
Energy: 0.5692940315060842
Energy: 0.5789775514357924
Energy: 0.5907562404202128
Energy: 0.5856060601314516
Energy: 0.6007579192800566
Energy: 0.5856060601307803
Energy: 0.553616214343735
Energy: 0.5988401231219935
Energy: 0.6689951142045389
Energy: 0.5988401231233358
Energy: 0.5764822836405908
Energy: 0.57132922254002
Energy: 0.5292448612917394
Energy: 0.5713292225393489
Energy: 0.5496739615301286
Energy: 0.6012261064255731
Energy: 0.5490604995391659
Energy: 0.6012261064255731
Energy: 0.5541773228855678
Energy: 0.5841342662277866
Energy: 0.5174080588411444
Energy: 0.5841342662298
Energy: 0.5577533490686083
Energy: 0.5759295484484735
Energy: 0.6023658840024201
Energy: 0.5759295484478024
Energy: 0.5181944284054801
Energy: 0.6236545665745354
Energy: 0.6750938969781224
Energy: 0.6236545665738642
Energy: 0.6156741614585577
Energy: 0.5851579765436979
Energy: 0.515842704431916
Energy: 0.5851579765436979
Energy: 0.5647756659218732
Energy: 0.580341179210073
Energy: 0.5888684898890012
Energy: 0.5803411792107441
Energy: 0.5687339191047147
Energy: 0.5761792547116527
Energy: 0.6396480047131708
Energy: 0.5761792547123237
Energy: 0.6193972189919064
Energy: 0.5822209120211588
Energy: 0.5167680098323505
Energy: 0.5822209120231722
Energy: 0.5537554505053682
Energy: 0.6610433826398361
Energy: 0.6998518472023305
Energy: 0.6610433826391648
Energy: 0.603492045482511
Energy: 0.5862643651553036
Energy: 0.6032572951494353
Energy: 0.5862643651553036
Energy: 0.6702076801920065
Energy: 0.6134062941659993
Energy: 0.5585565116653981
Energy: 0.6134062941666706
Energy: 0.5308317831514585
Energy: 0.6004411090501178
Energy: 0.6449205681294228
Energy: 0.6004411090501178

minimum gb energy = 0.515842704431916 eV
minimum distance =  2.51122888042989 Angstroms
sigma value = 53


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

Energy: 0.4815236345120496
Energy: 0.4817208150341399
Energy: 0.6854456181543355
Energy: 0.481720815035685
Energy: 0.5926870447091908
Energy: 0.5471773466777639
Energy: 0.49310118194164104
Energy: 0.547177346679309
Energy: 0.49281081172645336
Energy: 0.48163896049201677
Energy: 0.5967710520248591
Energy: 0.48163896049201677
Energy: 0.4928357985783075
Energy: 0.4817209284084462
Energy: 0.5723976308283467
Energy: 0.4817209284084462
Energy: 0.6103559206737762
Energy: 0.5470502041786359
Energy: 0.5225841630842537
Energy: 0.5470502041816913
Energy: 0.4815236345120496
Energy: 0.4817208150341399
Energy: 0.7083109648603496
Energy: 0.481720815035685
Energy: 0.5926870447061005
Energy: 0.5471773466777639
Energy: 0.5574066460930516
Energy: 0.5471773466777639
Energy: 0.49281081172645336
Energy: 0.48163896049047167
Energy: 0.5967710520248591
Energy: 0.48163896049047167
Energy: 0.4928357985783075
Energy: 0.4817209284084462
Energy: 0.5909849725722393
Energy: 0.4817209284099913
Energy: 0.6103559206737762
Energy: 0.5470502041786359
Energy: 0.5885051825989324
Energy: 0.5470502041816913
Energy: 0.4815236345120496
Energy: 0.4817208150341399
Energy: 0.7083109648603496
Energy: 0.481720815035685
Energy: 0.5926870447061005
Energy: 0.5471773466777639
Energy: 0.5974725891563277
Energy: 0.547177346679309
Energy: 0.4928108117279985
Energy: 0.48163896049201677
Energy: 0.5967710520248591
Energy: 0.48163896049201677

minimum gb energy = 0.4815236345120496 eV
minimum distance =  2.59760836106658 Angstroms
sigma value = 9


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

Energy: 0.537987650879586
Energy: 0.6911786649363526
Energy: 0.7359568298817707
Energy: 0.6911786649357807
Energy: 0.6693803228094248
Energy: 0.5663015766462516
Energy: 0.5467182657131116
Energy: 0.5663015766462516
Energy: 0.543897636662491
Energy: 0.5296739738724593
Energy: 0.5375558033507244
Energy: 0.5296739738730313
Energy: 0.6190076709298584
Energy: 0.6472111651615727
Energy: 0.5467721010368413
Energy: 0.6472111651627164
Energy: 0.6164185485579501
Energy: 0.5577857468735784
Energy: 0.5535743290849429
Energy: 0.5577857468741503
Energy: 0.5291870014943072
Energy: 0.5292106109519836
Energy: 0.6190216181575852
Energy: 0.5292106109525555
Energy: 0.7257208619084197
Energy: 0.5546257011996647
Energy: 0.5467377608336292
Energy: 0.5546257012013803
Energy: 0.5514911530354172
Energy: 0.6636860440414208
Energy: 0.6208735404282401
Energy: 0.6636860440419928
Energy: 0.5453139554971309
Energy: 0.6075991197693716
Energy: 0.534345345993605
Energy: 0.6075991197705154
Energy: 0.5453175832675342
Energy: 0.5647006095709531
Energy: 0.5476781628387668
Energy: 0.564700609571525
Energy: 0.5522647011694435
Energy: 0.6013757301910002
Energy: 0.7282737658562387
Energy: 0.6013757301910002
Energy: 0.6420948484414258
Energy: 0.6289631416729203
Energy: 0.5430885228326365
Energy: 0.6289631416729203
Energy: 0.5454728480992199
Energy: 0.6205852318535191
Energy: 0.6869196433815348
Energy: 0.6205852318535191
Energy: 0.6215243314007459
Energy: 0.6624897639905027
Energy: 0.5425459269549622
Energy: 0.6624897639910746
Energy: 0.5484114366175056
Energy: 0.6260795012389611
Energy: 0.629036930913157
Energy: 0.6260795012389611
Energy: 0.547109154518988
Energy: 0.6501124067582594
Energy: 0.6228915103287302
Energy: 0.6501124067605469
Energy: 0.5949640424342082
Energy: 0.6249398088806877
Energy: 0.5486901447682543
Energy: 0.6249398088806877
Energy: 0.5535021907340276
Energy: 0.554463903170808
Energy: 0.6285450106631398
Energy: 0.5544639031713797
Energy: 0.6380442718443452
Energy: 0.620410106648973
Energy: 0.5308933496438994
Energy: 0.620410106648973
Energy: 0.5425416623337106
Energy: 0.5747004574326574
Energy: 0.6092050709036421
Energy: 0.5747004574326574
Energy: 0.6356764103858777
Energy: 0.6434976956728247
Energy: 0.6206584884409099
Energy: 0.6434976956722527
Energy: 0.5949958015583705
Energy: 0.6216789227805934
Energy: 0.5451676145175742
Energy: 0.6216789227811653
Energy: 0.5340426094111217
Energy: 0.6209316579378795
Energy: 0.5451390549839404
Energy: 0.6209316579367358
Energy: 0.7305206831900597
Energy: 0.6269927985370384
Energy: 0.5505630503040261
Energy: 0.6269927985336072
Energy: 0.5466519511063604
Energy: 0.6386033672736737
Energy: 0.715838181997769
Energy: 0.638603367273102
Energy: 0.5823059372112787
Energy: 0.5700557967889899
Energy: 0.5441684225020427
Energy: 0.570055796788418
Energy: 0.6321306973019427
Energy: 0.6352121999805865
Energy: 0.6180637346530198
Energy: 0.6352121999800145
Energy: 0.5451909391466551
Energy: 0.6625287596167746
Energy: 0.6185117381488349
Energy: 0.6625287596162026
Energy: 0.5730540861422627
Energy: 0.5293231008131103
Energy: 0.543796242755208
Energy: 0.5293231008136822
Energy: 0.5463894075320703
Energy: 0.6385826808670543
Energy: 0.6877801587404853
Energy: 0.6385826808670543
Energy: 0.6901825115897453
Energy: 0.6401547840359388
Energy: 0.5500329559000225
Energy: 0.640154784035367
Energy: 0.5298998541961719
Energy: 0.5556873490283656
Energy: 0.5444473753840969
Energy: 0.5556873490289375
Energy: 0.5304534255487375
Energy: 0.602652646952312
Energy: 0.5475983631572745
Energy: 0.6026526469517401
Energy: 0.6253642024675633
Energy: 0.6435556249536261
Energy: 0.6192801666457709
Energy: 0.6435556249530543
Energy: 0.553144168276828
Energy: 0.6407374554898929
Energy: 0.7225084537088464
Energy: 0.640737455489321

minimum gb energy = 0.5291870014943072 eV
minimum distance =  2.54371958154227 Angstroms
sigma value = 73


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

Energy: 0.5727735649069694
Energy: 0.5736199693439594
Energy: 0.7384736854287903
Energy: 0.5736199693439594
Energy: 0.6170942992192369
Energy: 0.5779960125551157
Energy: 0.5571841574446527
Energy: 0.577996012556023
Energy: 0.5565151451040125
Energy: 0.5603578276431608
Energy: 0.5339048922043501
Energy: 0.5603578276422535
Energy: 0.5522725744148093
Energy: 0.5538789693780876
Energy: 0.5805458635281806
Energy: 0.5538789693762729
Energy: 0.5835541574320122
Energy: 0.5841715729860607
Energy: 0.5622202834590689
Energy: 0.584171572986968
Energy: 0.5666127197691531
Energy: 0.5442355859373812
Energy: 0.6693107289429487
Energy: 0.5442355859364739
Energy: 0.7215297194175124
Energy: 0.6177661086091083
Energy: 0.5569904179704591
Energy: 0.617766108608201
Energy: 0.5473861591698158
Energy: 0.5267067179279878
Energy: 0.687043574087277
Energy: 0.5267067179288951
Energy: 0.6957830423863796
Energy: 0.5271220748004409
Energy: 0.5266568046621554
Energy: 0.5271220747995337
Energy: 0.5559456028736959
Energy: 0.6144268833835903
Energy: 0.5585077127713554
Energy: 0.614426883382683
Energy: 0.5469224226058146
Energy: 0.5606261726923002
Energy: 0.6655503827103794
Energy: 0.5606261726932076
Energy: 0.6239135930832465
Energy: 0.5532570060007324
Energy: 0.5521622660581359
Energy: 0.5532570060016397
Energy: 0.5535660752931557
Energy: 0.5633786946827767
Energy: 0.6359470990966474
Energy: 0.5633786946836841
Energy: 0.6904780018822133
Energy: 0.6084813584755717
Energy: 0.5660186493272825
Energy: 0.6084813584746644
Energy: 0.5323605681361019
Energy: 0.6448201580129685
Energy: 0.6689566533191197
Energy: 0.6448201580129685
Energy: 0.659682989136972
Energy: 0.581696929725558
Energy: 0.5474280003660603
Energy: 0.5816969297246507
Energy: 0.5734997879795724
Energy: 0.5734464407649893
Energy: 0.555857604664012
Energy: 0.5734464407649893
Energy: 0.5735268648097225
Energy: 0.573911047117165
Energy: 0.5682126352758522
Energy: 0.573911047117165
Energy: 0.5467114313653492
Energy: 0.5270205487921713
Energy: 0.5460257315683665
Energy: 0.5270205487903565
Energy: 0.5559464601608061
Energy: 0.6047533362343434
Energy: 0.7310354901888163
Energy: 0.6047533362352508
Energy: 0.6802213908501293
Energy: 0.5643205649841478
Energy: 0.5653856676822586
Energy: 0.5643205649841478
Energy: 0.5806084869336892
Energy: 0.5838647948329446
Energy: 0.6165570175132734
Energy: 0.5838647948356666

minimum gb energy = 0.5266568046621554 eV
minimum distance =  2.56439658405185 Angstroms
sigma value = 7


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

Energy: 0.5453380537699799
Energy: 0.546128837138062
Energy: 0.7390237852338215
Energy: 0.546128837138062
Energy: 0.709223367510345
Energy: 0.5718724941648566
Energy: 0.5608975512618871
Energy: 0.5718724941674228
Energy: 0.5471252185822622
Energy: 0.5464122295410128
Energy: 0.5661610713569523
Energy: 0.5464122295416542
Energy: 0.5881454837903144
Energy: 0.5796338412090866
Energy: 0.5723018227544421
Energy: 0.5796338412122944
Energy: 0.5549728604822832
Energy: 0.5778770478220504
Energy: 0.5488015976797633
Energy: 0.5778770478214088
Energy: 0.5489236060583248
Energy: 0.5854967643807605
Energy: 0.6924731642215529
Energy: 0.5854967643807605
Energy: 0.6553533899213024
Energy: 0.649092585270769
Energy: 0.5797427799885092
Energy: 0.649092585270769
Energy: 0.5490519630248419
Energy: 0.5464963406531406
Energy: 0.7357090847754941
Energy: 0.5464963406543946
Energy: 0.6246845929718909
Energy: 0.5727146045829785
Energy: 0.5571079295953602
Energy: 0.5727146045816954
Energy: 0.5540725227493065
Energy: 0.5816176097664363
Energy: 0.634368891238316
Energy: 0.5816176097722106
Energy: 0.5723154900250605
Energy: 0.5849598199754976
Energy: 0.5977245535424467
Energy: 0.584959819979347
Energy: 0.547314910088756
Energy: 0.5779655549482047
Energy: 0.5747925487792287
Energy: 0.5779655549469216
Energy: 0.5464009240786393
Energy: 0.5464735421703389
Energy: 0.5920603803756322
Energy: 0.5464735421639523
Energy: 0.5661921830751048
Energy: 0.5429513809522796
Energy: 0.5902923700736545
Energy: 0.5429513809465054
Energy: 0.5526241388685885
Energy: 0.6437664040593385
Energy: 0.6716352757299077
Energy: 0.6437664040612632
Energy: 0.7493009634816399
Energy: 0.5429398230085521
Energy: 0.5549183682077422
Energy: 0.5429398230085521
Energy: 0.5671699929216265
Energy: 0.5907600138569471
Energy: 0.6407291749978177
Energy: 0.5907600138582302
Energy: 0.5470120884057229
Energy: 0.6345045780001974
Energy: 0.5736067477032456
Energy: 0.6345045779957064
Energy: 0.5671068354667742
Energy: 0.5856974084049125
Energy: 0.5971548560691046
Energy: 0.5856974084029878
Energy: 0.5539428722777835
Energy: 0.5763723358313904
Energy: 0.5756725443205613
Energy: 0.576372335832032
Energy: 0.5879918204526587
Energy: 0.5601181212025124
Energy: 0.5571895174941337
Energy: 0.5601181212037956
Energy: 0.5546150780008864
Energy: 0.6347431677311025
Energy: 0.6285652515122916
Energy: 0.6347431677311025
Energy: 0.6909843994695949
Energy: 0.5742613930852751
Energy: 0.5653933205491875
Energy: 0.5742613930846335
Energy: 0.5479907493393922
Energy: 0.5462809077980703
Energy: 0.6957080935329749
Energy: 0.5462809077955038
Energy: 0.5968870320461537
Energy: 0.5766248566244299
Energy: 0.5727833238558798
Energy: 0.5766248566237883
Energy: 0.5881461398399671
Energy: 0.584894318734324
Energy: 0.5714934046934012
Energy: 0.5848943187298329
Energy: 0.5556626393704858
Energy: 0.5829905119450655
Energy: 0.6035174662322205
Energy: 0.5829905119457071
Energy: 0.5877499884196192
Energy: 0.5905321952737911
Energy: 0.5731823408510732
Energy: 0.590532195275716
Energy: 0.5465380994174333
Energy: 0.5464581794267472
Energy: 0.6576360319011503
Energy: 0.546458179429955
Energy: 0.6409105931458048
Energy: 0.5737562600233935
Energy: 0.5608596204691618
Energy: 0.5737562600285262
Energy: 0.5464078483938869
Energy: 0.5466747027261213
Energy: 0.6721566264507717
Energy: 0.5466747027280461

minimum gb energy = 0.5429398230085521 eV
minimum distance =  2.56009738096421 Angstroms
sigma value = 29


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

Energy: 0.5234691948300422
Energy: 0.5376880780560146
Energy: 0.5930512228902756
Energy: 0.5376880780560146
Energy: 0.5984044164580518
Energy: 0.5243423226886156
Energy: 0.5685832443115492
Energy: 0.5243422964353353
Energy: 0.5434362635534806
Energy: 0.5429430169816387
Energy: 0.5441433256255612
Energy: 0.5429430169818622
Energy: 0.5234092490642523
Energy: 0.5101955873268806
Energy: 0.5685578741917549
Energy: 0.5101955873264585
Energy: 0.5236681658225008
Energy: 0.5385843431939065
Energy: 0.6303621504552857
Energy: 0.5385843431925904
Energy: 0.5628516222307631
Energy: 0.5421570996675737
Energy: 0.5628602008897227
Energy: 0.5421570996671518
Energy: 0.5437318535091314
Energy: 0.5381942155022638
Energy: 0.5236270985432864
Energy: 0.5381942155022638
Energy: 0.5685715280782776
Energy: 0.5102769560977197
Energy: 0.5255248102361553
Energy: 0.5102769559140439
Energy: 0.5442240995833625
Energy: 0.5429535520848794
Energy: 0.6304011424063061
Energy: 0.5429535520837868

minimum gb energy = 0.5101955873264585 eV
minimum distance =  2.61581015113693 Angstroms
sigma value = 5


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

Energy: 0.5144823993524121
Energy: 0.5282747165993306
Energy: 0.6390069362795426
Energy: 0.5282747165999366
Energy: 0.602741208681649
Energy: 0.5465963584976874
Energy: 0.5247614742632138
Energy: 0.5465963584988995
Energy: 0.5068513480971165
Energy: 0.5274951512434057
Energy: 0.6275012375844331
Energy: 0.5274951512434057
Energy: 0.5234892701543752
Energy: 0.54373949086763
Energy: 0.5074663450571479
Energy: 0.5437394908664178
Energy: 0.5078886705022022
Energy: 0.5466068409618589
Energy: 0.5988812451938424
Energy: 0.5466068409612528
Energy: 0.5666396006671318
Energy: 0.5806110661963046
Energy: 0.5058509225589132
Energy: 0.5806110661950926
Energy: 0.5063478791214571
Energy: 0.5444872410786757
Energy: 0.5033955277130066
Energy: 0.5444872410774636
Energy: 0.5050113990918561
Energy: 0.5803854277966
Energy: 0.5088547055941207
Energy: 0.5803854277959939
Energy: 0.5086661856099555
Energy: 0.5462152516229521
Energy: 0.5178267281374606
Energy: 0.5462152516235583
Energy: 0.5060757200017417
Energy: 0.5445873310948262
Energy: 0.5076840157223425
Energy: 0.544587331095432
Energy: 0.5272344722021775
Energy: 0.5808581051185648
Energy: 0.5074766522224599
Energy: 0.5808581051185648
Energy: 0.5202677477032724
Energy: 0.5554458955100753
Energy: 0.5288629762398147
Energy: 0.5554458955100753
Energy: 0.5673285676900426
Energy: 0.5285595348974995
Energy: 0.5224129322282661
Energy: 0.5285595348962874
Energy: 0.514929213044527
Energy: 0.5290168432265194
Energy: 0.5722773091127157
Energy: 0.5290168432253074
Energy: 0.6402520494685026
Energy: 0.545295130832319
Energy: 0.5076377803935777
Energy: 0.5452951308317129
Energy: 0.5062809306123786
Energy: 0.5271770835659552
Energy: 0.5661303593851423
Energy: 0.5271770835659552
Energy: 0.5998107491265174
Energy: 0.5173699302481635
Energy: 0.5165877646129267
Energy: 0.5173699302475574
Energy: 0.5082088762996052
Energy: 0.5283900061597808
Energy: 0.6412376057912987
Energy: 0.5283900061597808
Energy: 0.5030229172792489
Energy: 0.545635665344284
Energy: 0.5028034805307063
Energy: 0.545635665344284
Energy: 0.5083894078137767
Energy: 0.6143534622200002
Energy: 0.5151839250817778
Energy: 0.6143534622200002
Energy: 0.5148132438257595
Energy: 0.5431814479325091
Energy: 0.5096333563459544
Energy: 0.5431814479325091
Energy: 0.525198354879032
Energy: 0.5446642889986577
Energy: 0.503738937508931
Energy: 0.5446642889974457
Energy: 0.5096641068985922
Energy: 0.5290083242766502
Energy: 0.5076677700671146
Energy: 0.5290083242766502
Energy: 0.5280336060527243
Energy: 0.5268837477909181
Energy: 0.5077456652919691
Energy: 0.526883747791524
Energy: 0.5331136682908166
Energy: 0.5202404707861243
Energy: 0.5094137271466341
Energy: 0.5202404707855184
Energy: 0.5208279974757133
Energy: 0.5288720310082966
Energy: 0.5087385281337321
Energy: 0.5288720310071121
Energy: 0.5076229162561412
Energy: 0.5415551499707472
Energy: 0.5169055912028798
Energy: 0.541555149970141
Energy: 0.5820694620012882
Energy: 0.5475620310276067
Energy: 0.506232558769993
Energy: 0.5475620310282128
Energy: 0.5129957119744853
Energy: 0.5079872376942219
Energy: 0.7117191172979282
Energy: 0.5079872376930098
Energy: 0.6264655579844004
Energy: 0.528181259124764
Energy: 0.5081309588610322
Energy: 0.528181259124764
Energy: 0.5054386665061255
Energy: 0.5154232122932533
Energy: 0.6176952625414729
Energy: 0.5154232122932533
Energy: 0.6030706724302195
Energy: 0.5589884266170403
Energy: 0.506838064220824
Energy: 0.5589884266176464
Energy: 0.5080066277841232
Energy: 0.5503205353110443
Energy: 0.515718034436203
Energy: 0.5503205353122563

minimum gb energy = 0.5028034805307063 eV
minimum distance =  2.55707464131574 Angstroms
sigma value = 1


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

Energy: 0.5023920795791076
Energy: 0.5028881533982672
Energy: 0.6257222836186105
Energy: 0.5028881533991051
Energy: 0.5289491614572781
Energy: 0.5150016566599964
Energy: 0.4877466924301849
Energy: 0.5150016566616723
Energy: 0.47940848367053657
Energy: 0.5033307618617289
Energy: 0.706787949049758
Energy: 0.5033307618600531
Energy: 0.5290209769165608
Energy: 0.5283826699764641
Energy: 0.4795156490440144
Energy: 0.5283826699773021
Energy: 0.4793806112337472
Energy: 0.5431767620259924
Energy: 0.5941557992555404
Energy: 0.5431767620276683
Energy: 0.47974051938025436
Energy: 0.5029524356166071
Energy: 0.47957531419918487
Energy: 0.5029524356166071
Energy: 0.47943758015715554
Energy: 0.5433427732400165
Energy: 0.4887537928402896
Energy: 0.5433427732391786
Energy: 0.4796175645298426
Energy: 0.5770942976783581
Energy: 0.494362540876019
Energy: 0.5770942976808718
Energy: 0.5026670862540729
Energy: 0.49640321689838623
Energy: 0.5092726700916387
Energy: 0.49640321689838623
Energy: 0.502618069255767
Energy: 0.49626708964769145
Energy: 0.4949563704810568
Energy: 0.49626708964852934
Energy: 0.47988586680054424
Energy: 0.5769482496261283
Energy: 0.5187987499404982
Energy: 0.5769482496286422
Energy: 0.4794372496816077
Energy: 0.5434358047569865
Energy: 0.4881066942644178
Energy: 0.5434358047569865
Energy: 0.4799517926220501
Energy: 0.5030332156633227
Energy: 0.4795658204875842
Energy: 0.5030332156633227
Energy: 0.47946581164472296
Energy: 0.5429653644949708
Energy: 0.5027906590285801
Energy: 0.5429653644949708
Energy: 0.5291154195760186
Energy: 0.5283659229925092
Energy: 0.47963935053860807
Energy: 0.5283659229933472
Energy: 0.4793127422808013
Energy: 0.5030581147749447
Energy: 0.5533806177602725
Energy: 0.5030581147757825
Energy: 0.529029884541999
Energy: 0.5151442276668134
Energy: 0.48772832329961113
Energy: 0.5151442276659756
Energy: 0.5023920795791076
Energy: 0.5028881533982672
Energy: 0.6462271372590145
Energy: 0.5028881533991051
Energy: 0.5289491614564402
Energy: 0.5150016566608344
Energy: 0.4877466924301849
Energy: 0.5150016566616723
Energy: 0.47940848367053657
Energy: 0.503330761860891
Energy: 0.706787949049758
Energy: 0.503330761860891
Energy: 0.5290209769182367
Energy: 0.5283826699764641
Energy: 0.4795156490440144
Energy: 0.5283826699773021
Energy: 0.4793806112329283
Energy: 0.5431767620259924
Energy: 0.5941557992547023
Energy: 0.5431767620268303
Energy: 0.4797405193785784
Energy: 0.5029524356157691
Energy: 0.479575314198347
Energy: 0.5029524356166071
Energy: 0.47943758015715554
Energy: 0.5433427732400165
Energy: 0.4887537928452983
Energy: 0.5433427732391786

minimum gb energy = 0.4793127422808013 eV
minimum distance =  2.57476790826775 Angstroms
sigma value = 17


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

Energy: 0.5035787357946994
Energy: 0.5039499238607601
Energy: 0.7082392239555909
Energy: 0.5039499238612779
Energy: 0.5740224365127327
Energy: 0.4971983418257376
Energy: 0.4893418802299262
Energy: 0.4971983418257376
Energy: 0.48652748636525733
Energy: 0.49955331960827853
Energy: 0.6105257854021716
Energy: 0.4995533196067249
Energy: 0.5464169150186847
Energy: 0.5862499742960899
Energy: 0.48626749953167253
Energy: 0.5862499742966079
Energy: 0.49009457559721126
Energy: 0.5310400008863816
Energy: 0.6240615570583464
Energy: 0.5310400008858636
Energy: 0.5036583716574085
Energy: 0.5936184094928364
Energy: 0.49142068947073636
Energy: 0.5936184094928364
Energy: 0.4990929663433035
Energy: 0.5237509945202738
Energy: 0.5000180377607655
Energy: 0.5237509945187201
Energy: 0.49901020274719926
Energy: 0.5994453436802522
Energy: 0.4878049372405066
Energy: 0.5994453436802522
Energy: 0.5065265802155487
Energy: 0.5968348274251916
Energy: 0.5198640345714876
Energy: 0.5968348274277812
Energy: 0.508274500586978
Energy: 0.5978308226096113
Energy: 0.49342122479117273
Energy: 0.5978308226090933
Energy: 0.48954521318101735
Energy: 0.5889630338833072
Energy: 0.49093540752565096
Energy: 0.5889630338822713
Energy: 0.48436290073039334
Energy: 0.517779827003981
Energy: 0.4818181121913933
Energy: 0.5177798270044989
Energy: 0.5016165653799826
Energy: 0.5937008793377938
Energy: 0.4902164275340322
Energy: 0.5937008793388298
Energy: 0.4947809081568105
Energy: 0.5302920857874156
Energy: 0.5042259166832437
Energy: 0.5302920857863798
Energy: 0.49087176017964534
Energy: 0.588929388192971
Energy: 0.50907540269867
Energy: 0.5889293881945248
Energy: 0.4910617042882099
Energy: 0.49997583081941344
Energy: 0.6224855502102739
Energy: 0.49997583081941344
Energy: 0.5143055171353547
Energy: 0.588604497488534
Energy: 0.4901064506396474
Energy: 0.5886044974874981
Energy: 0.48337604512169924
Energy: 0.5045108891009916
Energy: 0.5182723670707866
Energy: 0.5045108891025453
Energy: 0.5656378022630952
Energy: 0.5198605980295644
Energy: 0.48912972989804293
Energy: 0.5198605980378043
Energy: 0.48841543629611767
Energy: 0.4999230353042239
Energy: 0.6065948381293035
Energy: 0.499923035303706
Energy: 0.6652214249149208
Energy: 0.49324371894349905
Energy: 0.4975413464235283
Energy: 0.49324371893987357
Energy: 0.4978878266130573
Energy: 0.5044605028422274
Energy: 0.5887913705130771
Energy: 0.5044605028427454
Energy: 0.5585197816794124
Energy: 0.5907857674506266
Energy: 0.4896805685606641
Energy: 0.5907857674506266
Energy: 0.48913308427686397
Energy: 0.5247263394512293
Energy: 0.5726854023307275
Energy: 0.5247263394491575
Energy: 0.5357660743244136
Energy: 0.5548158370701639
Energy: 0.48461137753746286
Energy: 0.5548158370691281
Energy: 0.49145755870623475
Energy: 0.5309205731820996
Energy: 0.5140282436845186
Energy: 0.5309205731810638
Energy: 0.5642704040773452
Energy: 0.5962581921874571
Energy: 0.4920793463858698
Energy: 0.596258192187975
Energy: 0.5118498662582326
Energy: 0.5891225605255621
Energy: 0.48922732788416323
Energy: 0.5891225605291877
Energy: 0.5041227658930881
Energy: 0.5300405733661293
Energy: 0.4969414216472338
Energy: 0.5300405733661293
Energy: 0.49126153460783106
Energy: 0.5938876025236051
Energy: 0.5283545847667347
Energy: 0.5938876025251588
Energy: 0.48864917994575763
Energy: 0.5293442262376775
Energy: 0.48392961280325536
Energy: 0.5293442262387135
Energy: 0.4890306911920369
Energy: 0.5890833386643193
Energy: 0.489619176865841
Energy: 0.5890833386632836
Energy: 0.49201687382230724
Energy: 0.5987336719423141
Energy: 0.5763705572013138
Energy: 0.5987336719433499
Energy: 0.524889671596854
Energy: 0.5961489129208644
Energy: 0.4949789672180336
Energy: 0.5961489129213822
Energy: 0.48719156548990883
Energy: 0.5047491522126171
Energy: 0.514120167970517
Energy: 0.504749152213653
Energy: 0.5240304712195019
Energy: 0.5245685316317171
Energy: 0.4998471000230524
Energy: 0.5245685316311992
Energy: 0.4896327498061305
Energy: 0.5956153624156699
Energy: 0.5049804845048818
Energy: 0.5956153624182596
Energy: 0.6285412150647911
Energy: 0.5317605165124611
Energy: 0.4907013221762046
Energy: 0.5317605165103895

minimum gb energy = 0.4818181121913933 eV
minimum distance =  2.56238615414735 Angstroms
sigma value = 89


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

Energy: 0.44027203370927814
Energy: 0.44052008471752885
Energy: 0.5562889264107216
Energy: 0.44052008471752885
Energy: 0.440895111020922
Energy: 0.4536235690386123
Energy: 0.45045477205561224
Energy: 0.4536235690386123
Energy: 0.44874726712572877
Energy: 0.5140056585572523
Energy: 0.788170325968876
Energy: 0.5140056585572523
Energy: 0.4622648554364064
Energy: 0.45358098280738
Energy: 0.4505284483512472
Energy: 0.45358098280738
Energy: 0.4487881942340084
Energy: 0.4807078247710709
Energy: 0.7455387543303951
Energy: 0.4807078247710709
Energy: 0.4488559947636317
Energy: 0.4407262365633587
Energy: 0.44236952140034946
Energy: 0.4407262365633587
Energy: 0.4489558981178688
Energy: 0.5157950303037955
Energy: 0.4407014942140832
Energy: 0.5157950303037955
Energy: 0.46060607424058087
Energy: 0.514052858768526
Energy: 0.4504664018501972
Energy: 0.514052858768526
Energy: 0.44897102220979546
Energy: 0.48077098531982576
Energy: 0.4455190330185285
Energy: 0.48077098531982576
Energy: 0.4536461116367254
Energy: 0.47895982747486865
Energy: 0.44889845999981
Energy: 0.4789598274721583
Energy: 0.4402806497490206
Energy: 0.45366836829445545
Energy: 0.44872831481751047
Energy: 0.45366836829445545
Energy: 0.44045554832715345
Energy: 0.5138395763277659
Energy: 0.450465829443904
Energy: 0.5138395763277659
Energy: 0.4493656148439793
Energy: 0.4406710423254959
Energy: 0.4624327011269099
Energy: 0.4406710423254959
Energy: 0.4489657605178216
Energy: 0.47898542032924574
Energy: 0.44899383784193897
Energy: 0.47898542032924574
Energy: 0.46852665545238453
Energy: 0.4414519908835373
Energy: 0.44880008855196696
Energy: 0.4414519908835373

minimum gb energy = 0.44027203370927814 eV
minimum distance =  2.59339090962484 Angstroms
sigma value = 13


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

Energy: 0.45180956932004274
Energy: 0.4350970239374111
Energy: 0.7073044885359766
Energy: 0.43509702393684313
Energy: 0.525651382120269
Energy: 0.44490986440347935
Energy: 0.4350835872799378
Energy: 0.44490986439950336
Energy: 0.43531647610181956
Energy: 0.43546424123811917
Energy: 0.7092462607773855
Energy: 0.4354642412409592
Energy: 0.4355690012750517
Energy: 0.44490905296992034
Energy: 0.4325028797308104
Energy: 0.44490905296878436
Energy: 0.4419145073727355
Energy: 0.4652216078125133
Energy: 0.4769852369487119
Energy: 0.4652216078113773
Energy: 0.4416660393288555
Energy: 0.44658341046366656
Energy: 0.44279651436632583
Energy: 0.44658341046309863
Energy: 0.44188928678078815
Energy: 0.4463068078969319
Energy: 0.5791715499849913
Energy: 0.4463068079003399
Energy: 0.4366788757562207
Energy: 0.4452547322980839
Energy: 0.4428104711946596
Energy: 0.44525473229694784
Energy: 0.44162351997036453
Energy: 0.46298171340277455
Energy: 0.5177191042254373
Energy: 0.46298171340561456
Energy: 0.52404521542705
Energy: 0.4729002896028872
Energy: 0.4323278931211174
Energy: 0.47290028959777525
Energy: 0.44116271941903146
Energy: 0.47376711096452584
Energy: 0.45310513919528245
Energy: 0.4737671109650938
Energy: 0.5794462751451157
Energy: 0.4729250489412854
Energy: 0.43689912121766794
Energy: 0.4729250489412854
Energy: 0.4587996099181485
Energy: 0.44302793888791325
Energy: 0.4419596893129937
Energy: 0.4430279388907532
Energy: 0.6004147186658108
Energy: 0.4731647576433123
Energy: 0.4366280031920854
Energy: 0.47316475764160826
Energy: 0.4414984773810057
Energy: 0.4346801288662113
Energy: 0.442663221181328
Energy: 0.43468012886109936
Energy: 0.4372062675441652
Energy: 0.4732529663045761
Energy: 0.4310804753619668
Energy: 0.47325296630514413
Energy: 0.44496366613625504
Energy: 0.46155265132219353
Energy: 0.4310218954686768
Energy: 0.46155265132446555
Energy: 0.4525869447297712
Energy: 0.46174431548397904
Energy: 0.44135317576786726
Energy: 0.46174431548738704
Energy: 0.4447612962291495
Energy: 0.44564277201781033
Energy: 0.4417020448389039
Energy: 0.4456427720172423
Energy: 0.44483770505147785
Energy: 0.4456131483255092
Energy: 0.44135323276180183
Energy: 0.4456131483800113
Energy: 0.4526077505059024
Energy: 0.46196285168457035
Energy: 0.4416088856038332
Energy: 0.46196285168457035
Energy: 0.4449159715346236
Energy: 0.4614614761234996
Energy: 0.43121223611451603
Energy: 0.46146147612633953
Energy: 0.4370702692981862
Energy: 0.473615603226848
Energy: 0.43098400242711027
Energy: 0.47361560321889595
Energy: 0.4411880576273088
Energy: 0.4346245048434686
Energy: 0.4596795433745617
Energy: 0.43462450484630866
Energy: 0.6003103395625191
Energy: 0.47321128921602235
Energy: 0.4368641323663013
Energy: 0.47321128921659034
Energy: 0.4587076778061647
Energy: 0.44305115128017486
Energy: 0.4468621546575973
Energy: 0.4430511512875589
Energy: 0.5789528450759124
Energy: 0.47294760996511803
Energy: 0.4368494137636314
Energy: 0.472947609969094
Energy: 0.44135577858055564
Energy: 0.4737892157389141
Energy: 0.45378979099226213
Energy: 0.47378921573777805
Energy: 0.5239461442833765
Energy: 0.47287382772025766
Energy: 0.43238132439318905
Energy: 0.4728738277253696
Energy: 0.4417853371854288
Energy: 0.46323432355710287
Energy: 0.5901386067377387
Energy: 0.4632343235514487
Energy: 0.43619924701892837
Energy: 0.4453437717445854
Energy: 0.44279679735961736
Energy: 0.4453437717428814
Energy: 0.4416929187816606
Energy: 0.4460044836095596
Energy: 0.6491671253934266
Energy: 0.4460044836135098
Energy: 0.4399768715122311
Energy: 0.4463643451699177
Energy: 0.4428799949836932
Energy: 0.4463643451693497
Energy: 0.44180886955064036
Energy: 0.4652324840769755
Energy: 0.47425646884819744
Energy: 0.46523248408208745
Energy: 0.43570274327744773
Energy: 0.44494290578483026
Energy: 0.4323287963725033
Energy: 0.44494290578255824

minimum gb energy = 0.43098400242711027 eV
minimum distance =  2.59941298421992 Angstroms
sigma value = 37


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

Energy: 0.41425689859007947
Energy: 0.41452838758149724
Energy: 0.4731362580823392
Energy: 0.41452838758149724
Energy: 0.4602509352119913
Energy: 0.5509094974892055
Energy: 0.4007068989687065
Energy: 0.5509094974892055
Energy: 0.40286613877084204
Energy: 0.6777556808198993
Energy: 0.7460162314785724
Energy: 0.6777556808198993
Energy: 0.395357715287217
Energy: 0.5523172385537789
Energy: 0.4008016763972463
Energy: 0.5523172385528017
Energy: 0.39975453242583087
Energy: 0.41416076741937363
Energy: 0.39501460724257575
Energy: 0.41416076741839647
Energy: 0.4083771368369029
Energy: 0.550839349530707
Energy: 0.39699762123649524
Energy: 0.550839349530707
Energy: 0.41233935712336234
Energy: 0.6910955428244542
Energy: 0.5193103548476635
Energy: 0.6910955428244542
Energy: 0.39987771073144945
Energy: 0.4145940905765966
Energy: 0.4160223133987277
Energy: 0.4145940905765966
Energy: 0.3998007451053552
Energy: 0.5507253991066006
Energy: 0.5193476266031581
Energy: 0.5507253991056233
Energy: 0.5710656620486652
Energy: 0.5509162340050815
Energy: 0.3970140390735039
Energy: 0.5509162340050815
Energy: 0.41231215345589517
Energy: 0.6863695653118685
Energy: 0.39526502572601185
Energy: 0.6863695653128458
Energy: 0.5348041363294963
Energy: 0.4142967187313172
Energy: 0.4007804653955982
Energy: 0.4142967187313172
Energy: 0.3951773051868261
Energy: 0.5507921712551077
Energy: 0.3988343999274032
Energy: 0.5507921712551077
Energy: 0.5193273551534118
Energy: 0.6874036188309108
Energy: 0.4000082921633534
Energy: 0.6874036188309108
Energy: 0.41430616518720037
Energy: 0.4367828399089287
Energy: 0.39983261548514876
Energy: 0.4367828399089287
Energy: 0.4143535949872078
Energy: 0.5507268642516753
Energy: 0.40078206751888706
Energy: 0.5507268642506981
Energy: 0.39518026701070413
Energy: 0.45453461808056406
Energy: 0.4083448473594485
Energy: 0.4545346180815413
Energy: 0.39519048462476797
Energy: 0.6872757859329638
Energy: 0.3998586951036083
Energy: 0.6872757859329638
Energy: 0.40074806353161474
Energy: 0.41430189551465796
Energy: 0.39979126154316813
Energy: 0.41430189551465796
Energy: 0.399948819359104
Energy: 0.5507848209116419
Energy: 0.39517116916827216
Energy: 0.5507848209116419

minimum gb energy = 0.39501460724257575 eV
minimum distance =  2.57246041549334 Angstroms
sigma value = 25


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

Energy: 0.44842389537576194
Energy: 0.6120806986147015
Energy: 0.3703637743220855
Energy: 0.6120806986139382
Energy: 0.5921072822938241
Energy: 0.38800091757065786
Energy: 0.37609444646039114
Energy: 0.3880009175698947
Energy: 0.42324701966874095
Energy: 0.3801485034664477
Energy: 0.5028308717087865
Energy: 0.3801485034672107
Energy: 0.5096610798108715
Energy: 0.39233315568917315
Energy: 0.3783335174190055
Energy: 0.39233315569451477
Energy: 0.38234704735083597
Energy: 0.38326779339696054
Energy: 0.42100961969555933
Energy: 0.3832677934000128
Energy: 0.4149864149138689
Energy: 0.38034343261300385
Energy: 0.3841756297923582
Energy: 0.380343432605373
Energy: 0.37644754458270324
Energy: 0.3725714645687799
Energy: 0.586565367141576
Energy: 0.3725714645710692
Energy: 0.37259741332353374
Energy: 0.5549016481606797
Energy: 0.42420433977735467
Energy: 0.5549016481599165
Energy: 0.3759322951400301
Energy: 0.6099707218025824
Energy: 0.593996496625934
Energy: 0.6099707218002931
Energy: 0.3669783742630082
Energy: 0.3725045517819425
Energy: 0.3971214237497364
Energy: 0.37250455178346864
Energy: 0.3767174150767657
Energy: 0.3744288871765132
Energy: 0.5601570965089647
Energy: 0.37442888717269773
Energy: 0.5028361901620383
Energy: 0.4851040639006018
Energy: 0.424212876148411
Energy: 0.4851040639013649
Energy: 0.3792522420103016
Energy: 0.39293773023218176
Energy: 0.5095570619461288
Energy: 0.3929377302337079
Energy: 0.48173226371020206
Energy: 0.4976755972495319
Energy: 0.38395618320822644
Energy: 0.4976755972480057
Energy: 0.38353063134702337
Energy: 0.37417054471983774
Energy: 0.41468748056490345
Energy: 0.37417054472212696
Energy: 0.5270249969829754
Energy: 0.6234958605218655
Energy: 0.3755663001857568
Energy: 0.6234958605233917
Energy: 0.4268672992206204
Energy: 0.5107770985913895
Energy: 0.3672580006252704
Energy: 0.5107770985959335
Energy: 0.5266223222919191
Energy: 0.38435601191901997
Energy: 0.3767111882805145
Energy: 0.38435601190986296
Energy: 0.45160004877552445
Energy: 0.38253559697215744
Energy: 0.36699803616259163
Energy: 0.38253559698207756
Energy: 0.6021902191813119
Energy: 0.521515711748894
Energy: 0.37545982466152633
Energy: 0.5215157117496572
Energy: 0.4268979874041455
Energy: 0.48397447057510184
Energy: 0.3728051467970904
Energy: 0.48397447057510184
Energy: 0.42372839768141685
Energy: 0.5061034700853165
Energy: 0.38160669438058387
Energy: 0.5061034700883689
Energy: 0.3835189576367838
Energy: 0.49772046396708025
Energy: 0.48152978237837424
Energy: 0.49772046396631714
Energy: 0.4148370475155807
Energy: 0.6192411519274523
Energy: 0.38189223623625623
Energy: 0.6192411519312677
Energy: 0.37559202110667855
Energy: 0.5192397444100094
Energy: 0.5267644594478691
Energy: 0.5192397444100094
Energy: 0.3696325941728529
Energy: 0.5103496927230816
Energy: 0.42368541510549573
Energy: 0.5103496927223186

minimum gb energy = 0.3669783742630082 eV
minimum distance =  2.54655554385983 Angstroms
sigma value = 41


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

Energy: 0.5018567215984567
Energy: 0.35744680264592354
Energy: 0.6725143604100208
Energy: 0.357446802645298
Energy: 0.5666684127716531
Energy: 0.34790531364146077
Energy: 0.34451046854245754
Energy: 0.3479053136433376
Energy: 0.3547292571668515
Energy: 0.3433601160150821
Energy: 0.6724972393848506
Energy: 0.34336011601445643
Energy: 0.4943952008017342
Energy: 0.34792245404299404
Energy: 0.3444708321724279
Energy: 0.3479224540423685
Energy: 0.3415523147896703
Energy: 0.43767319987408043
Energy: 0.3374224299198152
Energy: 0.43767319987408043
Energy: 0.41552780015345886
Energy: 0.3479654058233804
Energy: 0.34443847664488453
Energy: 0.3479654058227548
Energy: 0.34394022986330874
Energy: 0.34777429918421765
Energy: 0.38003132185880867
Energy: 0.34777429918359204
Energy: 0.33751689750219727
Energy: 0.35497440277751796
Energy: 0.34219008731263123
Energy: 0.35497440277939474
Energy: 0.3459597096790304
Energy: 0.471823298985155
Energy: 0.5016679622269475
Energy: 0.471823298985155
Energy: 0.4155535783117123
Energy: 0.343244441270005
Energy: 0.35532403844760674
Energy: 0.343244441270005
Energy: 0.34392536003655033
Energy: 0.3478448039976903
Energy: 0.5673622763039019
Energy: 0.3478448039970647
Energy: 0.33978963154108227
Energy: 0.3567588132764177
Energy: 0.5023352865051117
Energy: 0.35675881327829445
Energy: 0.34626266235303826
Energy: 0.4710490044437717
Energy: 0.5669703893821348
Energy: 0.47104900444314607
Energy: 0.45193681680409875
Energy: 0.4696745688887478
Energy: 0.3554360322869159
Energy: 0.46967456888937337
Energy: 0.3439721056058943
Energy: 0.3479147296469234
Energy: 0.49884958826477815
Energy: 0.34791472964567216
Energy: 0.43641900952232715
Energy: 0.4284351554230067
Energy: 0.3421935190798413
Energy: 0.4284351554230067
Energy: 0.3461718090435628
Energy: 0.4702886842295066
Energy: 0.41566130362743253
Energy: 0.47028868422762976
Energy: 0.43266522476933567
Energy: 0.4700801012318955
Energy: 0.3444727311930204
Energy: 0.47008010123439786
Energy: 0.34397381005073696
Energy: 0.3549538067544551
Energy: 0.33737974363586964
Energy: 0.3549538067557063
Energy: 0.4286557468590554
Energy: 0.47168746698749087
Energy: 0.34846543802749297
Energy: 0.4716874669881165
Energy: 0.3571820585262437
Energy: 0.469342951980912
Energy: 0.3392258338324216
Energy: 0.469342951980912
Energy: 0.5669544055981688
Energy: 0.5786435935762883
Energy: 0.34467658257182193
Energy: 0.5786435935769139
Energy: 0.5036714244312965
Energy: 0.3554033416560366
Energy: 0.33965319824202717
Energy: 0.3554033416579134
Energy: 0.5026815740709456
Energy: 0.46900537100408235
Energy: 0.3482413739747124
Energy: 0.46900537100408235
Energy: 0.3572248039116086
Energy: 0.5579716301456746
Energy: 0.34403343665535396
Energy: 0.5579716301463001
Energy: 0.4965142827904685
Energy: 0.5785358245505025
Energy: 0.3444833262314815
Energy: 0.5785358245498768
Energy: 0.34398664419881686
Energy: 0.4279990632740496
Energy: 0.436303565774443
Energy: 0.4279990632746752
Energy: 0.3421168912489497
Energy: 0.5587586199146419
Energy: 0.3483174235499682
Energy: 0.5587586199140162
Energy: 0.34600394813225127
Energy: 0.5581462466464463
Energy: 0.43272590963942226
Energy: 0.5581462466470718
Energy: 0.3373918465261365
Energy: 0.5783831208551014
Energy: 0.346745119153493
Energy: 0.5783831208544756
Energy: 0.34393961092146225
Energy: 0.46909468249591657
Energy: 0.4286841841690803
Energy: 0.4690946824952909
Energy: 0.33943270659724845
Energy: 0.5590006331528095
Energy: 0.35984571464612825
Energy: 0.5590006331528095

minimum gb energy = 0.33737974363586964 eV
minimum distance =  2.51566561343818 Angstroms
sigma value = 15


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

Energy: 0.4594487847728135
Energy: 0.5260888790457693
Energy: 0.6709244363969062
Energy: 0.5260888790462992
Energy: 0.5716300454805806
Energy: 0.4301305168623181
Energy: 0.32772917292188875
Energy: 0.430130516864968
Energy: 0.3390388735002447
Energy: 0.3268024715684197
Energy: 0.645044886483062
Energy: 0.3268024715694796
Energy: 0.5098561837558457
Energy: 0.42949706488588707
Energy: 0.3276548297792972
Energy: 0.42949706488694706
Energy: 0.32577214428203555
Energy: 0.525135766716706
Energy: 0.3167687152448972
Energy: 0.5251357667161762
Energy: 0.44735365034017743
Energy: 0.42848564370300124
Energy: 0.3276282031904383
Energy: 0.42848564370247133
Energy: 0.3272743334787533
Energy: 0.33400969587942064
Energy: 0.3509971321290496
Energy: 0.3340096958751809
Energy: 0.3824209399455496
Energy: 0.33224258014836405
Energy: 0.3276461074137498
Energy: 0.33224258016320335
Energy: 0.3287754358299812
Energy: 0.5300941812438785
Energy: 0.4592118064410384
Energy: 0.5300941812444084
Energy: 0.3159153282579845
Energy: 0.42869791257614714
Energy: 0.3261946873843268
Energy: 0.42869791257614714
Energy: 0.32726371272324567
Energy: 0.4301462448471127
Energy: 0.5192810494432977
Energy: 0.43014624484605274
Energy: 0.37994883320191364
Energy: 0.32687503282068
Energy: 0.3393992770584969
Energy: 0.32687503282015
Energy: 0.32864904392177297
Energy: 0.5302939929086178
Energy: 0.5643244054763906
Energy: 0.5302939929102076
Energy: 0.3173380266552433
Energy: 0.5253900850174764
Energy: 0.4597419357423819
Energy: 0.5253900850169463
Energy: 0.32726447965738714
Energy: 0.42946150608187683
Energy: 0.5700153686323245
Energy: 0.42946150608081685
Energy: 0.41188630779770424
Energy: 0.32678924652954094
Energy: 0.3393978645412739
Energy: 0.3267892465306009
Energy: 0.32876741472582305
Energy: 0.5303862946130059
Energy: 0.509271119949761
Energy: 0.5303862946124759
Energy: 0.4015829436623497
Energy: 0.5234035909593816
Energy: 0.3261473513991162
Energy: 0.5234035909599116
Energy: 0.32730345335426825
Energy: 0.4289196718205895
Energy: 0.4507327555036592
Energy: 0.4289196718221794
Energy: 0.39858271151919894
Energy: 0.38936037620410807
Energy: 0.32763299156042375
Energy: 0.38936037620357805
Energy: 0.32866694512341305
Energy: 0.5212993489065605
Energy: 0.3826277120263588
Energy: 0.5212993489065605
Energy: 0.39415917994725774
Energy: 0.5279370308715803
Energy: 0.330428680109405
Energy: 0.5279370308726402
Energy: 0.3273134692254289
Energy: 0.42904772892673393
Energy: 0.3157275662720467
Energy: 0.42904772892567394
Energy: 0.5201239885205032
Energy: 0.4302192799099479
Energy: 0.3276769889504845
Energy: 0.43021927991047787
Energy: 0.34040938669501764
Energy: 0.5217311071532288
Energy: 0.3180675033032137
Energy: 0.5217311071532288
Energy: 0.5167167087550154
Energy: 0.5286109656197825
Energy: 0.33056799634393724
Energy: 0.5286109656197825
Energy: 0.4607420466538014
Energy: 0.5225937786198254
Energy: 0.3173305634439296
Energy: 0.5225937786192955
Energy: 0.577554234655798
Energy: 0.4296052819182636
Energy: 0.3277283489216781
Energy: 0.4296052819214434
Energy: 0.3405306138448651
Energy: 0.5419134041470335
Energy: 0.3204052719239186
Energy: 0.5419134041454436
Energy: 0.45065735265849044
Energy: 0.5286492086511069
Energy: 0.3305042835557442
Energy: 0.5286492086505769
Energy: 0.3273177530805974
Energy: 0.528521243096976
Energy: 0.40176001040940124
Energy: 0.528521243096976
Energy: 0.44645746717026263
Energy: 0.508467363443888
Energy: 0.3276813296778962
Energy: 0.5084673634454778
Energy: 0.32878390018303516
Energy: 0.5422123208573032
Energy: 0.39856938175252404
Energy: 0.5422123208573032
Energy: 0.318450886848924
Energy: 0.5203881627084305
Energy: 0.3305366440627687
Energy: 0.5203881627094904
Energy: 0.3208452424149143
Energy: 0.5286922909453475
Energy: 0.39398369027077323
Energy: 0.5286922909458773
Energy: 0.31560127424179335
Energy: 0.5082662075950516
Energy: 0.32920603318799685
Energy: 0.5082662075924017
Energy: 0.32878307016183705
Energy: 0.5420935127920046
Energy: 0.5203937271020468
Energy: 0.5420935127930645

minimum gb energy = 0.31560127424179335 eV
minimum distance =  2.57521814111998 Angstroms
sigma value = 85


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

Energy: 0.43403267920569466
Energy: 0.4928370330837658
Energy: 0.4124511416187687
Energy: 0.4928370330833062
Energy: 0.6175547788827936
Energy: 0.40810247110613446
Energy: 0.3014540581173907
Energy: 0.4081024711056748
Energy: 0.4148688314948932
Energy: 0.31845367757293
Energy: 0.41656545731212424
Energy: 0.31845367757201076
Energy: 0.5085484907875101
Energy: 0.40812215769023313
Energy: 0.3014605962291529
Energy: 0.4081221576897735
Energy: 0.31690258880626204
Energy: 0.30103642074710035
Energy: 0.28550523096190283
Energy: 0.30103642074756
Energy: 0.4555070745947359
Energy: 0.408210077112502
Energy: 0.3014142401574342
Energy: 0.4082100771120423
Energy: 0.29952510700724555
Energy: 0.37583257346314014
Energy: 0.3455764989135707
Energy: 0.37583257346314014
Energy: 0.3976964373923225
Energy: 0.4068242920528212
Energy: 0.30143158440715095
Energy: 0.4068242920528212
Energy: 0.30101713172719385
Energy: 0.308030015119033
Energy: 0.41128601581857493
Energy: 0.3080300151048048
Energy: 0.34310756402525616
Energy: 0.37628705519845823
Energy: 0.30001664828332836
Energy: 0.3762870551970793
Energy: 0.3025111845984924
Energy: 0.4079073584722559
Energy: 0.4628395160818741
Energy: 0.4079073584727156
Energy: 0.2856900812986876
Energy: 0.4074966068285922
Energy: 0.3173238280865651
Energy: 0.4074966068281326
Energy: 0.3011125442524546
Energy: 0.3080695036640552
Energy: 0.5157171210571804
Energy: 0.3080695036608377
Energy: 0.34058848194940966
Energy: 0.31832210728957155
Energy: 0.41529017952864716
Energy: 0.31832210728957155
Energy: 0.3024134209827533
Energy: 0.4080575398791822
Energy: 0.5571533201984583
Energy: 0.4080575398796419
Energy: 0.2871028020764427
Energy: 0.49253121323586657
Energy: 0.4343565789006813
Energy: 0.49253121323586657
Energy: 0.30111698816923294
Energy: 0.30799797189217587
Energy: 0.5572157573789862
Energy: 0.3079979718857408
Energy: 0.3701085928645733
Energy: 0.31815743909482863
Energy: 0.4153016967301835
Energy: 0.31815743909482863
Energy: 0.30229791729393646
Energy: 0.40804158227332654
Energy: 0.508186353928934
Energy: 0.4080415822737862
Energy: 0.36077164697728553
Energy: 0.4993043337270252
Energy: 0.31730038772576125
Energy: 0.4993043337270252
Energy: 0.3010802356905992
Energy: 0.30792787264878096
Energy: 0.45504726095292786
Energy: 0.3079278726483214
Energy: 0.358821182374782
Energy: 0.365500733102808
Energy: 0.2999774538284957
Energy: 0.36550073310418696
Energy: 0.302473638073004
Energy: 0.406616597846456
Energy: 0.39840467755025744
Energy: 0.4066165978459964
Energy: 0.35711333459260675
Energy: 0.5015474651405621
Energy: 0.30141698948197826
Energy: 0.5015474651405621
Energy: 0.30116445913411766
Energy: 0.31799596613604836
Energy: 0.34316683397244446
Energy: 0.31799596613604836
Energy: 0.46321964296220286
Energy: 0.40819831278830804
Energy: 0.30184510120777003
Energy: 0.40819831278876767
Energy: 0.31831882662010136
Energy: 0.4065483278756222
Energy: 0.28559221708920146
Energy: 0.4065483278751626
Energy: 0.46669126494179536
Energy: 0.5005651372145671
Energy: 0.30141176058315766
Energy: 0.5005651372154863
Energy: 0.4162238057699599
Energy: 0.3664662666607389
Energy: 0.2869929589591978
Energy: 0.3664662666593599
Energy: 0.5582285424197112
Energy: 0.4079238718539282
Energy: 0.3017578804813063
Energy: 0.40792387185346857
Energy: 0.4354287840172553
Energy: 0.48726641215723443
Energy: 0.2869887006043228
Energy: 0.487266412157694
Energy: 0.5179266294160542
Energy: 0.4981328920430938
Energy: 0.3015865198670672
Energy: 0.4981328920435535
Energy: 0.41631010500958837
Energy: 0.3170612084257622
Energy: 0.2889260828768224
Energy: 0.3170612084271411
Energy: 0.5079382032883577
Energy: 0.40794428511485153
Energy: 0.30193011508922096
Energy: 0.407944285113013
Energy: 0.3183672590815231
Energy: 0.4933278961933417
Energy: 0.3607341520018055
Energy: 0.4933278961933417
Energy: 0.40390901698774284
Energy: 0.49809528121574315
Energy: 0.3014345784496024
Energy: 0.4980952812162028
Energy: 0.30107497178128656
Energy: 0.3651434050362643
Energy: 0.3587163057195622
Energy: 0.3651434050344257
Energy: 0.398289625535209
Energy: 0.4065167040654552
Energy: 0.30201779026081405
Energy: 0.4065167040663744
Energy: 0.30245152708413126
Energy: 0.4932072697739097
Energy: 0.35710136474652654
Energy: 0.4932072697739097
Energy: 0.28928716401641363
Energy: 0.43099777793880123
Energy: 0.3029314470754542
Energy: 0.43099777793696264
Energy: 0.3012206893733996
Energy: 0.4068531940765726
Energy: 0.46374643923462544
Energy: 0.4068531940761129
Energy: 0.28556354190919214
Energy: 0.40643048296932516
Energy: 0.3170866731971379
Energy: 0.4064304829697848
Energy: 0.3022598899154426
Energy: 0.4931297719933484
Energy: 0.4671442749199937
Energy: 0.49312977199242913

minimum gb energy = 0.28550523096190283 eV
minimum distance =  2.59193021077966 Angstroms
sigma value = 113


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

Energy: 0.011705481549767572
Energy: 0.013305341909942831
Energy: 0.5873436140922833
Energy: 0.01330534191096363
Energy: 0.5873291919991829
Energy: 0.19919439891173282
Energy: 0.2002437618319733
Energy: 0.19919439891139912
Energy: 0.011705481549767572
Energy: 0.013305341909942831
Energy: 0.5873437773760006
Energy: 0.01330534191096363
Energy: 0.5873291919991829
Energy: 0.19919439891173282
Energy: 0.20024376183057951
Energy: 0.19919439891139912
Energy: 0.011705481549767572
Energy: 0.013305341909942831
Energy: 0.5873437755504999
Energy: 0.013305341910629905
Energy: 0.5873291919991829
Energy: 0.19919439891173282
Energy: 0.2002437618319733
Energy: 0.19919439891139912

minimum gb energy = 0.011705481549767572 eV
minimum distance =  2.83998505034623 Angstroms
sigma value = 1