Model name: model_name=MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049985826015473
cohesive_energy=3.3534000657025747
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.010336476607975646
Energy: 0.41538300196277406
Energy: 0.010336476608197745
Energy: 0.4153830019629962
Energy: 0.010336476608197745
Energy: 0.4153830019629962
Energy: 0.4153830019629962
Energy: 0.2709891437630166
Energy: 0.41538300196277406
Energy: 0.2709891437630166
Energy: 0.41538300196277406
Energy: 0.2709891437632665
Energy: 0.010336476608197745
Energy: 0.41538300196277406
Energy: 0.010336476608197745
Energy: 0.41538300196277406
Energy: 0.010336476608197745
Energy: 0.4153830019629962
Energy: 0.4153830019629962
Energy: 0.2709891437630166
Energy: 0.41538300196277406
Energy: 0.2709891437630166
Energy: 0.4153830019629962
Energy: 0.2709891437630166
Energy: 0.010336476608197745
Energy: 0.415383001963246
Energy: 0.010336476608197745
Energy: 0.4153830019629962
Energy: 0.010336476608197745
Energy: 0.41538300196277406
Energy: 0.415383001963246
Energy: 0.2709891437630166
Energy: 0.41538300196277406
Energy: 0.2709891437630166
Energy: 0.4153830019629962
Energy: 0.2709891437630166

minimum gb energy = 0.010336476607975646 eV
minimum distance =  2.82150293719356 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.6984678566427153
Energy: 0.6716017303441653
Energy: 0.6984678567443047
Energy: 0.6716017303537885
Energy: 0.6984678566270777
Energy: 0.6716017303441653
Energy: 0.7118555162884207
Energy: 0.5457183759068087
Energy: 0.7118555162878194
Energy: 0.5457183759080115
Energy: 0.7118555162878194
Energy: 0.5457183759080115
Energy: 0.662933319979491
Energy: 0.6851463804411774
Energy: 0.6629333199764839
Energy: 0.6851463494300688
Energy: 0.6629333199782881
Energy: 0.685147024724937
Energy: 0.7075872606520842
Energy: 0.5898332063537967
Energy: 0.7075872606514828
Energy: 0.5898328974083363
Energy: 0.7075872606520842
Energy: 0.5898330133399201
Energy: 0.6347533508269445
Energy: 0.674329016769384
Energy: 0.6347533508281474
Energy: 0.6743290164098571
Energy: 0.6347533508233631
Energy: 0.6743290168156677
Energy: 0.6507163515038682
Energy: 0.5911947648878483
Energy: 0.6507163514984552
Energy: 0.5911947646497859
Energy: 0.6507163515086798
Energy: 0.591194764256633
Energy: 0.6473412923393704
Energy: 0.6812470297985216
Energy: 0.6473412923393704
Energy: 0.6812470297991231
Energy: 0.6473412923393704
Energy: 0.6812470297985216
Energy: 0.6002744556361689
Energy: 0.6905478148920393
Energy: 0.6002744556361689
Energy: 0.6905478148872551
Energy: 0.6002744556373718
Energy: 0.6905478148902349
Energy: 0.6523476777859988
Energy: 0.6612137153210161
Energy: 0.6523476777859988
Energy: 0.6612137153222191
Energy: 0.6523476777859988
Energy: 0.6612137153216177
Energy: 0.5600945992964496
Energy: 0.7025589332126965
Energy: 0.5600945992964496
Energy: 0.7025589332114935
Energy: 0.5600945992964496
Energy: 0.7025589332120948
Energy: 0.6615136486807273
Energy: 0.5631413488671007
Energy: 0.6615136486296046
Energy: 0.5631413488652963
Energy: 0.6615136486741114
Energy: 0.5631413488671007
Energy: 0.5084816860804697
Energy: 0.7444384525220651
Energy: 0.5084816861478042
Energy: 0.7444384525220651
Energy: 0.5084816860858828
Energy: 0.7444384525226665
Energy: 0.7081317772787764
Energy: 0.5247343321665111
Energy: 0.708131775422939
Energy: 0.5247343395718177
Energy: 0.7081317763421369
Energy: 0.5247343372236163
Energy: 0.616080612185784
Energy: 0.6736814731170068
Energy: 0.6160805012848691
Energy: 0.6736814731206153
Energy: 0.6160807240437876
Energy: 0.6736814731188111
Energy: 0.688780511938631
Energy: 0.6019818590505547
Energy: 0.688780511938631
Energy: 0.6019818590523591
Energy: 0.688780511938631
Energy: 0.6019818590511562
Energy: 0.6991880021714617
Energy: 0.6686206132725903
Energy: 0.6991880021636431
Energy: 0.6686206132725903
Energy: 0.6991880021570271
Energy: 0.6686206132731918
Energy: 0.6497280643843122
Energy: 0.6296521292754542
Energy: 0.649728063482529
Energy: 0.6296521292754542
Energy: 0.649728063596776
Energy: 0.6296521292754542
Energy: 0.6604554385227356
Energy: 0.6213488433763513
Energy: 0.6604554396276975
Energy: 0.6213488433769528
Energy: 0.660455438142787
Energy: 0.6213488433769528
Energy: 0.6381544843301211
Energy: 0.6667846594129879
Energy: 0.6381544843295197
Energy: 0.6667846594094067
Energy: 0.6381544843295197
Energy: 0.666784659405798
Energy: 0.6685392441696822
Energy: 0.6777225621040943
Energy: 0.6685392441714866
Energy: 0.6777225615762451
Energy: 0.6685392441654722
Energy: 0.6777225621485737
Energy: 0.5687483774566994
Energy: 0.7256300216066581
Energy: 0.5687483774566994
Energy: 0.7256300216114697
Energy: 0.5687483774554966
Energy: 0.7256300216048538
Energy: 0.6524200785813231
Energy: 0.6944298741889445
Energy: 0.6524200785807215
Energy: 0.6944298741895459
Energy: 0.6524200785819244
Energy: 0.6944298741889445
Energy: 0.5461226935604028
Energy: 0.700160921732949
Energy: 0.5461226935592
Energy: 0.7001609217311446
Energy: 0.5461226935598013
Energy: 0.7001609217311446

minimum gb energy = 0.5084816860804697 eV
minimum distance =  2.56650842867531 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 0.6729268495443378
Energy: 0.6370783980087378
Energy: 0.6565260157523226
Energy: 0.6370783980090798
Energy: 0.6729268495439956
Energy: 0.6370783980077115
Energy: 0.7560251471940186
Energy: 0.6938920491136953
Energy: 0.7560251471936765
Energy: 0.6938920491133531
Energy: 0.7560251471940186
Energy: 0.6938920491140373
Energy: 0.5911871217196789
Energy: 0.6378678501097312
Energy: 0.5911871220192334
Energy: 0.637514024207381
Energy: 0.5911871227742463
Energy: 0.6405454789001804
Energy: 0.6639636256238035
Energy: 0.6756202412530782
Energy: 0.6639636256183299
Energy: 0.6756202412530782
Energy: 0.6639636256241456
Energy: 0.6756202412530782
Energy: 0.5867096857250279
Energy: 0.652787694972783
Energy: 0.5867096855653609
Energy: 0.6527551921843432
Energy: 0.5867096862670375
Energy: 0.6527888539632526
Energy: 0.6135617070521397
Energy: 0.5888486578571279
Energy: 0.6135617172873129
Energy: 0.5888486578571279
Energy: 0.6135617089444771
Energy: 0.5888486578571279
Energy: 0.7268933981820899
Energy: 0.6817489404769206
Energy: 0.7268933981820899
Energy: 0.6817489760257873
Energy: 0.7268933981824319
Energy: 0.6817489498726133
Energy: 0.571798210413184
Energy: 0.6702518911067855
Energy: 0.5717982104124998
Energy: 0.670251891114996
Energy: 0.5717982104152365
Energy: 0.6702518911098644
Energy: 0.708911635357036
Energy: 0.6124641247727052
Energy: 0.708911635363194
Energy: 0.6124641248961719
Energy: 0.7089116353546415
Energy: 0.6124641250196075
Energy: 0.5182043930569907
Energy: 0.6909486918384997
Energy: 0.5180965093212337
Energy: 0.6909486842794131
Energy: 0.5182043930569907
Energy: 0.6909486464778231
Energy: 0.7059963955682605
Energy: 0.5174514692227385
Energy: 0.7059963955682605
Energy: 0.5174514692230806
Energy: 0.7059963955658659
Energy: 0.5174514692227385
Energy: 0.5202838350951132
Energy: 0.7262451779761513
Energy: 0.5161742958479688
Energy: 0.7262451779761513
Energy: 0.5202838350954553
Energy: 0.7262451779737565
Energy: 0.6610721811080593
Energy: 0.5757127271530023
Energy: 0.6610721811087437
Energy: 0.5757127271526602
Energy: 0.6610721811077173
Energy: 0.5757127271530023
Energy: 0.6541671752246233
Energy: 0.6447254097905816
Energy: 0.6541671752239392
Energy: 0.6447254097912658
Energy: 0.6541671752249654
Energy: 0.6447254097892132
Energy: 0.6693467229445937
Energy: 0.6523642164881523
Energy: 0.6693467204162318
Energy: 0.6523642164799419
Energy: 0.6693467244778825
Energy: 0.652364216486784
Energy: 0.6578970333888443
Energy: 0.5707118556150216
Energy: 0.6578970333888443
Energy: 0.5707118556557313
Energy: 0.6578970333888443
Energy: 0.5707118556700685
Energy: 0.7054377502539736
Energy: 0.6438548111780804
Energy: 0.7054377502546578
Energy: 0.6438548111780804
Energy: 0.7054377502539736
Energy: 0.6438548111787645
Energy: 0.6502557347132307
Energy: 0.5758191347195402
Energy: 0.6502557346872623
Energy: 0.5758191347041457
Energy: 0.6502557347252041
Energy: 0.5758191347527238
Energy: 0.6761058237919404
Energy: 0.7025703356770794
Energy: 0.6761058238750396
Energy: 0.7025703357105739
Energy: 0.6761058236100369
Energy: 0.7025703356934689
Energy: 0.6394181383582841
Energy: 0.6580026720677703
Energy: 0.639418138357942
Energy: 0.6580026720684545
Energy: 0.6394181383582841
Energy: 0.6580026720677703
Energy: 0.558074059324263
Energy: 0.7235445716875978
Energy: 0.5580740593239208
Energy: 0.7235445716875978
Energy: 0.558074059324263
Energy: 0.7235445716875978
Energy: 0.6907264213361876
Energy: 0.6032196946084849
Energy: 0.6897182416994281
Energy: 0.6032196946084849
Energy: 0.6882566764525953
Energy: 0.6032196946095112
Energy: 0.5234126862722336
Energy: 0.7126121442063129
Energy: 0.5234248224600527
Energy: 0.7126122063624127
Energy: 0.5234126862718915
Energy: 0.7126120906525778
Energy: 0.7510664854149364
Energy: 0.7623719943830682
Energy: 0.7510664854142522
Energy: 0.7623719943830682
Energy: 0.7510664854149364
Energy: 0.7623719943827262
Energy: 0.5690753330082572
Energy: 0.7246475976765676
Energy: 0.5705395147423816
Energy: 0.724647597674515
Energy: 0.5690753324980629
Energy: 0.724647597674173
Energy: 0.6861404620407524
Energy: 0.7487083109574272
Energy: 0.6678283859343979
Energy: 0.7487083109581113
Energy: 0.6861404620407524
Energy: 0.7487083109598218
Energy: 0.6781594212626202
Energy: 0.681788652460936
Energy: 0.6693929444730695
Energy: 0.6817886524623045
Energy: 0.678159421258515
Energy: 0.6817886524510153
Energy: 0.6593215889837754
Energy: 0.6885126142957279
Energy: 0.6593215889841176
Energy: 0.6885126142950437
Energy: 0.6593215889848018
Energy: 0.6885126142964121
Energy: 0.6843992370076866
Energy: 0.5806734106056227
Energy: 0.684399241452675
Energy: 0.5806734106059649
Energy: 0.6843992383700189
Energy: 0.5806734106045964
Energy: 0.5198641926187194
Energy: 0.7141424093149848
Energy: 0.5198641926180352
Energy: 0.7141424092958273
Energy: 0.5198641926187194
Energy: 0.7141424093303794
Energy: 0.8035031533414058
Energy: 0.5351229564593041
Energy: 0.8035031533420899
Energy: 0.535122956718491
Energy: 0.8035031533410637
Energy: 0.535122957574392
Energy: 0.5745936107711113
Energy: 0.6595252869390311
Energy: 0.5745936109089151
Energy: 0.6595252871367023
Energy: 0.5745936106709074
Energy: 0.6595252868145693
Energy: 0.6416240271688618
Energy: 0.6578844087659151
Energy: 0.6416240271695461
Energy: 0.6578844087652309
Energy: 0.6416240271695461
Energy: 0.6578844087665993
Energy: 0.6569848719643818
Energy: 0.7136011304983032
Energy: 0.6569848719636975
Energy: 0.7136011304989875
Energy: 0.6569848719643818
Energy: 0.7136011304976191
Energy: 0.6367079812459183
Energy: 0.5717606058682241
Energy: 0.6367079785800946
Energy: 0.5717606058637767
Energy: 0.6367079747366099
Energy: 0.5717606058665136
Energy: 0.6891279281353608
Energy: 0.6683666887291433
Energy: 0.6891279272363864
Energy: 0.6683667658762172
Energy: 0.6891279335620495
Energy: 0.6683666975797786
Energy: 0.5859954386990468
Energy: 0.6077709732165816
Energy: 0.5751328545827726
Energy: 0.6077709734056691
Energy: 0.5859954387014416
Energy: 0.6077709732606813
Energy: 0.6616748319260854
Energy: 0.6123626560154196
Energy: 0.6616748320108949
Energy: 0.6123626560048144
Energy: 0.6616748320444206
Energy: 0.6123626560137091
Energy: 0.6655480974179732
Energy: 0.6446759285873607
Energy: 0.6655480974176311
Energy: 0.6446759285897554
Energy: 0.6655480974166048
Energy: 0.6446759285887291
Energy: 0.6686929900169474
Energy: 0.5610781575198986
Energy: 0.6686929900166053
Energy: 0.5610781575284511
Energy: 0.6686929900172894
Energy: 0.5610781575110041
Energy: 0.566489661116413
Energy: 0.6866716236503347
Energy: 0.5664896493428198
Energy: 0.6866716237953225
Energy: 0.5664896512621518
Energy: 0.686671623789849

minimum gb energy = 0.5161742958479688 eV
minimum distance =  2.59819573701286 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.6626115669433057
Energy: 0.652195600911126
Energy: 0.6626115669464763
Energy: 0.6521956009103336
Energy: 0.6626115669433057
Energy: 0.652195600911126
Energy: 0.7114222138131693
Energy: 0.633578995588144
Energy: 0.7114222138147546
Energy: 0.6335789955825956
Energy: 0.7114222138131693
Energy: 0.633578995601619
Energy: 0.6034553151586035
Energy: 0.7875942372185315
Energy: 0.6034553151586035
Energy: 0.7875942372185315
Energy: 0.6034553151593962
Energy: 0.7875942372185315
Energy: 0.5984904483587228
Energy: 0.5757512701461545
Energy: 0.5984904483587228
Energy: 0.5757512703022323
Energy: 0.5984904483587228
Energy: 0.575751270318085
Energy: 0.621517368155397
Energy: 0.6759181459411131
Energy: 0.6215173681561897
Energy: 0.6759181459411131
Energy: 0.6215173681514339
Energy: 0.6759181459411131
Energy: 0.6612316591324737
Energy: 0.6016593498268905
Energy: 0.6612316578323298
Energy: 0.6016593547826489
Energy: 0.6612316591752583
Energy: 0.601659354666185
Energy: 0.6919885255378428
Energy: 0.6472062214175706
Energy: 0.6919885255378428
Energy: 0.6472062182745774
Energy: 0.6919885255378428
Energy: 0.6472062211133415
Energy: 0.5792136967054323
Energy: 0.6732683173930382
Energy: 0.5792136967054323
Energy: 0.6732683206770671
Energy: 0.5792136967054323
Energy: 0.6732683183810084
Energy: 0.690427207005535
Energy: 0.5562738342590527
Energy: 0.690427207005535
Energy: 0.5562738342574675
Energy: 0.690427207005535
Energy: 0.5562738342606379
Energy: 0.6266479939345878
Energy: 0.6889221655822461
Energy: 0.6266479939242836
Energy: 0.6889221655830388
Energy: 0.6266479939337952
Energy: 0.6889221655838315
Energy: 0.7722495239314808
Energy: 0.554070903654781
Energy: 0.7722495239314808
Energy: 0.5540709036642926
Energy: 0.7722495239330661
Energy: 0.554070903654781
Energy: 0.7149916834947065
Energy: 0.6000168197860519
Energy: 0.7149916834947065
Energy: 0.6000168197852592
Energy: 0.714991683493914
Energy: 0.6000168197852592
Energy: 0.6985052583189569
Energy: 0.5951171168508053
Energy: 0.6985052583189569
Energy: 0.5951171168602989
Energy: 0.6985052583189569
Energy: 0.5951171168500127
Energy: 0.6037793102401029
Energy: 0.6246310175476528
Energy: 0.6037793102393103
Energy: 0.6246310172180591
Energy: 0.6037793102393103
Energy: 0.6246310177837692
Energy: 0.6000138111492479
Energy: 0.6733932572159926
Energy: 0.6000138111500405
Energy: 0.6733932572183706
Energy: 0.6000138111476626
Energy: 0.6733932572167853
Energy: 0.6887372384366115
Energy: 0.6043092437156821
Energy: 0.6887372384366115
Energy: 0.6043092437140968
Energy: 0.6887372384374042
Energy: 0.6043092437180599
Energy: 0.6589274336866341
Energy: 0.6734436746154544
Energy: 0.6589274336929752
Energy: 0.6734436746249479
Energy: 0.6589274336866341
Energy: 0.6734436746233807
Energy: 0.6023990060377794
Energy: 0.6353944074961881
Energy: 0.6023990060377794
Energy: 0.6353944074510257
Energy: 0.6023990060377794
Energy: 0.6353944074122043

minimum gb energy = 0.554070903654781 eV
minimum distance =  2.53241704199995 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.6315213215415184
Energy: 0.5035408503608854
Energy: 0.6315213215081577
Energy: 0.5035408503608854
Energy: 0.6315213215405779
Energy: 0.5035408503604152
Energy: 0.6050748314938879
Energy: 0.6696169629258214
Energy: 0.6050748315018808
Energy: 0.6696169629262916
Energy: 0.6050748315004703
Energy: 0.6696169629262916
Energy: 0.5027472750106484
Energy: 0.6050675931495971
Energy: 0.5027472750101782
Energy: 0.6050675911795191
Energy: 0.502747275009708
Energy: 0.6050675949279312
Energy: 0.5111033854876682
Energy: 0.5031629815829961
Energy: 0.5111033856902262
Energy: 0.5031629815721823
Energy: 0.5111033856888156
Energy: 0.5031629815750033
Energy: 0.5933130871265428
Energy: 0.6553148714601414
Energy: 0.5933130870583895
Energy: 0.6553148714601414
Energy: 0.5933130870541793
Energy: 0.6553148714601414
Energy: 0.5985849911837806
Energy: 0.5840807614724938
Energy: 0.5985851443541412
Energy: 0.5837760318675933
Energy: 0.5985853796489092
Energy: 0.5840628782358908
Energy: 0.5274215651695306
Energy: 0.5031118355158452
Energy: 0.5274215651690604
Energy: 0.5031118355158452
Energy: 0.5274215651695306
Energy: 0.5031118355163152
Energy: 0.5028230595813459
Energy: 0.6101126542236877
Energy: 0.5028230595818161
Energy: 0.6101126542133438
Energy: 0.5028230595818161
Energy: 0.6101126542199263
Energy: 0.6130664528271059
Energy: 0.6640742742477956
Energy: 0.613066452819583
Energy: 0.6640742742510868
Energy: 0.613066452853414
Energy: 0.6640742742477956
Energy: 0.6315213214978139
Energy: 0.5035408503608854
Energy: 0.6315213215358763
Energy: 0.5035408503608854
Energy: 0.6315213214987543
Energy: 0.5035408503608854
Energy: 0.6050748314802743
Energy: 0.6696169629300529
Energy: 0.605074831473692
Energy: 0.6696169629295827
Energy: 0.6050748314732218
Energy: 0.6696169629300529
Energy: 0.502747275009238
Energy: 0.6050675936045085
Energy: 0.5027472750106484
Energy: 0.6050675945542954
Energy: 0.5027472750106484
Energy: 0.6050675927473024
Energy: 0.5111033830739415
Energy: 0.5031629815971013
Energy: 0.511103382883138
Energy: 0.5031629815923997
Energy: 0.5111033832290338
Energy: 0.5031629815919294
Energy: 0.5933130871961066
Energy: 0.6553148714606116
Energy: 0.5933130872116009
Energy: 0.6553148714606116
Energy: 0.5933130872120711
Energy: 0.6553148714601414
Energy: 0.598584619280554
Energy: 0.5875004413737535
Energy: 0.5985847002483635
Energy: 0.5823960043969626
Energy: 0.5985845744965026
Energy: 0.582382099069475
Energy: 0.5274215651695306
Energy: 0.5031118355163152
Energy: 0.5274215651695306
Energy: 0.5031118355172556
Energy: 0.5274215651695306
Energy: 0.5031118355149048
Energy: 0.5028230595818161
Energy: 0.6101126542593992
Energy: 0.5028230595822861
Energy: 0.6101126542579887
Energy: 0.5028230595813459
Energy: 0.6101126542645711
Energy: 0.6130664528637578
Energy: 0.6640742742567289
Energy: 0.6130664528961781
Energy: 0.6640742742595286
Energy: 0.6130664528722208
Energy: 0.664074274254378
Energy: 0.6315213215161506
Energy: 0.5035408503608854
Energy: 0.6315213215086278
Energy: 0.5035408503604152
Energy: 0.6315213215147399
Energy: 0.5035408503604152
Energy: 0.6050748314680499
Energy: 0.6696169629262916
Energy: 0.6050748314624078
Energy: 0.6696169629267618
Energy: 0.6050748314581762
Energy: 0.6696169629267618
Energy: 0.5027472750111186
Energy: 0.6050675926274729
Energy: 0.5027472750101782
Energy: 0.6050675923774491
Energy: 0.502747275009708
Energy: 0.6050675923102361
Energy: 0.5111033683345484
Energy: 0.5031629815754735
Energy: 0.5111033683166819
Energy: 0.5031629815801751
Energy: 0.5111033683660284
Energy: 0.5031629815764138
Energy: 0.5933130875725422
Energy: 0.6553148714596712
Energy: 0.5933130875222553
Energy: 0.6553148714601414
Energy: 0.5933130876214185
Energy: 0.6553148714601414
Energy: 0.5985786012058352
Energy: 0.5821427796584917
Energy: 0.5985791131571375
Energy: 0.5822598091958419
Energy: 0.5985787256925529
Energy: 0.5824993756205692
Energy: 0.5274215651695306
Energy: 0.5031118355153749
Energy: 0.5274215651695306
Energy: 0.5031118355149048
Energy: 0.5274215651695306
Energy: 0.5031118355177259
Energy: 0.5028230595818161
Energy: 0.6101126542645711
Energy: 0.5028230595808757
Energy: 0.6101126542570484
Energy: 0.5028230595822861
Energy: 0.6101126542415326
Energy: 0.6130664528778629
Energy: 0.6640742742670512
Energy: 0.6130664528595262
Energy: 0.664074274266581
Energy: 0.6130664529182761
Energy: 0.6640742742632899
Energy: 0.6315213214630426
Energy: 0.5035408503608854
Energy: 0.6315213214714843
Energy: 0.5035408503608854
Energy: 0.6315213214869999
Energy: 0.5035408503608854
Energy: 0.6050748314276366
Energy: 0.6696169629201794
Energy: 0.6050748314271663
Energy: 0.6696169629201794
Energy: 0.6050748314266963
Energy: 0.6696169629201794
Energy: 0.5027472750106484
Energy: 0.6050675898946289
Energy: 0.5027472750101782
Energy: 0.6050675916964714
Energy: 0.5027472750111186
Energy: 0.6050675914271707

minimum gb energy = 0.502747275009238 eV
minimum distance =  2.5812448109556 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.5602213970328517
Energy: 0.47602346064054596
Energy: 0.5602213970316999
Energy: 0.47602346064054596
Energy: 0.5602213970316999
Energy: 0.47602346064054596
Energy: 0.7546108198580054
Energy: 0.547695241292507
Energy: 0.7546108198626121
Energy: 0.5476952412936588
Energy: 0.7546108198603088
Energy: 0.5476952412959359
Energy: 0.5304575759177126
Energy: 0.602441840141465
Energy: 0.5304575759177126
Energy: 0.6024175663527351
Energy: 0.5304575759177126
Energy: 0.5982527093624774
Energy: 0.6189573261360951
Energy: 0.5491536915872691
Energy: 0.6189573261349435
Energy: 0.5491536915849659
Energy: 0.6189573261430052
Energy: 0.5491536915826625
Energy: 0.6286003446560039
Energy: 0.4761185007782811
Energy: 0.6286003446560039
Energy: 0.4761185007851912
Energy: 0.6286003446560039
Energy: 0.4761185007863428
Energy: 0.6276807534572667
Energy: 0.7090194238825788
Energy: 0.6276807534572667
Energy: 0.709019423881427
Energy: 0.6276807534561151
Energy: 0.7090194238837303
Energy: 0.5505297613849939
Energy: 0.5395859707348618
Energy: 0.5505297613849939
Energy: 0.5395859707360134
Energy: 0.5505297613849939
Energy: 0.5395859707360134
Energy: 0.5619326234455152
Energy: 0.572257445539487
Energy: 0.5619326234627905
Energy: 0.572257445539487
Energy: 0.5619326234639421
Energy: 0.5722574455406386
Energy: 0.7566603057811581
Energy: 0.5306761968464199
Energy: 0.7566603057834613
Energy: 0.5306761968452681
Energy: 0.7566603057823098
Energy: 0.5306761968452681
Energy: 0.6104896344086058
Energy: 0.5963165990850479
Energy: 0.6104896344086058
Energy: 0.5963165990827445
Energy: 0.6104896344086058
Energy: 0.5963165990804412
Energy: 0.49073457455847425
Energy: 0.5577694174717753
Energy: 0.49073457455847425
Energy: 0.5577694174729271
Energy: 0.49073457455847425
Energy: 0.5577694174729271
Energy: 0.6422485126526183
Energy: 0.5992772672183202
Energy: 0.6422485126526183
Energy: 0.5992772672171686
Energy: 0.6422485126526183
Energy: 0.5992772672183202

minimum gb energy = 0.47602346064054596 eV
minimum distance =  2.55464547465328 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.5088281423887123
Energy: 0.5217298006795109
Energy: 0.508828142389036
Energy: 0.5217298006798344
Energy: 0.5088281423887123
Energy: 0.5217298006795109
Energy: 0.6473045152774533
Energy: 0.5589235366010167
Energy: 0.6472986052079632
Energy: 0.5589235366013403
Energy: 0.647303080098998
Energy: 0.5589235365984279
Energy: 0.5273488006058239
Energy: 0.6586156124827413
Energy: 0.5273488006061475
Energy: 0.6586156124746515
Energy: 0.5273488006051766
Energy: 0.6586156124669146
Energy: 0.5040878732203259
Energy: 0.5129777162069185
Energy: 0.5040875193393979
Energy: 0.5129777162075657
Energy: 0.504087864590353
Energy: 0.5129777162072421
Energy: 0.5155859225913808
Energy: 0.5032082505379439
Energy: 0.5155859225913808
Energy: 0.5032082505379439
Energy: 0.5155859225913808
Energy: 0.5032082505376203
Energy: 0.5906821316500334
Energy: 0.533749425358836
Energy: 0.5906821290436646
Energy: 0.5337494253543057
Energy: 0.590682133087112
Energy: 0.5337494253543057
Energy: 0.5513968763316742
Energy: 0.5731986822657243
Energy: 0.5513953337064512
Energy: 0.5731986822747849
Energy: 0.5513989102929736
Energy: 0.5731986823232946
Energy: 0.4748425310153435
Energy: 0.5114646012637033
Energy: 0.4748425310146963
Energy: 0.5114646012640269
Energy: 0.4748425310146963
Energy: 0.5114646012637033
Energy: 0.6491382936808174
Energy: 0.5038559258051293
Energy: 0.6491382936843768
Energy: 0.5038559258051293
Energy: 0.6491382937028217
Energy: 0.5038559258051293
Energy: 0.5684971895959431
Energy: 0.66633803234742
Energy: 0.5684971895969139
Energy: 0.6663380323564512
Energy: 0.5684971895959431
Energy: 0.6663380323487144
Energy: 0.43629186645499274
Energy: 0.47519470027552574
Energy: 0.43629186645402196
Energy: 0.4751947047895663
Energy: 0.4362918664559636
Energy: 0.4751946912881292
Energy: 0.4972679565660784
Energy: 0.5354690704297599
Energy: 0.49726795656575484
Energy: 0.5354690693578419
Energy: 0.49726795656640205
Energy: 0.535469070644832
Energy: 0.6507632791175467
Energy: 0.6392267371767039
Energy: 0.6399994652075273
Energy: 0.6392267371754095
Energy: 0.5447354657594637
Energy: 0.6392267371763803
Energy: 0.5790461411681886
Energy: 0.5416334827666148
Energy: 0.607883715009031
Energy: 0.54163348276888
Energy: 0.5740528352895465
Energy: 0.5416334827666148
Energy: 0.49272677442805796
Energy: 0.5413168208393945
Energy: 0.4927267744283816
Energy: 0.5413168208649584
Energy: 0.49272677442805796
Energy: 0.5413168208724011
Energy: 0.6819283748721766
Energy: 0.5483152471824594
Energy: 0.6819283748725002
Energy: 0.5483152471721044
Energy: 0.6819283748725002
Energy: 0.5483152471475407
Energy: 0.5935932299008063
Energy: 0.6030025098764783
Energy: 0.5935932299004827
Energy: 0.6030024447307896
Energy: 0.5935932299008063
Energy: 0.603002506563705
Energy: 0.4373905512918245
Energy: 0.4804725446290699
Energy: 0.4373905512915009
Energy: 0.48047254462939354
Energy: 0.4373905512915009
Energy: 0.4804725446287464
Energy: 0.48727344700218356
Energy: 0.6343642518792683
Energy: 0.48727344699862407
Energy: 0.6343642355793655
Energy: 0.4872734470144801
Energy: 0.6343642355803363
Energy: 0.6070157209529279
Energy: 0.574490460738498
Energy: 0.6070157209506627
Energy: 0.5744904607404395
Energy: 0.6070157209529279
Energy: 0.5744904607423811
Energy: 0.4775096606299914
Energy: 0.5814140001213798
Energy: 0.47750966175527293
Energy: 0.5814140001213798
Energy: 0.4775096613648721
Energy: 0.581414000122027
Energy: 0.46753086276185457
Energy: 0.48146233334585753
Energy: 0.46753086275282335
Energy: 0.4814623333455339
Energy: 0.46753086268942845
Energy: 0.4814623333455339
Energy: 0.5941488000160673
Energy: 0.5960516169367931
Energy: 0.5941488000157437
Energy: 0.5960514945204155
Energy: 0.5941488000160673
Energy: 0.5960514819961129
Energy: 0.6861793254543136
Energy: 0.6951740495372339
Energy: 0.6861793254546371
Energy: 0.6951740495450001
Energy: 0.6861793254546371
Energy: 0.6951740495375575
Energy: 0.49105551305437595
Energy: 0.5439091894334638
Energy: 0.49105551303043005
Energy: 0.5439091894315516
Energy: 0.49105551305922984
Energy: 0.5439091894318753
Energy: 0.605338326663823
Energy: 0.5414049679736801
Energy: 0.6053383787217743
Energy: 0.5414049679733566
Energy: 0.6053382154165091
Energy: 0.5414049679740037
Energy: 0.5846145672077726
Energy: 0.63749374691785
Energy: 0.5846145647343418
Energy: 0.6374937469181735
Energy: 0.5846145653459923
Energy: 0.6374937469184971
Energy: 0.4958697747185461
Energy: 0.56589696987262
Energy: 0.4958697747053082
Energy: 0.5658969698748851
Energy: 0.4958697747204877
Energy: 0.5658969698716492
Energy: 0.49220434766504867
Energy: 0.47345326434823753
Energy: 0.4922043476611655
Energy: 0.4727427988639813
Energy: 0.4922043476634307
Energy: 0.4734267707899526
Energy: 0.5672191412314358
Energy: 0.6467915826968283
Energy: 0.5672191412333774
Energy: 0.646791614184002
Energy: 0.5672191412447031
Energy: 0.6467915889882502
Energy: 0.6438486824084154
Energy: 0.548419588222126
Energy: 0.6438486823938537
Energy: 0.5484195882198608
Energy: 0.6438486824029144
Energy: 0.5484195882214788
Energy: 0.4678907806833321
Energy: 0.5112530926229516
Energy: 0.4678907525949489
Energy: 0.511253092622628
Energy: 0.4678907698183286
Energy: 0.5112530926229516
Energy: 0.5325946778368166
Energy: 0.579335906872893
Energy: 0.5325946779180092
Energy: 0.5793359068725695
Energy: 0.5325946793754741
Energy: 0.579335906872893
Energy: 0.6610277843667479
Energy: 0.6179513348021071
Energy: 0.6610277842422234
Energy: 0.6189409861057544
Energy: 0.6610277843593053
Energy: 0.6189088499137381
Energy: 0.5156900534475329
Energy: 0.503930894126299
Energy: 0.5156900534475329
Energy: 0.503930894126299
Energy: 0.5156900534468857
Energy: 0.5039308941269461
Energy: 0.4868538112766872
Energy: 0.5142939987274762
Energy: 0.48685381116251747
Energy: 0.5142939987245638
Energy: 0.4868538112996329
Energy: 0.5142939987316828
Energy: 0.4656714032317206
Energy: 0.6423697346816112
Energy: 0.4656714041005103
Energy: 0.6424344716766952
Energy: 0.4656714033287692
Energy: 0.6425746503031927
Energy: 0.6170989240370224
Energy: 0.5690329002175372
Energy: 0.617098924020519
Energy: 0.5690329002165664
Energy: 0.6170989240240785
Energy: 0.5690329002172135
Energy: 0.5088281423887123
Energy: 0.5217298006791873
Energy: 0.508828142389036
Energy: 0.5217298006791873
Energy: 0.5088281423887123
Energy: 0.5217298006791873
Energy: 0.6494999306295811
Energy: 0.5589235366032818
Energy: 0.649500040438522
Energy: 0.5589235366029582
Energy: 0.6495001328199842
Energy: 0.5589235366042526
Energy: 0.5273488005964396
Energy: 0.6586156120027639
Energy: 0.5273488005957925
Energy: 0.6586156120092063
Energy: 0.5273488005964396
Energy: 0.6586156120137368
Energy: 0.5032795878754417
Energy: 0.5129777162343946
Energy: 0.5032808123486616
Energy: 0.5129777162340711
Energy: 0.5032781081492276
Energy: 0.5129777162347182
Energy: 0.515585922586527
Energy: 0.5032082505376203
Energy: 0.5155859225871742
Energy: 0.5032082505382675
Energy: 0.5155859225862034
Energy: 0.5032082505376203

minimum gb energy = 0.43629186645402196 eV
minimum distance =  2.59830724033296 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.25855361290308954
Energy: 0.2629910133995926
Energy: 0.2585536129023529
Energy: 0.26299101340032915
Energy: 0.25855361290308954
Energy: 0.2629910133995926
Energy: 0.5674602833083465
Energy: 0.25891742235262616
Energy: 0.567460276519029
Energy: 0.25892283711259356
Energy: 0.567460156433333
Energy: 0.25891934520810844
Energy: 0.26981842223013863
Energy: 0.573049882575331
Energy: 0.2698327139644692
Energy: 0.573049882575331
Energy: 0.2698374314615276
Energy: 0.573049882575331
Energy: 0.26493431451647337
Energy: 0.2637238312443686
Energy: 0.26493435644516056
Energy: 0.2637238312443686
Energy: 0.2649343588035019
Energy: 0.263723831243632
Energy: 0.782306594090749
Energy: 0.6245292530048229
Energy: 0.782306594084856
Energy: 0.6245357269024281
Energy: 0.7823065940966417
Energy: 0.6245410782635443
Energy: 0.25868884322969427
Energy: 0.2727248734064311
Energy: 0.25868988160324746
Energy: 0.2727213396513065
Energy: 0.2586891098382481
Energy: 0.27272246733737376
Energy: 0.258702220092523
Energy: 0.7430347048893367
Energy: 0.258697742219049
Energy: 0.7430347048827072
Energy: 0.25869744183399807
Energy: 0.7430347048856537
Energy: 0.29201713871371376
Energy: 0.2935907922582241
Energy: 0.29201122446599226
Energy: 0.2935907922582241
Energy: 0.29201581999982235
Energy: 0.2935907922582241
Energy: 0.26493344885778114
Energy: 0.2637279752611195
Energy: 0.26493340411646177
Energy: 0.2637279752603829
Energy: 0.26493341655310876
Energy: 0.2637279752611195
Energy: 0.2695725409685986
Energy: 0.5753728747465889
Energy: 0.2695725337669772
Energy: 0.575372887066181
Energy: 0.2695725682628127
Energy: 0.5753728694350223
Energy: 0.2929638658247349
Energy: 0.6345600872759564
Energy: 0.2929638658254715
Energy: 0.6345625501334444
Energy: 0.2929638658247349
Energy: 0.6345662710258582
Energy: 0.2585536129023529
Energy: 0.26299101340032915
Energy: 0.25855361290308954
Energy: 0.2629910133995926
Energy: 0.2585536129023529
Energy: 0.2629910133995926
Energy: 0.5674599870221924
Energy: 0.2589175289067967
Energy: 0.5674600036718779
Energy: 0.25891880591512845
Energy: 0.5674600567744857
Energy: 0.2589172138894825
Energy: 0.26983146162327953
Energy: 0.573049882575331
Energy: 0.26980039815632323
Energy: 0.573049882575331
Energy: 0.26983157433873606
Energy: 0.573049882575331
Energy: 0.26493437804932163
Energy: 0.2637238312443686
Energy: 0.2649343182678549
Energy: 0.263723831243632
Energy: 0.2649343241316823
Energy: 0.2637238312428954
Energy: 0.7823065939140281
Energy: 0.5774003761526055
Energy: 0.7823065939037155
Energy: 0.5939889641374159
Energy: 0.7823065939191843
Energy: 0.594554192638416
Energy: 0.2586961616758651
Energy: 0.2727256339084127
Energy: 0.2586904493242935
Energy: 0.27271871933556935
Energy: 0.25868941237840154
Energy: 0.27271690411959354
Energy: 0.25869973612122543
Energy: 0.7430347048407202
Energy: 0.2587041218526111
Energy: 0.7430347048340905
Energy: 0.25869974257036066
Energy: 0.7430347048421934
Energy: 0.29201126640425545
Energy: 0.2935907922582241
Energy: 0.2920172229436147
Energy: 0.2935907922582241
Energy: 0.2920099239649178
Energy: 0.2935907922582241

minimum gb energy = 0.2585536129023529 eV
minimum distance =  2.74382995510853 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.5355387049896222
Energy: 0.523703184532021
Energy: 0.5355387049869242
Energy: 0.5237031845341794
Energy: 0.5355387049907013
Energy: 0.5237031845331003
Energy: 0.6309032258795084
Energy: 0.45196978907542595
Energy: 0.6309032554399621
Energy: 0.45196978906949054
Energy: 0.6309032563757013
Energy: 0.4519697890667926
Energy: 0.5302723759411873
Energy: 0.8246608326618418
Energy: 0.5302723759395686
Energy: 0.8246608326467334
Energy: 0.5302723759417269
Energy: 0.8246608326494314
Energy: 0.5988517433244571
Energy: 0.5229701163470634
Energy: 0.5988517418337297
Energy: 0.5229701163459842
Energy: 0.5988517440288613
Energy: 0.5229701163470634
Energy: 0.4702734489957024
Energy: 0.4165465411431874
Energy: 0.470273448996242
Energy: 0.4165465411431874
Energy: 0.470273448996242
Energy: 0.4165465411431874
Energy: 0.6823178484132955
Energy: 0.4892503419017742
Energy: 0.682317848413835
Energy: 0.4892503419001554
Energy: 0.6823178484132955
Energy: 0.4892503419012347
Energy: 0.5416674014107595
Energy: 0.6078454710237855
Energy: 0.5416674015143109
Energy: 0.6078454723360083
Energy: 0.5416674015288796
Energy: 0.6078454714153774
Energy: 0.47996434000968546
Energy: 0.41034811692513434
Energy: 0.47996434001076466
Energy: 0.41034811696339585
Energy: 0.4799643400091459
Energy: 0.41034811697580637
Energy: 0.48159848090221313
Energy: 0.41706347179642045
Energy: 0.48159848090275265
Energy: 0.4170634717948017
Energy: 0.48159848090275265
Energy: 0.41706347179534137
Energy: 0.42184699198706554
Energy: 0.6408040205598934
Energy: 0.4218471119678162
Energy: 0.6408040205507204
Energy: 0.42184700227833366
Energy: 0.6408040205593538
Energy: 0.6394745583599895
Energy: 0.5597575578717119
Energy: 0.6394745583282029
Energy: 0.5597575578722516
Energy: 0.6394745582041473
Energy: 0.5597575578722516
Energy: 0.4957612891629877
Energy: 0.4184058286081338
Energy: 0.4957612891494981
Energy: 0.4184058286086734
Energy: 0.49576128915651274
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Energy: 0.5089286731590902
Energy: 0.5209836309895105
Energy: 0.5089286731067503
Energy: 0.5209836308384757
Energy: 0.5089286730921816
Energy: 0.5209836312252111
Energy: 0.5247231859704448
Energy: 0.7375938753868795
Energy: 0.5247231859704448
Energy: 0.7375938753890378
Energy: 0.5247231859704448
Energy: 0.7375938753884982
Energy: 0.5940179286067717
Energy: 0.45427044561632435
Energy: 0.5940179283457105
Energy: 0.45427044561524516
Energy: 0.5940179284541182
Energy: 0.4542704456157848
Energy: 0.49673835481070105
Energy: 0.5250502951999236
Energy: 0.4967405238177316
Energy: 0.5250502952004633
Energy: 0.49673805293505496
Energy: 0.5250502952004633
Energy: 0.47014930485608863
Energy: 0.4526891531386312
Energy: 0.47014930485123235
Energy: 0.4526891531386312
Energy: 0.47014930485554907
Energy: 0.4526891531386312
Energy: 0.5573841255672725
Energy: 0.6411930921115684
Energy: 0.5573841255645746
Energy: 0.6411930921115684
Energy: 0.5573841242334663
Energy: 0.6411930921142663
Energy: 0.5744200549440238
Energy: 0.5295078624340085
Energy: 0.574420082701477
Energy: 0.5295078624350875
Energy: 0.5744200836825415
Energy: 0.5295078624680024
Energy: 0.48809027152645756
Energy: 0.4693686478960044
Energy: 0.488090271525967
Energy: 0.4693686478965441
Energy: 0.4880902715269971
Energy: 0.4693686478960044
Energy: 0.42904721154497505
Energy: 0.48723676994078907
Energy: 0.42904720688555653
Energy: 0.4872367699413287
Energy: 0.4290472073456268
Energy: 0.48723676994078907
Energy: 0.5641368296345223
Energy: 0.5738912341950597
Energy: 0.564136829636141
Energy: 0.5726877385311839
Energy: 0.5641368296469328
Energy: 0.568654087421979
Energy: 0.4900545887969109
Energy: 0.5501086715773978
Energy: 0.4900545887969109
Energy: 0.5501086715768582
Energy: 0.4900545887969109
Energy: 0.5501086715763187
Energy: 0.5032002048390906
Energy: 0.4661248047132689
Energy: 0.50320020483963
Energy: 0.4661248047132689
Energy: 0.50320020483963
Energy: 0.4661248047132689
Energy: 0.4804723333298452
Energy: 0.6345556000069416
Energy: 0.4804723074482363
Energy: 0.6345556000020852
Energy: 0.48047233489017915
Energy: 0.6345556000064019
Energy: 0.7016878636041647
Energy: 0.5622030686468465
Energy: 0.7016878638841114
Energy: 0.5622030686463069
Energy: 0.7016878638824925
Energy: 0.5622030686463069

minimum gb energy = 0.41034811692513434 eV
minimum distance =  2.57300074118179 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.5511032593629156
Energy: 0.4410291156210622
Energy: 0.5511032593633409
Energy: 0.4410287877825394
Energy: 0.5511032593633409
Energy: 0.44102909401597834
Energy: 0.6143095387611014
Energy: 0.511679963626375
Energy: 0.6143095387041324
Energy: 0.5116799636361566
Energy: 0.614309538843568
Energy: 0.5116799636285017
Energy: 0.6028726064635581
Energy: 0.7709798633170787
Energy: 0.6028726064631328
Energy: 0.7709798633162283
Energy: 0.6028726064631328
Energy: 0.7709798633166536
Energy: 0.5690926958012362
Energy: 0.4508853148312026
Energy: 0.5690926958016614
Energy: 0.45088531483162786
Energy: 0.5690926958012362
Energy: 0.45088531483162786
Energy: 0.4464047105294802
Energy: 0.4424801372213456
Energy: 0.4464047105294802
Energy: 0.4424801372647053
Energy: 0.4464047105294802
Energy: 0.4424801371877674
Energy: 0.6266428128241478
Energy: 0.5540939877525733
Energy: 0.6266428128441361
Energy: 0.5540939877529987
Energy: 0.6266428128135156
Energy: 0.5540939877525733
Energy: 0.5112574990671224
Energy: 0.6934441198568307
Energy: 0.5112574990662718
Energy: 0.6934441198568307
Energy: 0.5112574990662718
Energy: 0.6934441198568307
Energy: 0.4594545383593682
Energy: 0.45001766091826345
Energy: 0.459454538529405
Energy: 0.4500176609140105
Energy: 0.4594545385901821
Energy: 0.45001766091358525
Energy: 0.45187793958446276
Energy: 0.49183288982166695
Energy: 0.45187793958786504
Energy: 0.4918328898148624
Energy: 0.4518779395887155
Energy: 0.491832889815713
Energy: 0.6673028600570461
Energy: 0.611437630440105
Energy: 0.6673028600532185
Energy: 0.6114376304422121
Energy: 0.6673028600557702
Energy: 0.6114376304409556
Energy: 0.6480161425521147
Energy: 0.6053161278935579
Energy: 0.6480161425274482
Energy: 0.6053161278939833
Energy: 0.6480161425389308
Energy: 0.6053161278935579
Energy: 0.4892999124128508
Energy: 0.5299717572306368
Energy: 0.4892999165745365
Energy: 0.5299717572306368
Energy: 0.489299910244438
Energy: 0.5332383638308987
Energy: 0.4541340377368533
Energy: 0.4370308180183884
Energy: 0.45413403773642796
Energy: 0.4370308180183884
Energy: 0.4541340377368533
Energy: 0.43703081801923893
Energy: 0.46582835180002036
Energy: 0.6572672766106981
Energy: 0.4658283517927905
Energy: 0.6572672766102728
Energy: 0.4658283517932158
Energy: 0.6572672766102728
Energy: 0.6443623340638895
Energy: 0.5810999502239468
Energy: 0.6443623340638895
Energy: 0.581099950224372
Energy: 0.6443623340643149
Energy: 0.5810999502239468
Energy: 0.4321469484134808
Energy: 0.5522501435419741
Energy: 0.4321469484028487
Energy: 0.5621809412533118
Energy: 0.432146948401998
Energy: 0.5621809412533118
Energy: 0.4685575338455842
Energy: 0.4317831093258584
Energy: 0.46855753391701266
Energy: 0.4317831076526901
Energy: 0.4685575338460094
Energy: 0.4317831079761774
Energy: 0.5106154539681909
Energy: 0.7543000202356049
Energy: 0.5106154539686162
Energy: 0.7543000202249922
Energy: 0.5106154539686162
Energy: 0.7543000202360302
Energy: 0.636163929271624
Energy: 0.4980715731438748
Energy: 0.6361639292711987
Energy: 0.49807157314430006
Energy: 0.6361639292720492
Energy: 0.49807157314430006
Energy: 0.5488314664833518
Energy: 0.52576445499393
Energy: 0.5488314664825013
Energy: 0.542034641844579
Energy: 0.5488314664825013
Energy: 0.542034641844579
Energy: 0.45369260593571914
Energy: 0.5419774040385215
Energy: 0.45369260593571914
Energy: 0.5419774040385215
Energy: 0.45369260593571914
Energy: 0.5419774040368204
Energy: 0.604684647709899
Energy: 0.7147498687463952
Energy: 0.604684647709899
Energy: 0.7148557261006264
Energy: 0.6046846477094737
Energy: 0.7148409344862968
Energy: 0.5638685848010605
Energy: 0.45764121743662756
Energy: 0.5638685848091215
Energy: 0.45764121743662756
Energy: 0.5638685848010605
Energy: 0.45764121743662756
Energy: 0.4348987286045526
Energy: 0.539777487067284
Energy: 0.4348987286045526
Energy: 0.5204171658540675
Energy: 0.434898728607955
Energy: 0.5204171658540675
Energy: 0.4368025615787813
Energy: 0.5064733111893641
Energy: 0.43680256152691577
Energy: 0.5064733111893641
Energy: 0.43680256155966274
Energy: 0.5064733111885136
Energy: 0.5252463557791369
Energy: 0.6898876144553251
Energy: 0.525246355728122
Energy: 0.6898876144553251
Energy: 0.5252463555572346
Energy: 0.6898876144548999
Energy: 0.46425987497553917
Energy: 0.4720450822524512
Energy: 0.46425987497596444
Energy: 0.4720450822524512
Energy: 0.46425987497553917
Energy: 0.4720450822524512
Energy: 0.4511099772724018
Energy: 0.5297890970013529
Energy: 0.45110997727325236
Energy: 0.5595462826064498
Energy: 0.45110997727282715
Energy: 0.5466927245307064
Energy: 0.5958247314584043
Energy: 0.526366964508945
Energy: 0.5958247196968347
Energy: 0.5263669645025657
Energy: 0.5958247019766919
Energy: 0.526366964508945
Energy: 0.7236946395760302
Energy: 0.5770210414547935
Energy: 0.7236946395760302
Energy: 0.5770210414543683
Energy: 0.7236946395764555
Energy: 0.5770210414547935
Energy: 0.47029085729891856
Energy: 0.48221798364134094
Energy: 0.47029085729594156
Energy: 0.4822179836400652
Energy: 0.47029085729849324
Energy: 0.48221798363921453
Energy: 0.4607698956294221
Energy: 0.4325761891392625
Energy: 0.46076989562899684
Energy: 0.4325761891392625
Energy: 0.4607698956294221
Energy: 0.4325761891388371
Energy: 0.4537929529513581
Energy: 0.515454715141808
Energy: 0.4537929529513581
Energy: 0.5154547151413826
Energy: 0.4537929529517833
Energy: 0.5154547151413826

minimum gb energy = 0.4317831076526901 eV
minimum distance =  2.6471259978721 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.7363162784373666
Energy: 0.48357799563111664
Energy: 0.736316281587792
Energy: 0.4835779956314151
Energy: 0.736316277726141
Energy: 0.4835779956314151
Energy: 0.6826799165075731
Energy: 0.4417417444587473
Energy: 0.6826799165899234
Energy: 0.4417417444608366
Energy: 0.6826799170538262
Energy: 0.44174174445815045
Energy: 0.6289810843004863
Energy: 0.7927506791324267
Energy: 0.6289810843025754
Energy: 0.7927506791345158
Energy: 0.6289810843013817
Energy: 0.7927506791380976
Energy: 0.6537302404846861
Energy: 0.4760224594857195
Energy: 0.6537302404843877
Energy: 0.4760224594815409
Energy: 0.6537302404846861
Energy: 0.4760224594824364
Energy: 0.4659607935737733
Energy: 0.6313383298949964
Energy: 0.4659607935737733
Energy: 0.6313383298946978
Energy: 0.4659607935743702
Energy: 0.6313383298949964
Energy: 0.5821972280876963
Energy: 0.57734928587979
Energy: 0.5821972280870993
Energy: 0.5773492858815809
Energy: 0.5821972280870993
Energy: 0.5773492858788946
Energy: 0.5054132430127847
Energy: 0.7896536520142113
Energy: 0.5054132430050244
Energy: 0.7896536520046602
Energy: 0.5054132430103968
Energy: 0.7896536520127189
Energy: 0.5504386547496759
Energy: 0.5691951563694548
Energy: 0.5504386547917601
Energy: 0.569195156368858
Energy: 0.5504386547893723
Energy: 0.5691951563691564
Energy: 0.6032112795632502
Energy: 0.4876507512725993
Energy: 0.6032112795551915
Energy: 0.4876507512725993
Energy: 0.6032112795560869
Energy: 0.4876507512725993
Energy: 0.7264691831937496
Energy: 0.4798272835486507
Energy: 0.7264691831931527
Energy: 0.479827283550143
Energy: 0.7264691831934512
Energy: 0.4798272835486507
Energy: 0.5627896790350859
Energy: 0.6264582454608406
Energy: 0.5627896648587135
Energy: 0.6264582454605422
Energy: 0.56278966740501
Energy: 0.6264582454608406
Energy: 0.5683090586048953
Energy: 0.48039992177846613
Energy: 0.5683090586034031
Energy: 0.48039992177846613
Energy: 0.5683090585696758
Energy: 0.48039992177846613
Energy: 0.48447413862373345
Energy: 0.5929798376223432
Energy: 0.4844741386302998
Energy: 0.5929798376235371
Energy: 0.4844741386270167
Energy: 0.5929798376235371
Energy: 0.7124756708613661
Energy: 0.6299758117413029
Energy: 0.712475670879844
Energy: 0.6299758117421983
Energy: 0.7124756708518151
Energy: 0.6299758117418998
Energy: 0.7214631779596185
Energy: 0.5625702870591374
Energy: 0.7214631779599169
Energy: 0.5625702870612266
Energy: 0.7214631779599169
Energy: 0.5625702870603313
Energy: 0.5319392224841523
Energy: 0.5715014048315274
Energy: 0.5319392224844508
Energy: 0.5715014048315274
Energy: 0.5319392224847493
Energy: 0.571501404831826
Energy: 0.5826830412349765
Energy: 0.46408943971382643
Energy: 0.5826830412358719
Energy: 0.46408943969353056
Energy: 0.5826830412334841
Energy: 0.46408943972397443
Energy: 0.4752383549242439
Energy: 0.5639564215412015
Energy: 0.47523856229579503
Energy: 0.5639564215238903
Energy: 0.4752383201250491
Energy: 0.5639564215420968
Energy: 0.7306946838158552
Energy: 0.6323457466044181
Energy: 0.7306946838161538
Energy: 0.6323457466044181
Energy: 0.730694683817049
Energy: 0.6323457466041198
Energy: 0.5927565896490826
Energy: 0.46755713547192373
Energy: 0.59275658963207
Energy: 0.4675571343689709
Energy: 0.5927565896514704
Energy: 0.46755713581231445
Energy: 0.4796380142940238
Energy: 0.49734971675540507
Energy: 0.4796380142955161
Energy: 0.49734971675659895
Energy: 0.4796380142937253
Energy: 0.4973497167801509
Energy: 0.4392797620169818
Energy: 0.6856459247787254
Energy: 0.43927976201728025
Energy: 0.6856459247775315
Energy: 0.4392797620175788
Energy: 0.6856459247820086
Energy: 0.7680762782304181
Energy: 0.5238879843549356
Energy: 0.7680762786036404
Energy: 0.5238879843522494
Energy: 0.7680762783825561
Energy: 0.5238879843537417
Energy: 0.46452897228070367
Energy: 0.5904625883558418
Energy: 0.46452897229085155
Energy: 0.5904625883552447
Energy: 0.4645289722863746
Energy: 0.5904625883558418
Energy: 0.6117099324810609
Energy: 0.46470768758862124
Energy: 0.6117099324804639
Energy: 0.4647076875883228
Energy: 0.6117099324801655
Energy: 0.4647076875913075
Energy: 0.5237392523251062
Energy: 0.5886291890215418
Energy: 0.5237392530649846
Energy: 0.588371372777188
Energy: 0.523739253167007
Energy: 0.5886096219807652
Energy: 0.6837516626743874
Energy: 0.500620397920746
Energy: 0.6837516617101685
Energy: 0.5006203979234323
Energy: 0.6837516611406348
Energy: 0.5006203979165674
Energy: 0.6066104653760104
Energy: 0.49103021840719335
Energy: 0.6066104652874191
Energy: 0.4910302184062979
Energy: 0.6066104653983956
Energy: 0.4910302184068949
Energy: 0.4739723043192521
Energy: 0.5924408507703365
Energy: 0.4739723043127129
Energy: 0.5924408507703365
Energy: 0.47397230431181747
Energy: 0.5924408507700379
Energy: 0.48040535817379326
Energy: 0.7688380965854495
Energy: 0.4804053581728978
Energy: 0.7688380965836586
Energy: 0.48040535817379326
Energy: 0.7688380965860464
Energy: 0.5642547900862306
Energy: 0.5152836270202035
Energy: 0.564254790086529
Energy: 0.5152836270199049
Energy: 0.5642547900862306
Energy: 0.5152836270199049
Energy: 0.48192521802469285
Energy: 0.5784509484767253
Energy: 0.481925218022902
Energy: 0.5784509484770238
Energy: 0.4819252180249913
Energy: 0.5784509484770238
Energy: 0.5935139721772805
Energy: 0.49273876818047546
Energy: 0.5935139721766836
Energy: 0.49273876818017703
Energy: 0.5935139721769821
Energy: 0.49273876817987855
Energy: 0.6378646072207624
Energy: 0.7320359115745931
Energy: 0.6378646072425508
Energy: 0.7320359112828257
Energy: 0.6378646072664013
Energy: 0.7320359113335385
Energy: 0.6382991471197753
Energy: 0.7855026717098498
Energy: 0.6382991471200737
Energy: 0.7855026896780856
Energy: 0.6382991471206707
Energy: 0.7855026925886504
Energy: 0.5911007651107388
Energy: 0.48949390702576684
Energy: 0.5911007651107388
Energy: 0.4894939070251699
Energy: 0.5911007651110374
Energy: 0.4894939070251699
Energy: 0.4593697655186304
Energy: 0.5729484443600792
Energy: 0.4593721823338517
Energy: 0.5729484443457526
Energy: 0.4593707893680603
Energy: 0.5729484443463496
Energy: 0.5645486205858039
Energy: 0.5983454988752999
Energy: 0.5645486205855056
Energy: 0.5983454988911188
Energy: 0.5645486205858039
Energy: 0.5983454988755984
Energy: 0.5466348929396583
Energy: 0.7660085294536838
Energy: 0.5466348929005859
Energy: 0.7660085294372951
Energy: 0.5466348930691397
Energy: 0.7660085294402799
Energy: 0.48471086134710845
Energy: 0.5939651325829735
Energy: 0.48471086134710845
Energy: 0.5939651325653638
Energy: 0.48471086134740693
Energy: 0.5939651325805857
Energy: 0.47405620169839435
Energy: 0.5014011855676916
Energy: 0.4740565274643594
Energy: 0.5014011855673931
Energy: 0.47405609156525985
Energy: 0.5014011855676916
Energy: 0.7209360813306585
Energy: 0.5660676696380186
Energy: 0.7209360813306585
Energy: 0.5660676696377203
Energy: 0.7209360813303599
Energy: 0.5660676696368248
Energy: 0.520497506659239
Energy: 0.5732546185875846
Energy: 0.5204975066675961
Energy: 0.573254618584003
Energy: 0.5204975066649099
Energy: 0.5732546185720642
Energy: 0.6093980256431469
Energy: 0.4730274271031468
Energy: 0.6093980256446393
Energy: 0.4730274270989683
Energy: 0.6093980256449377
Energy: 0.4730274270989683
Energy: 0.46765636879090083
Energy: 0.6319093379310898
Energy: 0.4676563687914978
Energy: 0.631909337929299
Energy: 0.4676563687911994
Energy: 0.6319093379278067
Energy: 0.7252658003588905
Energy: 0.5282549027585224
Energy: 0.7252658059566022
Energy: 0.5282549027579254
Energy: 0.7252658043554225
Energy: 0.5282549027582238
Energy: 0.43910730283707844
Energy: 0.6884350056383218
Energy: 0.4391073028373769
Energy: 0.6884350056284994
Energy: 0.4391073028373769
Energy: 0.6884350056436943

minimum gb energy = 0.43910730283707844 eV
minimum distance =  2.65144068324236 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.5140381625105285
Energy: 0.3526490089453618
Energy: 0.5140381625109139
Energy: 0.3526490089453618
Energy: 0.5140381625103246
Energy: 0.3526490089453618
Energy: 0.36555681371916454
Energy: 0.3197150289405429
Energy: 0.36555681377839544
Energy: 0.31971502894013487
Energy: 0.36555681382005883
Energy: 0.31971502894013487
Energy: 0.5236338858116565
Energy: 0.7818416116953755
Energy: 0.5264418024264824
Energy: 0.7818416116955794
Energy: 0.5264418024262782
Energy: 0.7818416116955794
Energy: 0.38277449688329956
Energy: 0.31963490440679027
Energy: 0.382774496953683
Energy: 0.31963490440679027
Energy: 0.3827744969138104
Energy: 0.31963490440679027
Energy: 0.5140381625101205
Energy: 0.3526490089451578
Energy: 0.5140381625099166
Energy: 0.3526490089451578
Energy: 0.5140381625089191
Energy: 0.35264900894495377
Energy: 0.3655568134952522
Energy: 0.3197150289403389
Energy: 0.36555681336566065
Energy: 0.3197150289403389
Energy: 0.36555681345696645
Energy: 0.3197150289405429
Energy: 0.44198919538853676
Energy: 0.7818416116951714
Energy: 0.4419891953893301
Energy: 0.7818416116957607
Energy: 0.4419891953901235
Energy: 0.7818416116953755

minimum gb energy = 0.31963490440679027 eV
minimum distance =  2.67642890975168 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.6376066454001543
Energy: 0.5680826913484455
Energy: 0.6146914298066698
Energy: 0.5680826913473597
Energy: 0.6376066452701529
Energy: 0.5680826913479026
Energy: 0.6094336655439573
Energy: 0.5797811535852421
Energy: 0.6094336655412428
Energy: 0.579780914112607
Energy: 0.6094336655423286
Energy: 0.5797812455466111
Energy: 0.5034054733863033
Energy: 0.6874942050864652
Energy: 0.5082899446235394
Energy: 0.6874942049950101
Energy: 0.5034054733846746
Energy: 0.6874942050498437
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Energy: 0.5366084109425706
Energy: 0.6138972350095128
Energy: 0.5366084111281951
Energy: 0.6138972291492372
Energy: 0.5366084088096408
Energy: 0.5705749252257705
Energy: 0.5648753642784566
Energy: 0.5705749252254743
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Energy: 0.5705749252260173
Energy: 0.5648753642768279
Energy: 0.5402912327997033
Energy: 0.667337365661611
Energy: 0.540291232801875
Energy: 0.667337351187934
Energy: 0.5402912328021711
Energy: 0.6673373678352587
Energy: 0.5854660308775942
Energy: 0.6887141560405982
Energy: 0.5958680593964316
Energy: 0.6887141784483036
Energy: 0.5854660309209774
Energy: 0.6887141664228368
Energy: 0.6299092342308473
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Energy: 0.6299092342300577
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Energy: 0.6299092342297616
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Energy: 0.5864316382284562
Energy: 0.5585236708895233
Energy: 0.5864316382279133
Energy: 0.5585236708889805
Energy: 0.5864316382289991
Energy: 0.5585236708887337
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Energy: 0.6538995626236894
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Energy: 0.6538995618189054
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Energy: 0.6538995625685599
Energy: 0.630998718239103
Energy: 0.6861160740571632
Energy: 0.6309987178101579
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Energy: 0.6309987172446966
Energy: 0.6861160737975062
Energy: 0.5790329338509258
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Energy: 0.5939698363123701
Energy: 0.5229354008447706
Energy: 0.5790329315592702
Energy: 0.5329702758893109
Energy: 0.6006128019497632
Energy: 0.5566454181293026
Energy: 0.6006128019510957
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Energy: 0.6006128019519348
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Energy: 0.5271839242154887
Energy: 0.682288257050359
Energy: 0.5271839206791964
Energy: 0.6822882570926563
Energy: 0.5271839210446707
Energy: 0.6822882570855985
Energy: 0.705171331191878
Energy: 0.5988940365503136
Energy: 0.7051713311948394
Energy: 0.5988940365511032
Energy: 0.7051713311980968
Energy: 0.5988940365497707
Energy: 0.6935029352341903
Energy: 0.5339876106100429
Energy: 0.6935029352328083
Energy: 0.5339876106097962
Energy: 0.6935029352328083
Energy: 0.5339876106192724
Energy: 0.5975338247223375
Energy: 0.5641916392345722
Energy: 0.5975338247220907
Energy: 0.5641916392400013
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Energy: 0.5641916392313642
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Energy: 0.6788734937175065
Energy: 0.5416826817165286
Energy: 0.6788724899552581
Energy: 0.5416826817159855
Energy: 0.6788754404540509
Energy: 0.6784348363340261
Energy: 0.5829553622148713
Energy: 0.6784348363345691
Energy: 0.5829553622186718
Energy: 0.6784348363378265
Energy: 0.5829553622186718
Energy: 0.5853055870046228
Energy: 0.5547761042370031
Energy: 0.5853055870027473
Energy: 0.5543255254204106
Energy: 0.5853055870067944
Energy: 0.5543255254209535
Energy: 0.5945377901138545
Energy: 0.6175497244145866
Energy: 0.5945580611228847
Energy: 0.6175497244297881
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Energy: 0.531910004605845
Energy: 0.6898220548883781
Energy: 0.5339703361496365
Energy: 0.689822054888082
Energy: 0.5319101281201715
Energy: 0.689822054888082
Energy: 0.6683970557064922
Energy: 0.5258627845366961
Energy: 0.6683970557048634
Energy: 0.5258627845350674
Energy: 0.6683970557054063
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Energy: 0.5631769179310244
Energy: 0.5666985886032624
Energy: 0.5631769179312711
Energy: 0.5666985886190067
Energy: 0.563176917931814
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Energy: 0.6161075175353928
Energy: 0.56306587223102
Energy: 0.6161075175361825
Energy: 0.5630658722315629
Energy: 0.6161075175364787
Energy: 0.5858750824825961
Energy: 0.6607341953622163
Energy: 0.6087560235045307
Energy: 0.6607343031734798
Energy: 0.5858161593087761
Energy: 0.6607342886237961
Energy: 0.6652443084331922
Energy: 0.5385691334067184
Energy: 0.665244308433735
Energy: 0.5385691334067184
Energy: 0.6652443084331922
Energy: 0.5385691334058794
Energy: 0.5665882528533097
Energy: 0.5615721132264408
Energy: 0.5665882528535566
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Energy: 0.5665882528530136
Energy: 0.5615721132280695
Energy: 0.5647931293848356
Energy: 0.5667307286294577
Energy: 0.5647931293850825
Energy: 0.5667307286253612
Energy: 0.5647931293848356
Energy: 0.5667307286275329
Energy: 0.7209145382175894
Energy: 0.6117774101978443
Energy: 0.7001057184625723
Energy: 0.6117774099259471
Energy: 0.7209145382175894
Energy: 0.6117774102575146
Energy: 0.7251416979160209
Energy: 0.5628578716683874
Energy: 0.713850082447152
Energy: 0.5632766762874641
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Energy: 0.5626921027685982
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Energy: 0.574315971141595
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Energy: 0.5743159711426807
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Energy: 0.5743159711429769
Energy: 0.5533254445633167
Energy: 0.5751038247569183
Energy: 0.553325444561145
Energy: 0.5751038247566715
Energy: 0.5533254445619347
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Energy: 0.7418331022844484
Energy: 0.532027091074144
Energy: 0.7418331022852874
Energy: 0.5320270910665434
Energy: 0.7418331022611035
Energy: 0.5320270910662473
Energy: 0.5503735535149552
Energy: 0.6392693310966275
Energy: 0.5503735534837628
Energy: 0.6392693307987203
Energy: 0.5503735534956574
Energy: 0.6392693308982694
Energy: 0.576400382717685
Energy: 0.6175584931409945
Energy: 0.5816405477323905
Energy: 0.6175584931388229
Energy: 0.5764003827168459
Energy: 0.6175584931402048
Energy: 0.5625338170495455
Energy: 0.5770580440448136
Energy: 0.5625670385135271
Energy: 0.5770580440288225
Energy: 0.5625338170487064
Energy: 0.5770580440659869
Energy: 0.7508627075752561
Energy: 0.49901781516375987
Energy: 0.7508627075747132
Energy: 0.4990178151643028
Energy: 0.7508627075744665
Energy: 0.4990178151643028
Energy: 0.5645279860128597
Energy: 0.7241400910567269
Energy: 0.5645279860128597
Energy: 0.7241400910545552
Energy: 0.5645279860134027
Energy: 0.7241400910559371
Energy: 0.5762047115529151
Energy: 0.6164775497987418
Energy: 0.5762047115532112
Energy: 0.6164775497887227
Energy: 0.5762047115396386
Energy: 0.6164775497773217
Energy: 0.5731952737292094
Energy: 0.6000042224934738
Energy: 0.5716578122303375
Energy: 0.6000042224921412
Energy: 0.5731952737216087
Energy: 0.6000042224923882
Energy: 0.7202712562436893
Energy: 0.4953042897183408
Energy: 0.7202712562276983
Energy: 0.49530425772715964
Energy: 0.720271256228488
Energy: 0.4953042881441108
Energy: 0.5439384825292998
Energy: 0.6955843805756033
Energy: 0.5439384825298427
Energy: 0.6955843805769852
Energy: 0.5439384825285101
Energy: 0.6955843805764425
Energy: 0.5827763188691707
Energy: 0.5767546196508394
Energy: 0.5827763188707994
Energy: 0.5767546196513822
Energy: 0.5827763188694669
Energy: 0.5767546196513822
Energy: 0.629670875409464
Energy: 0.5686570585524284
Energy: 0.629670875409464
Energy: 0.5686570585518855
Energy: 0.6296708754107966
Energy: 0.5686570585532675
Energy: 0.6722270789652333
Energy: 0.5992425460926168
Energy: 0.6722270778657993
Energy: 0.5992419365881241
Energy: 0.6722270780128775
Energy: 0.5992425488786625
Energy: 0.5054049164157232
Energy: 0.7551302098152459
Energy: 0.5057114999634599
Energy: 0.755130209814703
Energy: 0.5054049164157232
Energy: 0.755130209814703
Energy: 0.5720048973536344
Energy: 0.5724576147079643
Energy: 0.5720048973639495
Energy: 0.5724576147087539
Energy: 0.572004897328414
Energy: 0.5724576147087539
Energy: 0.5701375876393591
Energy: 0.5429047568431057
Energy: 0.5701375876363485
Energy: 0.5429047568531247
Energy: 0.5701375876368913
Energy: 0.5429047568452773
Energy: 0.6596740304120756
Energy: 0.720826216414437
Energy: 0.659674031522121
Energy: 0.7208307322908238
Energy: 0.6596740307699988
Energy: 0.7208396176139482
Energy: 0.5266567774282909
Energy: 0.6656472443151104
Energy: 0.5513287007590545
Energy: 0.6656472480578552
Energy: 0.5266567774692555
Energy: 0.6656472443747808

minimum gb energy = 0.49530425772715964 eV
minimum distance =  2.52255826782593 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.6230716119230032
Energy: 0.6467073935905706
Energy: 0.6230716119099635
Energy: 0.6467073935909432
Energy: 0.623071611895806
Energy: 0.6467073935909432
Energy: 0.4771910973179021
Energy: 0.520092212882129
Energy: 0.4771910974475211
Energy: 0.5200922133591827
Energy: 0.4771910974393247
Energy: 0.5200922125905457
Energy: 0.5073560043270279
Energy: 0.6000002038654398
Energy: 0.5073560043270279
Energy: 0.6000002045491658
Energy: 0.5073560043270279
Energy: 0.6000002061996321
Energy: 0.596190349478214
Energy: 0.566140022955139
Energy: 0.5961903491136415
Energy: 0.5661400229011507
Energy: 0.5961903494968424
Energy: 0.5661400227473489
Energy: 0.6066881526081634
Energy: 0.5557728554998541
Energy: 0.6066881526081634
Energy: 0.5557728554998541
Energy: 0.6066881526077909
Energy: 0.5557728554998541
Energy: 0.5346396272326548
Energy: 0.6442593895388892
Energy: 0.5346396271820197
Energy: 0.6442593895388892
Energy: 0.5346396272099283
Energy: 0.6442593895340459
Energy: 0.5671522577183921
Energy: 0.6500373959225881
Energy: 0.5671522577436926
Energy: 0.6500373959218431
Energy: 0.5671522577247257
Energy: 0.6500373959214705
Energy: 0.5815283368830197
Energy: 0.6393353214372696
Energy: 0.5815283368830197
Energy: 0.6393353214368969
Energy: 0.5815283368830197
Energy: 0.6393353214361518
Energy: 0.5479101486806957
Energy: 0.5411920536361513
Energy: 0.5479101486803232
Energy: 0.5411920536365238
Energy: 0.5479101486743619
Energy: 0.5411920536361513
Energy: 0.4978776686895697
Energy: 0.7032721715768553
Energy: 0.4978776686899423
Energy: 0.7032721715541626
Energy: 0.4978776686895697
Energy: 0.7032721715824437
Energy: 0.5904227971406398
Energy: 0.6903116046062417
Energy: 0.5904227794687282
Energy: 0.6903116046173847
Energy: 0.590422870385815
Energy: 0.6903116046166397
Energy: 0.5914383701115593
Energy: 0.5460050455597698
Energy: 0.5914383701111868
Energy: 0.5460050455597698
Energy: 0.5914383701115593
Energy: 0.5460050455597698
Energy: 0.5718217243623552
Energy: 0.5818236211732924
Energy: 0.5718217243623552
Energy: 0.5818236211751552
Energy: 0.57182172436161
Energy: 0.5818236211762728
Energy: 0.5865083783483476
Energy: 0.7457472105982041
Energy: 0.5865083783464848
Energy: 0.7457472105985767
Energy: 0.5865083783476025
Energy: 0.7457472105985767
Energy: 0.7565507556570672
Energy: 0.5519873300983322
Energy: 0.7565507556615378
Energy: 0.5519873300987049
Energy: 0.7565507556578123
Energy: 0.5519873300983322
Energy: 0.5800946619096738
Energy: 0.49910723757040165
Energy: 0.5800946619167525
Energy: 0.4991072375692839
Energy: 0.5800946619245764
Energy: 0.49910723756965647
Energy: 0.5944942729333441
Energy: 0.5963899031214962
Energy: 0.594494272935207
Energy: 0.5963899031214962
Energy: 0.5944942729322265
Energy: 0.5963899031233589
Energy: 0.5274369996711591
Energy: 0.6087372840226474
Energy: 0.5274369996707865
Energy: 0.6087372814367021
Energy: 0.5274369996707865
Energy: 0.6087372818683028
Energy: 0.5936897937781931
Energy: 0.5231659685321746
Energy: 0.593689793761055
Energy: 0.5231659685336649
Energy: 0.5936897937621728
Energy: 0.5231659685332922
Energy: 0.549262022642637
Energy: 0.5568947866467978
Energy: 0.5492620226694619
Energy: 0.5568947869558918
Energy: 0.549262022642637
Energy: 0.5568947868393126
Energy: 0.5703421194604023
Energy: 0.5635049053896067
Energy: 0.5703421194592845
Energy: 0.5635049053884891
Energy: 0.5703421194600298
Energy: 0.5635049053877439
Energy: 0.6230404803579233
Energy: 0.6231366653410338
Energy: 0.6230404803653746
Energy: 0.6231366628679086
Energy: 0.6230404803631392
Energy: 0.6231366659863855
Energy: 0.7033817565520373
Energy: 0.5971345845786242
Energy: 0.7033817565579984
Energy: 0.597134584588311
Energy: 0.7033817565516647
Energy: 0.5971345845816047
Energy: 0.5719892753735808
Energy: 0.5854435645635019
Energy: 0.5719892753735808
Energy: 0.5854435645638744
Energy: 0.5719892753732082
Energy: 0.5854435645635019
Energy: 0.5397363402599952
Energy: 0.5530862825054212
Energy: 0.5397363402637209
Energy: 0.553086282515853
Energy: 0.5397363402652111
Energy: 0.5530862825046761
Energy: 0.6777222805939144
Energy: 0.5877564809697658
Energy: 0.6777222805935418
Energy: 0.5877564810263619
Energy: 0.6777222805939144
Energy: 0.5877564809667853
Energy: 0.5279213266846647
Energy: 0.5455197842659872
Energy: 0.527921326686155
Energy: 0.5457044317270405
Energy: 0.5279213266850372
Energy: 0.5459551681281658
Energy: 0.6013876155758983
Energy: 0.6289798988218791
Energy: 0.6013876155758983
Energy: 0.6289798988222517
Energy: 0.6013876155758983
Energy: 0.6289798988222517
Energy: 0.540708495828992
Energy: 0.5633963332179142
Energy: 0.5407084958193052
Energy: 0.5633963332175417
Energy: 0.5407084958163249
Energy: 0.5633963332175417
Energy: 0.6835706150998414
Energy: 0.5355333962114557
Energy: 0.6835706150998414
Energy: 0.5355333962114557
Energy: 0.6835706150998414
Energy: 0.5355333962118283
Energy: 0.57376242624083
Energy: 0.7178863005548641
Energy: 0.5737624261864693
Energy: 0.7178863005563543
Energy: 0.5737624262352414
Energy: 0.717886300557472
Energy: 0.5046549315380521
Energy: 0.5778243093395646
Energy: 0.504654931534699
Energy: 0.5778243093418
Energy: 0.5046549315387971
Energy: 0.5778243093533496
Energy: 0.5728303681939538
Energy: 0.5656229001357702
Energy: 0.5728303687875526
Energy: 0.5656229001365154
Energy: 0.5728303681906006
Energy: 0.5656229001372605
Energy: 0.6701242242029264
Energy: 0.5172836013027055
Energy: 0.670124224203299
Energy: 0.5172836013023329
Energy: 0.670124224203299
Energy: 0.5172836013027055
Energy: 0.500832212870925
Energy: 0.7298508535132703
Energy: 0.500832212870925
Energy: 0.7298508535128977
Energy: 0.5008322128712639
Energy: 0.7298508535132703
Energy: 0.5495712839250246
Energy: 0.5463103742750847
Energy: 0.5495712839250246
Energy: 0.5463103742750847
Energy: 0.5495712839253972
Energy: 0.5463103742754573
Energy: 0.5501126779599491
Energy: 0.5609835406741215
Energy: 0.5501126739719037
Energy: 0.5609835406726312
Energy: 0.5501126786589163
Energy: 0.5609835406748667
Energy: 0.7149309383131223
Energy: 0.6114121060266667
Energy: 0.7149309383123771
Energy: 0.6114121060352358
Energy: 0.7149309383127499
Energy: 0.6114121060240588

minimum gb energy = 0.4771910973179021 eV
minimum distance =  2.52260443238255 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.6214174657844266
Energy: 0.5516896247129733
Energy: 0.6214174657830746
Energy: 0.5516896247129733
Energy: 0.621417465785342
Energy: 0.5516896247129733
Energy: 0.5738095107466337
Energy: 0.5752798171908479
Energy: 0.5738069431809434
Energy: 0.5752798171913055
Energy: 0.5738079642172137
Energy: 0.5752798171908479
Energy: 0.48100082870700855
Energy: 0.7079838158489511
Energy: 0.4810008287079238
Energy: 0.7079838167436807
Energy: 0.4810008287079238
Energy: 0.70798381586268
Energy: 0.599868150253349
Energy: 0.5336534716734226
Energy: 0.599868145221205
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Energy: 0.5998681404785954
Energy: 0.5336534716738801
Energy: 0.5578389514879529
Energy: 0.5475127015738371
Energy: 0.5578389514879529
Energy: 0.5475127015738371
Energy: 0.5578389514884105
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Energy: 0.4966259125292241
Energy: 0.6183643663195089
Energy: 0.49662590880621466
Energy: 0.6183643663085258
Energy: 0.4966259124349938
Energy: 0.6183643663163054
Energy: 0.6277485395220186
Energy: 0.652855022530192
Energy: 0.6277485395224763
Energy: 0.6528642603388284
Energy: 0.6277485395220186
Energy: 0.6528532461217125
Energy: 0.573634038959358
Energy: 0.49198960447145357
Energy: 0.573634038917277
Energy: 0.49198960447145357
Energy: 0.5736340389996089
Energy: 0.49198960447145357
Energy: 0.5627686553132708
Energy: 0.5549332010884221
Energy: 0.5627686553128132
Energy: 0.5549332010884221
Energy: 0.5627686553132708
Energy: 0.5549332010884221
Energy: 0.5117143654937538
Energy: 0.6386650789907293
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Energy: 0.6386650771550912
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Energy: 0.6386650775461779
Energy: 0.6377293008612083
Energy: 0.5587826080623719
Energy: 0.6377295907510507
Energy: 0.5587826080381382
Energy: 0.6377297282403639
Energy: 0.5587826080728974
Energy: 0.5769828274195701
Energy: 0.556346164772156
Energy: 0.5769828274181971
Energy: 0.556346164772156
Energy: 0.5769828274177394
Energy: 0.556346164772156
Energy: 0.5499704853293349
Energy: 0.5955402630336112
Energy: 0.5499704853398395
Energy: 0.5955402630967432
Energy: 0.5499704853361993
Energy: 0.5955402630189877
Energy: 0.5533436984702131
Energy: 0.6632950278611717
Energy: 0.5533438085317475
Energy: 0.6632950282499702
Energy: 0.5533436620224172
Energy: 0.663295027781107
Energy: 0.5985951890415478
Energy: 0.5078850021214101
Energy: 0.598595189168249
Energy: 0.5078850021209526
Energy: 0.5985951892537843
Energy: 0.5078850021209526
Energy: 0.5499387734893413
Energy: 0.5705775467810515
Energy: 0.5499387734893413
Energy: 0.5705775467810515
Energy: 0.5499387734893413
Energy: 0.5705775467810515
Energy: 0.5452375069833237
Energy: 0.5580665789513533
Energy: 0.5452375069837815
Energy: 0.5580665789627732
Energy: 0.5452375069833237
Energy: 0.5580665789641461
Energy: 0.6952573630169285
Energy: 0.5514861176595738
Energy: 0.6952573629995595
Energy: 0.5514860036088347
Energy: 0.6952573629853729
Energy: 0.5514860135949303
Energy: 0.7018548790890398
Energy: 0.5167683393570947
Energy: 0.7018547952929861
Energy: 0.5167683291409151
Energy: 0.7018548381543454
Energy: 0.516768336139101
Energy: 0.546673307973056
Energy: 0.5535044362544951
Energy: 0.5466733079927133
Energy: 0.5535044362572201
Energy: 0.5466733079872425
Energy: 0.553504436260881
Energy: 0.5497317164360507
Energy: 0.6001314928284683
Energy: 0.5497317168513917
Energy: 0.6001314928284683
Energy: 0.5497317163029426
Energy: 0.600131492828926
Energy: 0.6794932852655574
Energy: 0.4950304271745835
Energy: 0.6794932852673878
Energy: 0.4950304271745835
Energy: 0.6794932852669303
Energy: 0.49503042717504114
Energy: 0.5334437049657156
Energy: 0.5965634328368441
Energy: 0.5334430600863783
Energy: 0.5965634068961557
Energy: 0.5334436888395739
Energy: 0.5965634338317531
Energy: 0.5525182866209843
Energy: 0.5865543440975522
Energy: 0.5525182866209843
Energy: 0.5865543443774971
Energy: 0.5525182866209843
Energy: 0.5865543443710902
Energy: 0.5804107246499352
Energy: 0.5195274682383625
Energy: 0.5804105803399343
Energy: 0.5195274682758674
Energy: 0.5804106852778196
Energy: 0.5195274680078
Energy: 0.6778260131916732
Energy: 0.5302942828632644
Energy: 0.6778260132031141
Energy: 0.5302942828628069
Energy: 0.6778260131724736
Energy: 0.5302942828628069
Energy: 0.5310123422813369
Energy: 0.5989691436979329
Energy: 0.5310123422817946
Energy: 0.5989691436979329
Energy: 0.5310123422813369
Energy: 0.5989691436979329
Energy: 0.5496275249525596
Energy: 0.56616907904695
Energy: 0.5496275249525596
Energy: 0.5661690790464923
Energy: 0.5496275249539118
Energy: 0.5661690790464923
Energy: 0.5768223368201977
Energy: 0.487532200291497
Energy: 0.576822336821113
Energy: 0.48753220029103944
Energy: 0.576822336821113
Energy: 0.487532200291497
Energy: 0.6445525059300482
Energy: 0.6437244328320154
Energy: 0.6523225659773854
Energy: 0.643724436451642
Energy: 0.6524981212640658
Energy: 0.6437244344165394
Energy: 0.5053299461187073
Energy: 0.6050592694999636
Energy: 0.505329946117792
Energy: 0.6050592654750638
Energy: 0.505329946117792
Energy: 0.6050592698398373

minimum gb energy = 0.48100082870700855 eV
minimum distance =  2.4916786457716 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.5562132358003083
Energy: 0.5183876187388472
Energy: 0.5562132357991232
Energy: 0.5183876187293667
Energy: 0.5562132357979382
Energy: 0.5183876187382547
Energy: 0.5271509993067034
Energy: 0.539092933233543
Energy: 0.5271509993072959
Energy: 0.539092933233543
Energy: 0.5271509993072959
Energy: 0.5390929332376907
Energy: 0.5181192957919813
Energy: 0.6281115768403609
Energy: 0.5181192957919813
Energy: 0.6281115768196223
Energy: 0.5181192957919813
Energy: 0.6281115768409534
Energy: 0.6761386757564622
Energy: 0.5178983439013686
Energy: 0.6761386757564622
Energy: 0.5178983438954432
Energy: 0.6761386757582398
Energy: 0.5178983438984058
Energy: 0.6071843857359882
Energy: 0.5255360025244632
Energy: 0.6071843857359882
Energy: 0.5255360025250557
Energy: 0.6071843857359882
Energy: 0.5255360025292034
Energy: 0.5185329228009291
Energy: 0.542026312478915
Energy: 0.5185329228009291
Energy: 0.5420263124185036
Energy: 0.5185329228009291
Energy: 0.5420263124321318
Energy: 0.6389652421520305
Energy: 0.5992196462588522
Energy: 0.6389652421520305
Energy: 0.5992196462594448
Energy: 0.6389652421520305
Energy: 0.5992196462594448
Energy: 0.5451506385786964
Energy: 0.5218658264857235
Energy: 0.545150638571586
Energy: 0.5218658264875011
Energy: 0.5451506385763262
Energy: 0.5218658264845385
Energy: 0.588504029142037
Energy: 0.5265396680466053
Energy: 0.588504029142037
Energy: 0.5265396680466053
Energy: 0.588504029142037
Energy: 0.5265396680466053
Energy: 0.5988004780231329
Energy: 0.6124774573644893
Energy: 0.5988004780231329
Energy: 0.5648273821785186
Energy: 0.5988004780231329
Energy: 0.5648273821802692
Energy: 0.6739515115365198
Energy: 0.5888288692757814
Energy: 0.6739515115193364
Energy: 0.5888288692757814
Energy: 0.673951511532372
Energy: 0.5888288692751887
Energy: 0.5824688114689361
Energy: 0.5357127687731899
Energy: 0.5824688114689361
Energy: 0.5357127687731899
Energy: 0.5824688114695287
Energy: 0.5357127687731899
Energy: 0.47742493563268124
Energy: 0.527160131219952
Energy: 0.47742493563268124
Energy: 0.5271601312146191
Energy: 0.4774249356332737
Energy: 0.527160131221137
Energy: 0.6706905160675561
Energy: 0.5088026059961664
Energy: 0.6706905160657786
Energy: 0.5088026059943889
Energy: 0.6706905160669636
Energy: 0.5088026059961664
Energy: 0.6557711613971735
Energy: 0.48552682932251445
Energy: 0.6557711613888781
Energy: 0.4855268293598172
Energy: 0.6557711614013213
Energy: 0.4855268293527068
Energy: 0.5965078368556985
Energy: 0.5287008935322506
Energy: 0.596507836856291
Energy: 0.5287008935322506
Energy: 0.596507836855106
Energy: 0.5287008935322506
Energy: 0.4365125644646695
Energy: 0.5772068551095866
Energy: 0.4365125644640771
Energy: 0.5772068548554975
Energy: 0.4365125644646695
Energy: 0.5772068548157977
Energy: 0.6426738450603392
Energy: 0.5741805632932441
Energy: 0.6426738452492765
Energy: 0.5741805632932441
Energy: 0.642673845240981
Energy: 0.5741805632932441
Energy: 0.43666165078110497
Energy: 0.5749026114687669
Energy: 0.4366616507805124
Energy: 0.5715405145506045
Energy: 0.4366616507816975
Energy: 0.5635592800322784
Energy: 0.5932529915069759
Energy: 0.5291261014476671
Energy: 0.5932529915069759
Energy: 0.5291261014476671
Energy: 0.5932529915063832
Energy: 0.5291261014476671
Energy: 0.6524094163680093
Energy: 0.4890335454566301
Energy: 0.6524094163650466
Energy: 0.4890335454566301
Energy: 0.6524094163656391
Energy: 0.4890335454572226
Energy: 0.6774676048464746
Energy: 0.6212643392848113
Energy: 0.6774676048464746
Energy: 0.6212643392859963
Energy: 0.6774676048464746
Energy: 0.6212643392859963
Energy: 0.4739559524039969
Energy: 0.5271502233795458
Energy: 0.47395595240695954
Energy: 0.5271502233795458
Energy: 0.4739559524022193
Energy: 0.5271502233777682
Energy: 0.5821464790200398
Energy: 0.5380318841067143
Energy: 0.5821464790188546
Energy: 0.5380318841061217
Energy: 0.582146479040186
Energy: 0.5380318841061217

minimum gb energy = 0.4365125644640771 eV
minimum distance =  2.58387356447675 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.5758863855755894
Energy: 0.5156580791115944
Energy: 0.5758863855747514
Energy: 0.5156580739076195
Energy: 0.5758863855755894
Energy: 0.5156580797297485
Energy: 0.5468345976646456
Energy: 0.6382830081713925
Energy: 0.5468345976671596
Energy: 0.6382830081253233
Energy: 0.5468345976696735
Energy: 0.6382830081747445
Energy: 0.4732278932053084
Energy: 0.7312635080091487
Energy: 0.4732278932053084
Energy: 0.7312635080166905
Energy: 0.4732278932053084
Energy: 0.7312635080091487
Energy: 0.5282956646350069
Energy: 0.525697383341333
Energy: 0.5282956646350069
Energy: 0.5256973838907927
Energy: 0.5282956646350069
Energy: 0.5256973829468212
Energy: 0.5387248263873508
Energy: 0.5397674426251969
Energy: 0.5387248263865128
Energy: 0.5397674426251969
Energy: 0.5387248263865128
Energy: 0.5397674426251969
Energy: 0.5521764741124873
Energy: 0.6613227691597142
Energy: 0.5521764741133253
Energy: 0.6613227691521726
Energy: 0.5521764741133253
Energy: 0.6613227691538485
Energy: 0.6031478790079516
Energy: 0.6018320982480636
Energy: 0.6031478427190774
Energy: 0.6018320982480636
Energy: 0.6031489896273752
Energy: 0.6018320982455496
Energy: 0.5274266747664235
Energy: 0.534951921760362
Energy: 0.5274266747689375
Energy: 0.534951921760362
Energy: 0.5274266747664235
Energy: 0.534951921760362
Energy: 0.46778880651323246
Energy: 0.5541647871499316
Energy: 0.46778880651323246
Energy: 0.5541647871499316
Energy: 0.46778880651323246
Energy: 0.5541647871499316
Energy: 0.5907403891555161
Energy: 0.621694360870017
Energy: 0.590740389158868
Energy: 0.6216948407198349
Energy: 0.59074038915803
Energy: 0.6216950873141067
Energy: 0.5769541357537441
Energy: 0.5104000255754119
Energy: 0.5769541414242771
Energy: 0.5104000255754119
Energy: 0.5769541364707406
Energy: 0.5104000255754119
Energy: 0.5311753856777798
Energy: 0.5287641440502652
Energy: 0.5311753856777798
Energy: 0.5287641440494274
Energy: 0.5311753856777798
Energy: 0.5287641440502652
Energy: 0.541491569942157
Energy: 0.583620694805793
Energy: 0.5414915698818613
Energy: 0.583620694805793
Energy: 0.5414915700317815
Energy: 0.583620694805793
Energy: 0.6466824826587944
Energy: 0.48819669091776474
Energy: 0.6466824826571184
Energy: 0.48819669091776474
Energy: 0.6466824826529285
Energy: 0.48819669091776474
Energy: 0.5336459648346457
Energy: 0.540583852198675
Energy: 0.5336459648346457
Energy: 0.540583852198675
Energy: 0.5336459648346457
Energy: 0.540583852198675
Energy: 0.5708500893804306
Energy: 0.5971111791065714
Energy: 0.5708500893804306
Energy: 0.5971111791065714
Energy: 0.5708500893804306
Energy: 0.5971111791074094
Energy: 0.5714436831170078
Energy: 0.49587594315205696
Energy: 0.5714436831128179
Energy: 0.49587594315205696
Energy: 0.5714436831136559
Energy: 0.49587594315205696

minimum gb energy = 0.46778880651323246 eV
minimum distance =  2.61233300995552 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.5391496850625387
Energy: 0.5984905709237569
Energy: 0.5391496850515365
Energy: 0.5984905709227861
Energy: 0.5391496850618915
Energy: 0.5984905709066358
Energy: 0.5103479429651059
Energy: 0.5679307743076826
Energy: 0.5103479429321286
Energy: 0.5679307743093005
Energy: 0.5103479429903461
Energy: 0.5679307743093005
Energy: 0.4433534495209671
Energy: 0.541510412851424
Energy: 0.4433534495206435
Energy: 0.5415104161370449
Energy: 0.4433534495206435
Energy: 0.5415104119858702
Energy: 0.5026236029304157
Energy: 0.48732308754802417
Energy: 0.5026236029443303
Energy: 0.48732308754802417
Energy: 0.5026236029355934
Energy: 0.487323087548995
Energy: 0.543466853068201
Energy: 0.636103402242397
Energy: 0.5434668530678775
Energy: 0.6361034022427207
Energy: 0.543466853068201
Energy: 0.636103402242397
Energy: 0.458280121821654
Energy: 0.532229902763259
Energy: 0.458280121821654
Energy: 0.5322299027490208
Energy: 0.45828012182197764
Energy: 0.5322299027635826
Energy: 0.5828211372864889
Energy: 0.5166752374068747
Energy: 0.5828211372767811
Energy: 0.5166752374065511
Energy: 0.5828211372861652
Energy: 0.5166752374068747
Energy: 0.5133524629320158
Energy: 0.6164287558958124
Energy: 0.5133524629307216
Energy: 0.6164287559378502
Energy: 0.5133524629316922
Energy: 0.6164287558725137
Energy: 0.5303150330655352
Energy: 0.7012548085025438
Energy: 0.5303150330690947
Energy: 0.7012548084983371
Energy: 0.5303150330671531
Energy: 0.7012548085073976
Energy: 0.575953401167593
Energy: 0.483191137924363
Energy: 0.5759534011740648
Energy: 0.48319113792468665
Energy: 0.5759534011646806
Energy: 0.48319113792468665
Energy: 0.5060264130542728
Energy: 0.5069140850409876
Energy: 0.5060264130458594
Energy: 0.5069140850354865
Energy: 0.5060264130571851
Energy: 0.5069140850312797
Energy: 0.45049256897718826
Energy: 0.5295638879538884
Energy: 0.45049256933328813
Energy: 0.5295638877643509
Energy: 0.45049256890602707
Energy: 0.5295638876327071
Energy: 0.5503656587393696
Energy: 0.5917135908188899
Energy: 0.550365657858607
Energy: 0.5917135908185662
Energy: 0.5503656592510591
Energy: 0.5917135908188899
Energy: 0.5420347544278256
Energy: 0.5176155806387548
Energy: 0.5420143145691955
Energy: 0.5176155790509405
Energy: 0.542037764552872
Energy: 0.5176155837341616
Energy: 0.5105984787621944
Energy: 0.6199375927589961
Energy: 0.5105984787605765
Energy: 0.6199375794978712
Energy: 0.5105984787609001
Energy: 0.6199375931374239
Energy: 0.5336437346136321
Energy: 0.5318601833796637
Energy: 0.5336437343619941
Energy: 0.5318601833796637
Energy: 0.533643733679506
Energy: 0.5318601833796637
Energy: 0.6294501145670859
Energy: 0.44449866206676275
Energy: 0.6294501145706454
Energy: 0.44449866206676275
Energy: 0.6294501145651443
Energy: 0.44449866206643923
Energy: 0.5057806001472185
Energy: 0.5593365320419581
Energy: 0.5057806001433353
Energy: 0.5593365320578141
Energy: 0.5057806001488364
Energy: 0.5593365320723463
Energy: 0.5432629587467711
Energy: 0.6161078875039826
Energy: 0.5432629587386812
Energy: 0.6161078874719763
Energy: 0.5432629587296501
Energy: 0.6161078871278198
Energy: 0.5365795326612877
Energy: 0.4498706021507085
Energy: 0.5365795326612877
Energy: 0.4544227468958551
Energy: 0.5365795326564338
Energy: 0.454422746895208
Energy: 0.5375409445935327
Energy: 0.6231796746402064
Energy: 0.5375409446022698
Energy: 0.6231796745169762
Energy: 0.5375409445932091
Energy: 0.6231796752709196
Energy: 0.5166972646817405
Energy: 0.5081242164654567
Energy: 0.5166972646810933
Energy: 0.5081242167701642
Energy: 0.5166972646810933
Energy: 0.5081242167944042
Energy: 0.606336759266191
Energy: 0.44436594845518146
Energy: 0.6063337801027435
Energy: 0.444365948454858
Energy: 0.6063356513895204
Energy: 0.44436594845518146
Energy: 0.4941620640255082
Energy: 0.5757603929562657
Energy: 0.49416206218573233
Energy: 0.5757604490337183
Energy: 0.4941620639245765
Energy: 0.5757602504585014
Energy: 0.5080223702645784
Energy: 0.6492880240291472
Energy: 0.5080223702235114
Energy: 0.6492880240285
Energy: 0.5080223705369263
Energy: 0.6492880240291472
Energy: 0.5415765868941863
Energy: 0.5502971275154781
Energy: 0.5416099247717356
Energy: 0.5502971275154781
Energy: 0.5415964522888448
Energy: 0.5502971275135365
Energy: 0.5516549849468702
Energy: 0.5905462465210193
Energy: 0.5516550052621266
Energy: 0.5905462465239316
Energy: 0.551654977494601
Energy: 0.590546246523608
Energy: 0.4510159351499932
Energy: 0.6521459579232093
Energy: 0.45101593515128763
Energy: 0.6521459579225621
Energy: 0.4510159351506405
Energy: 0.6521459579228858
Energy: 0.5094396678047881
Energy: 0.5980114151617985
Energy: 0.5094396678044645
Energy: 0.598011415181832
Energy: 0.5094396678047881
Energy: 0.5980114150240066
Energy: 0.5409923368125781
Energy: 0.45951016099590064
Energy: 0.5409923368119309
Energy: 0.45951016099298825
Energy: 0.5409923368138725
Energy: 0.45951016099298825
Energy: 0.501697641102864
Energy: 0.6972860958376231
Energy: 0.5016976411018932
Energy: 0.697286095840859
Energy: 0.5016976411025403
Energy: 0.6972860958402118
Energy: 0.5137833873564779
Energy: 0.594200219879922
Energy: 0.5137833873532713
Energy: 0.5942006122630004
Energy: 0.5137833873561543
Energy: 0.5942004882077102
Energy: 0.5730956037674009
Energy: 0.518613363194367
Energy: 0.5730956037667537
Energy: 0.518613363194367
Energy: 0.5730956037674009
Energy: 0.518613363194367
Energy: 0.45834894267122567
Energy: 0.5712954540773
Energy: 0.45834894267025483
Energy: 0.5712954402378547
Energy: 0.4583489426709021
Energy: 0.5712954475452129
Energy: 0.5452014476829965
Energy: 0.6556848251436778
Energy: 0.5452014476749067
Energy: 0.6556848251440014
Energy: 0.5452014476092466
Energy: 0.6556848251436778
Energy: 0.49960603854410873
Energy: 0.46979178946378003
Energy: 0.4996060386155935
Energy: 0.4697917894631328
Energy: 0.49960603859750163
Energy: 0.46979178946378003
Energy: 0.4431159675100707
Energy: 0.5453516297092296
Energy: 0.4431159675110121
Energy: 0.5453516297092296
Energy: 0.4431159675110121
Energy: 0.5453516297089059
Energy: 0.5202408067735034
Energy: 0.614663428787019
Energy: 0.5202408068061863
Energy: 0.6146634287873424
Energy: 0.5202408067997144
Energy: 0.614663428785401
Energy: 0.5391496850405344
Energy: 0.5984905709092245
Energy: 0.5391496850418287
Energy: 0.5984905709095482
Energy: 0.5391496850402109
Energy: 0.5984905709082539
Energy: 0.5103479429580162
Energy: 0.567930774314478
Energy: 0.5103479429318051
Energy: 0.5679307743148015
Energy: 0.5103479429308344
Energy: 0.5679307743151252
Energy: 0.44335344952193784
Energy: 0.5415104161619322
Energy: 0.4433534495212907
Energy: 0.5415104166328784
Energy: 0.44335344952226147
Energy: 0.5415104205689516
Energy: 0.5026236007157421
Energy: 0.5443509358680464
Energy: 0.5026236006542888
Energy: 0.5443509358673994
Energy: 0.5026236006737044
Energy: 0.5443509358680464
Energy: 0.5434668530688482
Energy: 0.6361034022427207
Energy: 0.5434668530688482
Energy: 0.636103402242397
Energy: 0.5434668530685246
Energy: 0.636103402242397

minimum gb energy = 0.4431159675100707 eV
minimum distance =  2.55809118345746 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.559971113893659
Energy: 0.568213317602929
Energy: 0.5599711138984009
Energy: 0.5682133166160207
Energy: 0.5599711138962934
Energy: 0.5682133198380818
Energy: 0.5761220601991821
Energy: 0.5099480266801582
Energy: 0.5761220601986553
Energy: 0.5099480266743623
Energy: 0.5761220601986553
Energy: 0.5099480266638247
Energy: 0.4894005088903073
Energy: 0.5058749811117121
Energy: 0.4894005088903073
Energy: 0.5058749811059163
Energy: 0.4894005088908342
Energy: 0.5058749811096046
Energy: 0.5734268664246146
Energy: 0.46558887542013266
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Energy: 0.5734268664246146
Energy: 0.46558887542118643
Energy: 0.5309071070273601
Energy: 0.5186651512106777
Energy: 0.5309071069999619
Energy: 0.5186651512106777
Energy: 0.530907106956805
Energy: 0.5186651512106777
Energy: 0.42378029575923104
Energy: 0.5120579280861055
Energy: 0.42378029575923104
Energy: 0.5120579280882132
Energy: 0.42378029575875203
Energy: 0.5120579280866324
Energy: 0.47377478564795206
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Energy: 0.4824348687582536
Energy: 0.5527206966139285
Energy: 0.5496070937149266
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Energy: 0.5496070937238837
Energy: 0.5527206966977036
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Energy: 0.5633961743072909
Energy: 0.45837935460251455
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Energy: 0.6213970183003773
Energy: 0.4715522000645665
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Energy: 0.5627053525790875
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Energy: 0.5419084864254011
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Energy: 0.5270759859828655
Energy: 0.6016112902174714
Energy: 0.5270759859854999
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Energy: 0.5939362933466515
Energy: 0.5299401274034178
Energy: 0.5939362934129915
Energy: 0.529940127397622
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Energy: 0.6189255440148367
Energy: 0.5126674571022282
Energy: 0.6189255440143099
Energy: 0.5126674571106105
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Energy: 0.5126674571038087
Energy: 0.5543390413629563
Energy: 0.5883417954428855
Energy: 0.5543390413508379
Energy: 0.5883417954381435
Energy: 0.5543390413761285
Energy: 0.5883417954407779
Energy: 0.5836811660098821
Energy: 0.5675709349130347
Energy: 0.5836811660104089
Energy: 0.5673748216314418
Energy: 0.5836811660109358
Energy: 0.5673747546442519
Energy: 0.615626008746344
Energy: 0.4394849971055199
Energy: 0.6156260087458172
Energy: 0.4394849971060468
Energy: 0.6156260087447635
Energy: 0.4394849971060468
Energy: 0.5914453073411339
Energy: 0.5586026302863514
Energy: 0.5914453073411339
Energy: 0.5586026302868783
Energy: 0.5914453073416609
Energy: 0.5586026302863514
Energy: 0.5818626966971648
Energy: 0.5789241964526886
Energy: 0.5818626966961111
Energy: 0.5789241964547959
Energy: 0.5818626966955841
Energy: 0.5789241964542691
Energy: 0.6184279942534904
Energy: 0.4163970797817265
Energy: 0.6184279945236401
Energy: 0.41639707978225343
Energy: 0.618427994255071
Energy: 0.4163970797817265
Energy: 0.5830230510333357
Energy: 0.602498588389206
Energy: 0.5830230514799449
Energy: 0.6024985884050127
Energy: 0.5830230510533576
Energy: 0.6024985883902598
Energy: 0.6021465090600714
Energy: 0.5414730532148415
Energy: 0.6021465090648133
Energy: 0.5414730532153684
Energy: 0.6021465090642865
Energy: 0.5414730532074651
Energy: 0.6278519453526221
Energy: 0.4165805671093266
Energy: 0.627851945343138
Energy: 0.41658056710985353
Energy: 0.6278519453489338
Energy: 0.4165805671093266
Energy: 0.551857338597714
Energy: 0.5774605051465683
Energy: 0.551857338597714
Energy: 0.577460505138665
Energy: 0.5518573385982409
Energy: 0.5774605051497297

minimum gb energy = 0.4163970797817265 eV
minimum distance =  2.55125225410532 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.6277029426035559
Energy: 0.6059786367147167
Energy: 0.6277029425394807
Energy: 0.6059786367147167
Energy: 0.6277029426411773
Energy: 0.6059786367143327
Energy: 0.5504724426332374
Energy: 0.45578713172763774
Energy: 0.5504724426332374
Energy: 0.45579265256521906
Energy: 0.5504724426336212
Energy: 0.45578696835948673
Energy: 0.4202143785477178
Energy: 0.5487373624400259
Energy: 0.4202143779376079
Energy: 0.548737362576622
Energy: 0.42021437855846683
Energy: 0.5487373624603723
Energy: 0.4897336897122554
Energy: 0.48728908652142927
Energy: 0.48973360166493446
Energy: 0.48728909042617463
Energy: 0.4897337581211006
Energy: 0.48728909021705796
Energy: 0.5235111137159578
Energy: 0.46995223188773727
Energy: 0.5235438042797711
Energy: 0.4699522318869695
Energy: 0.5066140040969964
Energy: 0.46995223189426344
Energy: 0.3657742343740116
Energy: 0.49431289856954314
Energy: 0.3657742343709405
Energy: 0.49431289828483455
Energy: 0.3657742343740116
Energy: 0.4943128981509258
Energy: 0.47738363844471277
Energy: 0.4687175856055603
Energy: 0.47738363846429127
Energy: 0.46871758436921696
Energy: 0.4773836384282054
Energy: 0.46871758175836387
Energy: 0.5426620060726475
Energy: 0.5057026611816049
Energy: 0.5426620060749509
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Energy: 0.542662006074183
Energy: 0.5057026569299603
Energy: 0.3609056400100907
Energy: 0.503005026806186
Energy: 0.3609056400100907
Energy: 0.5030050917012628
Energy: 0.3609056400100907
Energy: 0.5030050276661052
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Energy: 0.4445903756572533
Energy: 0.54674817049156
Energy: 0.44459037563921033
Energy: 0.5467487583775921
Energy: 0.44459037564573656
Energy: 0.4518205333354306
Energy: 0.42662497436551783
Energy: 0.451820533341189
Energy: 0.42662499868964615
Energy: 0.4518205333331272
Energy: 0.4266249977737136
Energy: 0.430314882767881
Energy: 0.5093487774183219
Energy: 0.4303148781958257
Energy: 0.5171431168277705
Energy: 0.43031488254033745
Energy: 0.5171603313265473
Energy: 0.5269297891424601
Energy: 0.3937125540457696
Energy: 0.5269298171753044
Energy: 0.39371255404615346
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Energy: 0.3937125540457696
Energy: 0.44863405931188277
Energy: 0.4647734709611385
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Energy: 0.4650517541800975
Energy: 0.45060349402141187
Energy: 0.5335388134107293
Energy: 0.45060349402141187
Energy: 0.5335388134222461
Energy: 0.4506034940210279
Energy: 0.5335388134153359
Energy: 0.4943234063980727
Energy: 0.3671314977126357
Energy: 0.49432340160842014
Energy: 0.3671314977134035
Energy: 0.49432337895387535
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Energy: 0.524003363308316
Energy: 0.4797461088064408
Energy: 0.5240033635608127
Energy: 0.47974610881296703
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Energy: 0.503736083043921
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Energy: 0.5037360830446888
Energy: 0.38500052853101313
Energy: 0.5037360830362431
Energy: 0.569663948606716
Energy: 0.4298785770433109
Energy: 0.5696639484958408
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Energy: 0.5696639485138488
Energy: 0.4298785770436948
Energy: 0.510085012023152
Energy: 0.4769920836223298
Energy: 0.510086377960985
Energy: 0.47730463138745116
Energy: 0.5100847278309014
Energy: 0.47697967249832285
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Energy: 0.5014529071809715
Energy: 0.5089143783203345
Energy: 0.5098848332660195
Energy: 0.4461082008033327
Energy: 0.5098848332560384
Energy: 0.44610819758006637
Energy: 0.5098848332242102
Energy: 0.44610820080678776
Energy: 0.5413003537629976
Energy: 0.5004066156581243
Energy: 0.5413003537641492
Energy: 0.5004066156581243
Energy: 0.5413003537633815
Energy: 0.5004066156569725
Energy: 0.48914878499280184
Energy: 0.4699274302398151
Energy: 0.48914878499740855
Energy: 0.4699247978034458
Energy: 0.48914878502581655
Energy: 0.4699270668335057
Energy: 0.4606248587632394
Energy: 0.5046958985181528
Energy: 0.4606248278429302
Energy: 0.5046958985177687
Energy: 0.46062486066075037
Energy: 0.5046958985185366
Energy: 0.46400143688261425
Energy: 0.41968011359735025
Energy: 0.46400143689908674
Energy: 0.41968011355438917
Energy: 0.46400143688261425
Energy: 0.41968011362383884
Energy: 0.4883150991368593
Energy: 0.4854316577151098
Energy: 0.4883150991364754
Energy: 0.4854316580071125
Energy: 0.48831509913609145
Energy: 0.48543165791002263
Energy: 0.4271663232572788
Energy: 0.5089295628236055
Energy: 0.4270183624034838
Energy: 0.5089295623424136
Energy: 0.42705425881373976
Energy: 0.5089295629870739
Energy: 0.44363433342456965
Energy: 0.35709256105790044
Energy: 0.44363433341420455
Energy: 0.35709256105790044
Energy: 0.44363433342956027
Energy: 0.35709256105790044
Energy: 0.416353950838254
Energy: 0.4117972593012348
Energy: 0.41635406926218776
Energy: 0.4117972593749073
Energy: 0.41635395007273746
Energy: 0.41179726157248264
Energy: 0.43622817692170307
Energy: 0.5110689239610525
Energy: 0.4362388648212333
Energy: 0.5110689231306581
Energy: 0.436233694808861
Energy: 0.5110689237676405
Energy: 0.4543851487106554
Energy: 0.35479969582277093
Energy: 0.4543851487164137
Energy: 0.3547996958231548
Energy: 0.4543851487102714
Energy: 0.3547996958231548
Energy: 0.40331075597989047
Energy: 0.463744770762166
Energy: 0.4033107540758533
Energy: 0.4637447707629338
Energy: 0.4033107496262249
Energy: 0.46374477076254994
Energy: 0.5144479039487129
Energy: 0.48861646085311067
Energy: 0.5144481841437349
Energy: 0.4886164608719214
Energy: 0.5144493521430925
Energy: 0.4886164608830543
Energy: 0.5117638078537045
Energy: 0.40679168383245495
Energy: 0.511765376795091
Energy: 0.40679168383245495
Energy: 0.5117645465041377
Energy: 0.40679168383245495
Energy: 0.42245657541896825
Energy: 0.5311893719468532
Energy: 0.42245657434951345
Energy: 0.5311893751498081
Energy: 0.4224565832944535
Energy: 0.5311893719468532

minimum gb energy = 0.35479969582277093 eV
minimum distance =  2.51792341761338 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.1502510050884223
Energy: 0.1676216602508217
Energy: 0.08821325750410637
Energy: 0.1676216602508217
Energy: 0.1502510050884223
Energy: 0.16762166025067746
Energy: 0.24110423792161426
Energy: 0.10727833537726641
Energy: 0.2411042379210372
Energy: 0.10727833537853268
Energy: 0.24110423792161426
Energy: 0.10727833537628867
Energy: 0.3074004765871377
Energy: 0.08849353913038398
Energy: 0.3074004765872659
Energy: 0.08849353913038398
Energy: 0.3074004765871377
Energy: 0.08849353913009547
Energy: 0.08821325750410637
Energy: 0.1676216602508217
Energy: 0.08821325750396213
Energy: 0.1676216602508217
Energy: 0.08821325750396213
Energy: 0.1676216602508217
Energy: 0.24110423792146995
Energy: 0.1072783354098364
Energy: 0.24110423792146995
Energy: 0.10727833540687112
Energy: 0.24110423792146995
Energy: 0.10727833540743212
Energy: 0.3074004765871377
Energy: 0.08849353912995121
Energy: 0.3074004765871377
Energy: 0.08849353912995121
Energy: 0.3074004765872659
Energy: 0.08849353913009547
Energy: 0.15025100508856654
Energy: 0.16762166025067746
Energy: 0.08821325750410637
Energy: 0.16762166025040495
Energy: 0.15025100508856654
Energy: 0.16762166025053318
Energy: 0.2411042379213257
Energy: 0.107278335457345
Energy: 0.2411042379210372
Energy: 0.10727833545537349
Energy: 0.2411042379210372
Energy: 0.10727833545663974
Energy: 0.3074004765874101
Energy: 0.08849353913038398
Energy: 0.3074004765875544
Energy: 0.08849353913023973
Energy: 0.3074004765874101
Energy: 0.08849353913023973
Energy: 0.08821325750410637
Energy: 0.16762166025053318
Energy: 0.08821325750396213
Energy: 0.16762166025067746
Energy: 0.08821325750410637
Energy: 0.16762166025067746

minimum gb energy = 0.08821325750396213 eV
minimum distance =  2.78481096401944 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.4752987406455018
Energy: 0.48267278907247296
Energy: 0.47529807347223
Energy: 0.48267280546123154
Energy: 0.47529874133490535
Energy: 0.4826727930430855
Energy: 0.47914621689146514
Energy: 0.4866341334708889
Energy: 0.4791462350788277
Energy: 0.4879718354183919
Energy: 0.4791462163239908
Energy: 0.4880511954782143
Energy: 0.45297282777687575
Energy: 0.45937836570158974
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Energy: 0.4736759909439391
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Energy: 0.504481646241816
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Energy: 0.5022856457591734
Energy: 0.470303214121674
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Energy: 0.4537718989835468
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Energy: 0.4533585445664988
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Energy: 0.44880122494708946
Energy: 0.43214088144271334
Energy: 0.4488012249475116
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Energy: 0.46978951088589094
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Energy: 0.46979024652326773
Energy: 0.439051330033818
Energy: 0.4697890209017472
Energy: 0.5656926392578325
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Energy: 0.4068061959131727
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Energy: 0.5664378706881313
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Energy: 0.43221933820369757
Energy: 0.40525373193561076
Energy: 0.43221933820200914
Energy: 0.4052537318436315
Energy: 0.43221933820918484
Energy: 0.4052537321799104

minimum gb energy = 0.3781964941926958 eV
minimum distance =  2.63509178481506 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.6064777147681784
Energy: 0.5771583652524259
Energy: 0.6064777147681784
Energy: 0.5771583652500202
Energy: 0.6064777147519393
Energy: 0.5771583652409985
Energy: 0.5676903240014965
Energy: 0.5410079886241708
Energy: 0.5676903240063081
Energy: 0.5410079886199606
Energy: 0.567690324002098
Energy: 0.5410079886187577
Energy: 0.5932009735719596
Energy: 0.5645062054988658
Energy: 0.5932009735653436
Energy: 0.56450620550067
Energy: 0.5932009735683509
Energy: 0.5645062054964873
Energy: 0.6353498255765045
Energy: 0.4668208740869908
Energy: 0.6353498255765045
Energy: 0.4668208740863894
Energy: 0.6353498255765045
Energy: 0.4668208740869908
Energy: 0.4968982559571516
Energy: 0.4780364722065801
Energy: 0.4968982559571516
Energy: 0.47803647229316065
Energy: 0.4968982559571516
Energy: 0.47803647229316065
Energy: 0.5484655388779068
Energy: 0.5305032022252198
Energy: 0.5484655388791098
Energy: 0.5305032019095984
Energy: 0.5484655388773054
Energy: 0.5305032022276257
Energy: 0.5485131732933367
Energy: 0.4930982854546228
Energy: 0.5485131732939382
Energy: 0.4930982854546228
Energy: 0.5485131732915324
Energy: 0.4930982854546228
Energy: 0.5414738762104541
Energy: 0.5326181089350743
Energy: 0.5414735471778578
Energy: 0.5326181089362771
Energy: 0.5414733132623174
Energy: 0.5326181089362771
Energy: 0.5516160886653853
Energy: 0.5502978666405896
Energy: 0.5516160886641823
Energy: 0.5502978666393867
Energy: 0.5516160886653853
Energy: 0.5502978666405896
Energy: 0.5401198264687231
Energy: 0.49906328509779935
Energy: 0.5401198264236422
Energy: 0.49906328509719783
Energy: 0.5401198266070006
Energy: 0.49906328509719783
Energy: 0.5556870203737008
Energy: 0.49814953052664124
Energy: 0.555687026110711
Energy: 0.4981495305278441
Energy: 0.5556870279142502
Energy: 0.49814953052664124
Energy: 0.529708705555614
Energy: 0.526686723770678
Energy: 0.529708705555614
Energy: 0.5266877902453782
Energy: 0.5297087055562155
Energy: 0.5266866909866765
Energy: 0.5604985967114607
Energy: 0.4819918707065905
Energy: 0.5604985967114607
Energy: 0.4819918707065905
Energy: 0.5604985967120621
Energy: 0.48199187070598903
Energy: 0.5585694081159154
Energy: 0.512846982161159
Energy: 0.5585694081321544
Energy: 0.5128469821491302
Energy: 0.5585694081189226
Energy: 0.5128469821497316
Energy: 0.6011452150318375
Energy: 0.5005105703386238
Energy: 0.601145215032439
Energy: 0.5005105703662902
Energy: 0.6011452149615233
Energy: 0.5005105703242164
Energy: 0.5785628743305031
Energy: 0.5427205731575857
Energy: 0.5785628743383218
Energy: 0.5427205731569841
Energy: 0.5785628722582551
Energy: 0.5427205731569841
Energy: 0.5376006837764211
Energy: 0.5274054812608323
Energy: 0.5376006837782255
Energy: 0.5274054813023319
Energy: 0.5376006837764211
Energy: 0.5274054813017305
Energy: 0.6395441438139735
Energy: 0.4829592474172818
Energy: 0.6395441418138715
Energy: 0.4829592473030621
Energy: 0.639544149887683
Energy: 0.4829592474046788
Energy: 0.5352471447307351
Energy: 0.5253744143457757
Energy: 0.5352471447307351
Energy: 0.5253744143457757
Energy: 0.5352471447307351
Energy: 0.5253744143457757
Energy: 0.5010738245592131
Energy: 0.5982912434371404
Energy: 0.5010738245628219
Energy: 0.5982912434383433
Energy: 0.5010738245622203
Energy: 0.5982912434413504
Energy: 0.5231320884831338
Energy: 0.4710757299771101
Energy: 0.523132087730454
Energy: 0.47107573022539706
Energy: 0.5231320882468757
Energy: 0.47107573009072823
Energy: 0.5497670353772025
Energy: 0.5422527589332132
Energy: 0.5497670356014592
Energy: 0.5422527589987433
Energy: 0.5497670351481617
Energy: 0.5422527588586614
Energy: 0.4782596363990402
Energy: 0.5462648196368888
Energy: 0.4782596363990402
Energy: 0.5462648506209599
Energy: 0.4782596363990402
Energy: 0.5462648483190422

minimum gb energy = 0.4668208740863894 eV
minimum distance =  2.56507278374258 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.562327474621685
Energy: 0.6102497034052752
Energy: 0.5623274746255005
Energy: 0.6102497034052752
Energy: 0.5623274746220666
Energy: 0.6102497034052752
Energy: 0.5432518899459599
Energy: 0.5615798067132486
Energy: 0.5432518899459599
Energy: 0.5615798038537111
Energy: 0.5432518899459599
Energy: 0.5615798061263291
Energy: 0.5509447144482351
Energy: 0.5824627941884563
Energy: 0.5509447264962669
Energy: 0.5824627941884563
Energy: 0.5509446376362441
Energy: 0.5824627941888378
Energy: 0.5411330198409178
Energy: 0.49436121383163967
Energy: 0.5411330198447333
Energy: 0.49436121381752257
Energy: 0.5411330198439702
Energy: 0.4943612138201933
Energy: 0.544681176849744
Energy: 0.6044001596964803
Energy: 0.544681176849744
Energy: 0.6044001597048744
Energy: 0.5446811768508888
Energy: 0.6044001596968618
Energy: 0.5771999420788135
Energy: 0.5695102017588431
Energy: 0.5771999420662224
Energy: 0.5695102017542645
Energy: 0.5771999420715641
Energy: 0.5695102014846166
Energy: 0.5229602248657048
Energy: 0.5437019507343653
Energy: 0.5229602251090262
Energy: 0.5437019507339839
Energy: 0.5229602251330635
Energy: 0.5437019507343653
Energy: 0.5536114183016757
Energy: 0.5501699938265879
Energy: 0.5536114183012941
Energy: 0.5501699938265879
Energy: 0.5536114183012941
Energy: 0.5501699938269695
Energy: 0.5144581781134376
Energy: 0.582231451887161
Energy: 0.5144581781134376
Energy: 0.5822314507155765
Energy: 0.5144581781134376
Energy: 0.5822314515767225
Energy: 0.682865783383879
Energy: 0.5333782286007903
Energy: 0.6828657833854053
Energy: 0.5333782286011373
Energy: 0.682865783383879
Energy: 0.5333782286011373
Energy: 0.5194852703234633
Energy: 0.5421901667808635
Energy: 0.5194852703227002
Energy: 0.5421901667842974
Energy: 0.5194852703227002
Energy: 0.5421901667808635
Energy: 0.6256086205753961
Energy: 0.5454951996646452
Energy: 0.6256086207081042
Energy: 0.5454952029833889
Energy: 0.6256086206703313
Energy: 0.5454952161640878
Energy: 0.5586343975329872
Energy: 0.5993098781603471
Energy: 0.5586496087021613
Energy: 0.5993098781607286
Energy: 0.5586302610489792
Energy: 0.5993098781599655
Energy: 0.5469581104462159
Energy: 0.5944099431036143
Energy: 0.5469581104462159
Energy: 0.5944099431036143
Energy: 0.5469581104462159
Energy: 0.5944099431036143
Energy: 0.555872820501211
Energy: 0.5664720004823682
Energy: 0.555872820492817
Energy: 0.5664720004827498
Energy: 0.5558728204970139
Energy: 0.5664720003759867
Energy: 0.5394370766357707
Energy: 0.5657087189994131
Energy: 0.5394370769557478
Energy: 0.5657087189978869
Energy: 0.5394370770659448
Energy: 0.5657087190062808
Energy: 0.5477071786978472
Energy: 0.6256640684136838
Energy: 0.5477071786978472
Energy: 0.6256640684281826
Energy: 0.5477071786978472
Energy: 0.6256640684514567
Energy: 0.5833229827942967
Energy: 0.5741898068739384
Energy: 0.5833229763216018
Energy: 0.5741898049632675
Energy: 0.5833229312952882
Energy: 0.5741897749505581
Energy: 0.5214572200066077
Energy: 0.5889999054549859
Energy: 0.521457219724785
Energy: 0.5889999053974074
Energy: 0.5214572041639073
Energy: 0.5889999055228662
Energy: 0.5473570640708719
Energy: 0.595289343707148
Energy: 0.5473570640712534
Energy: 0.5952893437079111
Energy: 0.5473570640712534
Energy: 0.5952893437098188
Energy: 0.5913365620860038
Energy: 0.5734250030302965
Energy: 0.5913365511691475
Energy: 0.5734250030295335
Energy: 0.5913365606409906
Energy: 0.5734250030386906
Energy: 0.5576923437469877
Energy: 0.5087134326356789
Energy: 0.5576922690062285
Energy: 0.5087134326497961
Energy: 0.5576922495011863
Energy: 0.5087134326604793
Energy: 0.49938862439340787
Energy: 0.5282252270730146
Energy: 0.49938862439340787
Energy: 0.5282252271138399
Energy: 0.49938862439340787
Energy: 0.528225227080264
Energy: 0.6052331096343966
Energy: 0.5880058522773527
Energy: 0.6052331096374489
Energy: 0.5880058522868914
Energy: 0.6052331096351596
Energy: 0.5880058522849837
Energy: 0.5230148610545683
Energy: 0.5538218421555958
Energy: 0.5230148610518975
Energy: 0.5538218421460572
Energy: 0.5230148610541868
Energy: 0.5538218421563589
Energy: 0.5100951387758013
Energy: 0.5346890631619133
Energy: 0.5100951387761828
Energy: 0.5346890631603872
Energy: 0.5100951387758013
Energy: 0.5346890631596241
Energy: 0.6085071497246165
Energy: 0.5241458006387307
Energy: 0.6085071497269058
Energy: 0.5241458006398755
Energy: 0.6085071497272873
Energy: 0.5241458006387307
Energy: 0.5715382188039543
Energy: 0.5961812654583426
Energy: 0.5715382186609445
Energy: 0.5961812654583426
Energy: 0.5715382187337849
Energy: 0.5961812654587242
Energy: 0.548968146233623
Energy: 0.5888544813546438
Energy: 0.548968146233623
Energy: 0.5888553468100335
Energy: 0.548968146233623
Energy: 0.5888547483538562
Energy: 0.53313233390144
Energy: 0.5481472755927694
Energy: 0.5331334628878025
Energy: 0.5481472755897171
Energy: 0.5331322427550983
Energy: 0.5481472755946772
Energy: 0.5864550004020985
Energy: 0.601283302592935
Energy: 0.5864550004089665
Energy: 0.6012833025925536
Energy: 0.5864550004062956
Energy: 0.601283302592172
Energy: 0.556546543021325
Energy: 0.5806993829282223
Energy: 0.5565465430209434
Energy: 0.5806993715796658
Energy: 0.5565465430209434
Energy: 0.5806994418098748
Energy: 0.538445514491064
Energy: 0.615853374958452
Energy: 0.5384455145040365
Energy: 0.615853374958452
Energy: 0.5384455145196798
Energy: 0.6158533749588335
Energy: 0.5612301156590498
Energy: 0.576434506441471
Energy: 0.5612301154763594
Energy: 0.5764345064361295
Energy: 0.5612301156281446
Energy: 0.5764345064342217
Energy: 0.5638834072272954
Energy: 0.5814324566268376
Energy: 0.5638834072276769
Energy: 0.5814324566268376
Energy: 0.5638834072234798
Energy: 0.5814324566276007
Energy: 0.5453204840947192
Energy: 0.5899914144512326
Energy: 0.5453204848746309
Energy: 0.5899914144512326
Energy: 0.5453204848353665
Energy: 0.5899914144512326
Energy: 0.5075867789587011
Energy: 0.6045641980675394
Energy: 0.5075867789968556
Energy: 0.6045641980679209
Energy: 0.5075867789015042
Energy: 0.6045641980675394

minimum gb energy = 0.49436121381752257 eV
minimum distance =  2.52006154129409 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.5907376562637534
Energy: 0.5340520174694707
Energy: 0.5907376562627117
Energy: 0.5340520174694707
Energy: 0.5907376562647951
Energy: 0.5340520174694707
Energy: 0.5542446712053802
Energy: 0.5497281109433365
Energy: 0.5542446712053802
Energy: 0.5497281109454198
Energy: 0.5542446712053802
Energy: 0.5497281109422947
Energy: 0.6480761435818039
Energy: 0.5555066294106241
Energy: 0.6480761435828456
Energy: 0.5555066294085406
Energy: 0.648076143589096
Energy: 0.5555066294085406
Energy: 0.6359309401289012
Energy: 0.6067112351732211
Energy: 0.6359309401393186
Energy: 0.6067112351732211
Energy: 0.6359309401601295
Energy: 0.6067112351732211
Energy: 0.5909946946513299
Energy: 0.5521988881491161
Energy: 0.5909946946513299
Energy: 0.5521988864403923
Energy: 0.5909946946513299
Energy: 0.5521988431152738
Energy: 0.6207359877627959
Energy: 0.5844694172205135
Energy: 0.6207359905856754
Energy: 0.5844694172205135
Energy: 0.6207359881064253
Energy: 0.5844694172267638
Energy: 0.6370126295936187
Energy: 0.5840818722794091
Energy: 0.6370126310524218
Energy: 0.5840818722794091
Energy: 0.6370126308066915
Energy: 0.5840818722794091
Energy: 0.6060549149616181
Energy: 0.5583319058479386
Energy: 0.6060549151501006
Energy: 0.5583319058479386
Energy: 0.6060549157384184
Energy: 0.5583319058479386
Energy: 0.5405157552663103
Energy: 0.5438515339003474
Energy: 0.5405157560888993
Energy: 0.5438515338982639
Energy: 0.540515755415207
Energy: 0.5438515339003474
Energy: 0.5609722356392788
Energy: 0.5410399725639793
Energy: 0.5609722356299032
Energy: 0.5410399725629376
Energy: 0.560972235761114
Energy: 0.5410399725629376
Energy: 0.6373508290164366
Energy: 0.5533544883629267
Energy: 0.6373508290987098
Energy: 0.5533544883639684
Energy: 0.6373508292278371
Energy: 0.5533544883639684
Energy: 0.6060442288884741
Energy: 0.5496286731333968
Energy: 0.6060442288874325
Energy: 0.5496286731333968
Energy: 0.6060442288874325
Energy: 0.5496286731323551
Energy: 0.5738497656869757
Energy: 0.6174546143505197
Energy: 0.5738497656880174
Energy: 0.6174546143505197
Energy: 0.5738497656807252
Energy: 0.6174546143505197
Energy: 0.582901199453611
Energy: 0.6216808935572911
Energy: 0.582901199453611
Energy: 0.6216808935562492
Energy: 0.582901199453611
Energy: 0.6216808935562492

minimum gb energy = 0.5340520174694707 eV
minimum distance =  2.48497949968816 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.5428215775670134
Energy: 0.6668058607054042
Energy: 0.5428215775670134
Energy: 0.6668058594667031
Energy: 0.5428215775578608
Energy: 0.6668058605329608
Energy: 0.5954939106869206
Energy: 0.5904278960847043
Energy: 0.5954939106873782
Energy: 0.5904278960856195
Energy: 0.5954939106846324
Energy: 0.5904278960847043
Energy: 0.6049311246142473
Energy: 0.599026447277483
Energy: 0.604931124616993
Energy: 0.599026447277483
Energy: 0.6049311245319153
Energy: 0.5990264472779406
Energy: 0.5830974840176142
Energy: 0.5396195064215771
Energy: 0.5830974840125802
Energy: 0.5396195064215771
Energy: 0.5830974840212545
Energy: 0.5396195064215771
Energy: 0.6019173738264306
Energy: 0.5830789473292497
Energy: 0.6019173738264306
Energy: 0.5830789473292497
Energy: 0.6019173738264306
Energy: 0.5830789473292497
Energy: 0.5841312081773555
Energy: 0.6398341350894557
Energy: 0.5841312032366961
Energy: 0.6398341350894557
Energy: 0.5841312016210531
Energy: 0.6398341350889981
Energy: 0.5455558241390365
Energy: 0.5854160407450725
Energy: 0.545555824135833
Energy: 0.5854160407450725
Energy: 0.5455558241390365
Energy: 0.5854160407450725
Energy: 0.6345095154089808
Energy: 0.5920409807909947
Energy: 0.6345095154611299
Energy: 0.5920409805508428
Energy: 0.634509515451062
Energy: 0.592040981181166
Energy: 0.6135786284599817
Energy: 0.5650555661470662
Energy: 0.6135785888458836
Energy: 0.565055566153473
Energy: 0.6135786284759986
Energy: 0.5650555661479814
Energy: 0.5544361537145766
Energy: 0.5781700808497326
Energy: 0.5544361537150342
Energy: 0.5781700808497326
Energy: 0.5544361536884918
Energy: 0.5781700808497326
Energy: 0.5773077886618927
Energy: 0.5790001733801722
Energy: 0.5773077886445236
Energy: 0.5790001733797145
Energy: 0.5773077886262183
Energy: 0.5790001733755958
Energy: 0.5777162641468903
Energy: 0.607910104775265
Energy: 0.5777162641468903
Energy: 0.607910104775265
Energy: 0.5777162641468903
Energy: 0.607910104777553
Energy: 0.572756600617141
Energy: 0.6209089494789721
Energy: 0.572756600617141
Energy: 0.6209089494785146
Energy: 0.572756600617141
Energy: 0.6209089494789721
Energy: 0.59251135816809
Energy: 0.5554699486222717
Energy: 0.5925113581685477
Energy: 0.5554699486222717
Energy: 0.5925113581726663
Energy: 0.5554699486227295
Energy: 0.5602410034103495
Energy: 0.5726897887140955
Energy: 0.5602409347912501
Energy: 0.572689486453134
Energy: 0.5602409938903712
Energy: 0.5726898087923944
Energy: 0.5467915754550136
Energy: 0.5972960990424173
Energy: 0.5467915754563865
Energy: 0.5972960990424173
Energy: 0.546791575456844
Energy: 0.5972960990419597
Energy: 0.6014055078534756
Energy: 0.5998026881639225
Energy: 0.6014055078534756
Energy: 0.5998026885733143
Energy: 0.6014055078539332
Energy: 0.5998026882618137
Energy: 0.6382433136833371
Energy: 0.6136865893334337
Energy: 0.6382433136988965
Energy: 0.6136865893297726
Energy: 0.6382433137030152
Energy: 0.6136865893320609
Energy: 0.5611822028536437
Energy: 0.5673603084834349
Energy: 0.5614713938894329
Energy: 0.5673603084774858
Energy: 0.5611911524841205
Energy: 0.5673603084774858
Energy: 0.5888019744177125
Energy: 0.5538261382910674
Energy: 0.5888019744181702
Energy: 0.5538261382910674
Energy: 0.5888019744181702
Energy: 0.5538261382915249
Energy: 0.5987937671266245
Energy: 0.5971685588485087
Energy: 0.5987937671302855
Energy: 0.5971685588777971
Energy: 0.5987937671270821
Energy: 0.5971685588915052
Energy: 0.560013716868224
Energy: 0.6712928179947469
Energy: 0.5600137170242135
Energy: 0.6712928179901706
Energy: 0.5600137168769189
Energy: 0.6712928179883401
Energy: 0.6270834429195613
Energy: 0.5572774576491196
Energy: 0.6270834429154425
Energy: 0.5572774576632854
Energy: 0.6270834429181883
Energy: 0.5572774576129669
Energy: 0.5977781520942463
Energy: 0.5997766335772008
Energy: 0.5977781520919582
Energy: 0.599776662730412
Energy: 0.5977781520905853
Energy: 0.5997766245919635
Energy: 0.552511681315294
Energy: 0.584390763348377
Energy: 0.5525116812315893
Energy: 0.5843907633479194
Energy: 0.5525116812379962
Energy: 0.584390763348377
Energy: 0.5428525141715228
Energy: 0.5595440275415577
Energy: 0.5428525141710651
Energy: 0.5595440275447611
Energy: 0.5428525141715228
Energy: 0.5595440275397272
Energy: 0.5700538546480575
Energy: 0.5817760164134425
Energy: 0.5700538546485152
Energy: 0.581776016435388
Energy: 0.5700538546480575
Energy: 0.5817760164298963
Energy: 0.5642759955916933
Energy: 0.6387831924069242
Energy: 0.5642760214235073
Energy: 0.6387831924060088
Energy: 0.5642761080496919
Energy: 0.6387831924082968
Energy: 0.5796196800525341
Energy: 0.553857730095787
Energy: 0.5796196800534492
Energy: 0.5538577300934988
Energy: 0.5796196800539068
Energy: 0.5538577300948717
Energy: 0.6198725714539582
Energy: 0.5997621020243651
Energy: 0.6198725714470938
Energy: 0.5997621020271108
Energy: 0.619872571473158
Energy: 0.5997621020289413
Energy: 0.5568715508072821
Energy: 0.6638209438134421
Energy: 0.556871550806367
Energy: 0.6638209438244254
Energy: 0.556871550806367
Energy: 0.66382094382351

minimum gb energy = 0.5396195064215771 eV
minimum distance =  2.55662880519567 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.47559221607807467
Energy: 0.47320362482794703
Energy: 0.475592216067488
Energy: 0.47320362482794703
Energy: 0.4755922160691167
Energy: 0.47320362482794703
Energy: 0.5786965224987861
Energy: 0.5682313408200266
Energy: 0.5786965224987861
Energy: 0.5682313408200266
Energy: 0.5786965224987861
Energy: 0.5682313408200266
Energy: 0.5347071339758884
Energy: 0.5084415987102728
Energy: 0.5347071327524621
Energy: 0.5084415987110872
Energy: 0.5347071342933589
Energy: 0.5084415987102728
Energy: 0.5483035521997085
Energy: 0.6269392722989019
Energy: 0.5483035521988942
Energy: 0.6269392722989019
Energy: 0.5483035522021331
Energy: 0.6269392722989019
Energy: 0.5727767484962494
Energy: 0.5082214309399202
Energy: 0.572776748512518
Energy: 0.5082214309448063
Energy: 0.5727767484767048
Energy: 0.5082214309431776
Energy: 0.5816427882446951
Energy: 0.5682681325230341
Energy: 0.5816427882446951
Energy: 0.5682681325230341
Energy: 0.5816427882446951
Energy: 0.5682681325230341
Energy: 0.47559221608945723
Energy: 0.47320362482794703
Energy: 0.4755922160927147
Energy: 0.47320362482713263
Energy: 0.47559221610167257
Energy: 0.47320362482713263
Energy: 0.5786965224971574
Energy: 0.568231340820841
Energy: 0.5786965224979719
Energy: 0.568231340820841
Energy: 0.5786965224979719
Energy: 0.5682313408200266
Energy: 0.5347071738918809
Energy: 0.5084415987045908
Energy: 0.534707171125929
Energy: 0.5084415987045908
Energy: 0.5347071741539935
Energy: 0.5084415987045908
Energy: 0.5483035521956368
Energy: 0.6090339973480505
Energy: 0.5483035521964511
Energy: 0.6090339973480505
Energy: 0.5483035521956368
Energy: 0.6090339973480505
Energy: 0.5727767483692648
Energy: 0.5082214309423633
Energy: 0.5727767483936772
Energy: 0.508221430943992
Energy: 0.5727767483643788
Energy: 0.5082214309431776
Energy: 0.5816427882446951
Energy: 0.5682681325230341
Energy: 0.5816427882446951
Energy: 0.5682681325230341
Energy: 0.5816427882446951
Energy: 0.5682681325230341
Energy: 0.47559221628320064
Energy: 0.4732036248287613
Energy: 0.47559221626039855
Energy: 0.47320362482794703
Energy: 0.47559221628806825
Energy: 0.47320362482794703
Energy: 0.5786965224971574
Energy: 0.5682313408200266
Energy: 0.5786965224979719
Energy: 0.568231340820841
Energy: 0.5786965224979719
Energy: 0.568231340820841
Energy: 0.5347071801507112
Energy: 0.508441598717602
Energy: 0.5347071841498804
Energy: 0.5084415987192307
Energy: 0.5347071823599007
Energy: 0.5084415987184164
Energy: 0.5483035521883075
Energy: 0.5183047587398635
Energy: 0.5483035521891219
Energy: 0.5183047587431026
Energy: 0.5483035521907506
Energy: 0.5183047587406779
Energy: 0.5727767483358948
Energy: 0.5082214309407345
Energy: 0.5727767483358948
Energy: 0.5082214309464351
Energy: 0.5727767483025059
Energy: 0.5082214309464351

minimum gb energy = 0.47320362482713263 eV
minimum distance =  2.6123901152514 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.5601509203729101
Energy: 0.601097823268451
Energy: 0.5601509203729101
Energy: 0.6010978232757651
Energy: 0.5601509203729101
Energy: 0.6010978232751001
Energy: 0.6312843963412614
Energy: 0.6036021950248603
Energy: 0.6312854216294419
Energy: 0.6036021950248603
Energy: 0.6312843598080943
Energy: 0.6036021950241954
Energy: 0.5479592318653654
Energy: 0.5809971658850679
Energy: 0.5479592318653654
Energy: 0.5809971659182838
Energy: 0.5479592318653654
Energy: 0.5809971658890574
Energy: 0.5944125586357597
Energy: 0.622702884469781
Energy: 0.5944125586357597
Energy: 0.622702884469781
Energy: 0.5944125586377544
Energy: 0.6227028844704459
Energy: 0.6018980912694615
Energy: 0.6002336832007843
Energy: 0.6018980916768769
Energy: 0.6002336831981248
Energy: 0.6018980912116435
Energy: 0.6002336831994545
Energy: 0.6533560108324832
Energy: 0.6120402719336417
Energy: 0.6533560108324832
Energy: 0.6120402719356366
Energy: 0.6533560108331481
Energy: 0.6120402719343067
Energy: 0.557168841586198
Energy: 0.5985945921397777
Energy: 0.557168841586863
Energy: 0.5985945921391128
Energy: 0.557168841586198
Energy: 0.5985945921397777
Energy: 0.6323853966670826
Energy: 0.5925712187365358
Energy: 0.6323853966704073
Energy: 0.5925712189844305
Energy: 0.6323853980534739
Energy: 0.5925712185697009
Energy: 0.6574215415925356
Energy: 0.6048561575331718
Energy: 0.6574215415951953
Energy: 0.6048561575345016
Energy: 0.6574215415958602
Energy: 0.6048561575325069
Energy: 0.5554954259180539
Energy: 0.639836947366248
Energy: 0.5554954259180539
Energy: 0.639836947366248
Energy: 0.5554954259180539
Energy: 0.639836947366248
Energy: 0.6072975945691206
Energy: 0.5911807417826354
Energy: 0.6349211516437123
Energy: 0.5911807417780112
Energy: 0.6022469364889902
Energy: 0.5911807417819704
Energy: 0.5784093738248304
Energy: 0.590691855453705
Energy: 0.5784093738248304
Energy: 0.5906918554703279
Energy: 0.5784093738248304
Energy: 0.5906918554590243
Energy: 0.5933536107632613
Energy: 0.6733382370039646
Energy: 0.5933536107625964
Energy: 0.6733382370039646
Energy: 0.5933536107632613
Energy: 0.6733382370039646
Energy: 0.6016778285061484
Energy: 0.6261188891152869
Energy: 0.6016778285147923
Energy: 0.6261188891099676
Energy: 0.6016778285008291
Energy: 0.6261188891086377
Energy: 0.6028493120562084
Energy: 0.6296925402586623
Energy: 0.6028493120562084
Energy: 0.6296925402599921
Energy: 0.6028493120568733
Energy: 0.6296925402606571
Energy: 0.614364828381646
Energy: 0.5960312824882902
Energy: 0.6143643190088479
Energy: 0.5960312824882902
Energy: 0.614364808278051
Energy: 0.5960312824889551
Energy: 0.6529633019809515
Energy: 0.5931053469327366
Energy: 0.6529633019809515
Energy: 0.5931053469473347
Energy: 0.6529633019809515
Energy: 0.5931053469473347
Energy: 0.5765382954150201
Energy: 0.621034595079029
Energy: 0.5765382954156851
Energy: 0.6210345950803589
Energy: 0.57653829541635
Energy: 0.6210345950796939
Energy: 0.5931279787574512
Energy: 0.6129670333169809
Energy: 0.5931279788033005
Energy: 0.6129670333169809
Energy: 0.5931279785826372
Energy: 0.6129670333169809
Energy: 0.6147112250672356
Energy: 0.6851501077006236
Energy: 0.6147112250718901
Energy: 0.6851501076959691
Energy: 0.6147112250712251
Energy: 0.6851501076986287
Energy: 0.567599001241086
Energy: 0.5607149750888102
Energy: 0.567599001241086
Energy: 0.5607149750894751
Energy: 0.567599001241086
Energy: 0.5607149750874804

minimum gb energy = 0.5479592318653654 eV
minimum distance =  2.57858360010235 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.6685389830438414
Energy: 0.7283139950158612
Energy: 0.6399574734051386
Energy: 0.7283139950153006
Energy: 0.6685389803172066
Energy: 0.7283139950153006
Energy: 0.6054424720851195
Energy: 0.6419970721441761
Energy: 0.6054424720839986
Energy: 0.6419970721447367
Energy: 0.6054424720834382
Energy: 0.6419970721447367
Energy: 0.6148384066692484
Energy: 0.5624416602723166
Energy: 0.6148384066698089
Energy: 0.5624416602723166
Energy: 0.6148384066698089
Energy: 0.5624416602723166
Energy: 0.6614562059612342
Energy: 0.714626990177796
Energy: 0.6614562059617948
Energy: 0.7146269901783563
Energy: 0.6614562059623551
Energy: 0.7146269901772355
Energy: 0.615052922249878
Energy: 0.5921866196910375
Energy: 0.6150529222521199
Energy: 0.5921866196910375
Energy: 0.615052922249878
Energy: 0.5921866196910375
Energy: 0.6463394765443843
Energy: 0.7235688438093181
Energy: 0.6463394765427027
Energy: 0.7235736437964407
Energy: 0.6463394765454796
Energy: 0.7235729785193218
Energy: 0.5717045809837779
Energy: 0.5855865317217516
Energy: 0.5717045809832174
Energy: 0.5855865317217516
Energy: 0.5717045809837779
Energy: 0.5855865317211911
Energy: 0.622473596284469
Energy: 0.6247710107434452
Energy: 0.6224735962839085
Energy: 0.6247710291756049
Energy: 0.622473596284469
Energy: 0.624771033115705
Energy: 0.620608547576454
Energy: 0.6690784008253791
Energy: 0.6203806661366162
Energy: 0.6690784022405155
Energy: 0.620608547576454
Energy: 0.669078400398497
Energy: 0.7069251999891769
Energy: 0.6061609140305899
Energy: 0.7061125446532153
Energy: 0.6061609140305899
Energy: 0.7069251999874954
Energy: 0.6061609140300294
Energy: 0.7866813101674316
Energy: 0.6487015252542322
Energy: 0.7694950761536293
Energy: 0.6487015252542322
Energy: 0.786681310167992
Energy: 0.6487015252547926
Energy: 0.580949872263042
Energy: 0.6104248788297324
Energy: 0.5809498722624814
Energy: 0.6104248788314138
Energy: 0.580949872263042
Energy: 0.6104248788314138
Energy: 0.5756964071491609
Energy: 0.71818477812542
Energy: 0.5756964070993036
Energy: 0.7181847781214966
Energy: 0.5756964072847462
Energy: 0.7181847781130895
Energy: 0.558083322524993
Energy: 0.5570923157398935
Energy: 0.5580833225255535
Energy: 0.5570923157426958
Energy: 0.558083322524993
Energy: 0.5570923157421354
Energy: 0.6609555004395193
Energy: 0.7361815073735676
Energy: 0.6830084549694099
Energy: 0.7361815072570387
Energy: 0.6609555004389589
Energy: 0.7361815067393841
Energy: 0.6341660985829018
Energy: 0.5865249218217476
Energy: 0.6341660985823414
Energy: 0.5865249218206268
Energy: 0.6341660985829018
Energy: 0.5865249218217476
Energy: 0.6224722608255442
Energy: 0.602565944356835
Energy: 0.6224722608255442
Energy: 0.6025659443579559
Energy: 0.6224722608261046
Energy: 0.6025659443579559
Energy: 0.7059515338781649
Energy: 0.569290094772881
Energy: 0.7059515338776045
Energy: 0.569290094772881
Energy: 0.7059515338781649
Energy: 0.569290094772881
Energy: 0.58432669293469
Energy: 0.6504956448704575
Energy: 0.5778612978835836
Energy: 0.650495644871018
Energy: 0.5843266929341295
Energy: 0.6504956448704575
Energy: 0.6685389749115268
Energy: 0.7283139950153006
Energy: 0.6399573561049898
Energy: 0.7283139950153006
Energy: 0.6685389761171454
Energy: 0.7283139950158612
Energy: 0.6054424720728143
Energy: 0.6419970721408133
Energy: 0.6054424720750564
Energy: 0.6419970721408133
Energy: 0.6054424720733749
Energy: 0.6419970721413738
Energy: 0.6148384066686878
Energy: 0.562441660271756
Energy: 0.6148384066692484
Energy: 0.5624416602723166
Energy: 0.6148384066686878
Energy: 0.5624416602723166
Energy: 0.6614562059696415
Energy: 0.714626990177796
Energy: 0.661456205966839
Energy: 0.714626990177796
Energy: 0.6614562059707623
Energy: 0.7146269901783563
Energy: 0.6150529221540868
Energy: 0.5921866196904769
Energy: 0.6150529221602521
Energy: 0.5921866196904769
Energy: 0.6150529221546472
Energy: 0.5921866196910375
Energy: 0.6463394766306472
Energy: 0.7232348586848749
Energy: 0.6463394766284053
Energy: 0.7232346323384652
Energy: 0.6463394766312077
Energy: 0.7232347113776033

minimum gb energy = 0.5570923157398935 eV
minimum distance =  2.59291459200598 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.6980111790843043
Energy: 0.5864957486762442
Energy: 0.6980111791341138
Energy: 0.5864956997832137
Energy: 0.6980111791017211
Energy: 0.5864957059412133
Energy: 0.6470167073555223
Energy: 0.562178974944713
Energy: 0.6470167073579413
Energy: 0.5621789836492669
Energy: 0.6470167073584251
Energy: 0.56217898517643
Energy: 0.6260895985214182
Energy: 0.5963347614926682
Energy: 0.6260895985199668
Energy: 0.596334761166718
Energy: 0.626089598531578
Energy: 0.5963347614825084
Energy: 0.625943296438518
Energy: 0.5922275713072847
Energy: 0.625943296438518
Energy: 0.5922275713072847
Energy: 0.625943296438518
Energy: 0.5922275713077685
Energy: 0.5719498100986248
Energy: 0.65279264082575
Energy: 0.571949810093303
Energy: 0.6527926407711024
Energy: 0.5719498100971734
Energy: 0.6527926409152093
Energy: 0.5746210251761391
Energy: 0.5338727943367878
Energy: 0.5746210251761391
Energy: 0.5338727943367878
Energy: 0.5746210251756553
Energy: 0.5338727943367878
Energy: 0.5451035158494779
Energy: 0.6286182845753634
Energy: 0.5451035073992935
Energy: 0.6286182846909258
Energy: 0.5451034937152361
Energy: 0.6286182846609523
Energy: 0.5510888121319725
Energy: 0.6485347291344287
Energy: 0.5510888129482773
Energy: 0.64853472913588
Energy: 0.551088812249976
Energy: 0.648534729133461
Energy: 0.5853145622070525
Energy: 0.5277190565710869
Energy: 0.5853145622070525
Energy: 0.5277190565710869
Energy: 0.5853145622070525
Energy: 0.5277190565710869
Energy: 0.6387433970908326
Energy: 0.638843001107005
Energy: 0.6387433968867563
Energy: 0.6388430009991612
Energy: 0.638743397104357
Energy: 0.6388430010131915
Energy: 0.5484122710822722
Energy: 0.6295199954036707
Energy: 0.5484122710813046
Energy: 0.6295199954031869
Energy: 0.5484122710817884
Energy: 0.6295199954036707
Energy: 0.6422925199173719
Energy: 0.6303103171795321
Energy: 0.6422925199173719
Energy: 0.630310317167921
Energy: 0.6422925199173719
Energy: 0.6303103171669533
Energy: 0.6577672110893339
Energy: 0.6383129713013611
Energy: 0.6577672111260807
Energy: 0.6383129713013611
Energy: 0.6577672111725037
Energy: 0.6383129713013611
Energy: 0.6079782782014661
Energy: 0.580396249791931
Energy: 0.6079782786386246
Energy: 0.580396249791931
Energy: 0.6079782766975037
Energy: 0.580396249791931
Energy: 0.6368885641890685
Energy: 0.6459454966940498
Energy: 0.6368885641885847
Energy: 0.6459456261878795
Energy: 0.6368885641890685
Energy: 0.6459458496217914
Energy: 0.6227016321376321
Energy: 0.5690138675640671
Energy: 0.6227016321347293
Energy: 0.5690138675660024
Energy: 0.6227016321327941
Energy: 0.5690138675635833
Energy: 0.6326949598480162
Energy: 0.6216933141938079
Energy: 0.6326949592827164
Energy: 0.6216933141928404
Energy: 0.6326949541151022
Energy: 0.6216933141981621
Energy: 0.6115575806682472
Energy: 0.6552251191687973
Energy: 0.6122075040057317
Energy: 0.6552251191697649
Energy: 0.6115589068105662
Energy: 0.6552251191683135
Energy: 0.6116329229130546
Energy: 0.6164529305698774
Energy: 0.6116329229125709
Energy: 0.6164529305698774
Energy: 0.5877630535451582
Energy: 0.6164529305742316
Energy: 0.5906507005880781
Energy: 0.6017898646391285
Energy: 0.5906507005866267
Energy: 0.6017898646449341
Energy: 0.5906507005822724
Energy: 0.6017898646603936
Energy: 0.5440583061749552
Energy: 0.6590974278394658
Energy: 0.5440583061686658
Energy: 0.6590974278399495
Energy: 0.5440583061831579
Energy: 0.6590974278394658
Energy: 0.6133387492063006
Energy: 0.5892306909365289
Energy: 0.6133387492067844
Energy: 0.5892306093593306
Energy: 0.6133387492063006
Energy: 0.5892305970220882
Energy: 0.641329991696862
Energy: 0.6539284564313333
Energy: 0.6413299921867329
Energy: 0.6539284608353771
Energy: 0.6413299917786025
Energy: 0.6539284651470147
Energy: 0.6218972581919038
Energy: 0.5911345494556387
Energy: 0.6218972510217698
Energy: 0.5911345494556387
Energy: 0.6218972584148483
Energy: 0.5911345494570902
Energy: 0.5971751088437819
Energy: 0.6182841161415383
Energy: 0.5971751088418468
Energy: 0.618284116142506
Energy: 0.5971751088452334
Energy: 0.6182841161396031
Energy: 0.6648832539061402
Energy: 0.6436003975510094
Energy: 0.6648832539051727
Energy: 0.643600295055802
Energy: 0.6648832539071079
Energy: 0.6436004968303672
Energy: 0.5519943295468026
Energy: 0.5716712888063962
Energy: 0.5257789241437181
Energy: 0.5716712888063962
Energy: 0.5519943295468026
Energy: 0.5716712888059124
Energy: 0.6245703223803698
Energy: 0.6840316888434573
Energy: 0.6245703223861755
Energy: 0.6840316888405765
Energy: 0.6245703223866592
Energy: 0.6840316888439412
Energy: 0.6168192184360488
Energy: 0.6200479406371503
Energy: 0.6168192184350813
Energy: 0.6200479370097617
Energy: 0.6168192184345975
Energy: 0.6200478880659761

minimum gb energy = 0.5257789241437181 eV
minimum distance =  2.56971560675069 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.5211707956607047
Energy: 0.5714260641623292
Energy: 0.5211707956607047
Energy: 0.5714260641627545
Energy: 0.5211707956607047
Energy: 0.5714260641623292
Energy: 0.6630065456161354
Energy: 0.5945291882493009
Energy: 0.6630065457474905
Energy: 0.5945291882501514
Energy: 0.6630065456297445
Energy: 0.5945291882548296
Energy: 0.6186944727137211
Energy: 0.576187218193831
Energy: 0.6186944727137211
Energy: 0.5761872181942562
Energy: 0.6186944727145718
Energy: 0.5761872181946815
Energy: 0.49203014858505884
Energy: 0.652314068847306
Energy: 0.49203014858335775
Energy: 0.652314068847306
Energy: 0.4920301485795302
Energy: 0.652314068847306
Energy: 0.6275775668072757
Energy: 0.6284374518976188
Energy: 0.6275775668145055
Energy: 0.6284374518984696
Energy: 0.6275775668157815
Energy: 0.6284374518988948
Energy: 0.575794888926076
Energy: 0.49365038684547585
Energy: 0.5757948889265013
Energy: 0.49365038684505047
Energy: 0.575794888926076
Energy: 0.49365038684505047
Energy: 0.5761578901913043
Energy: 0.6413869960316817
Energy: 0.5761578901917295
Energy: 0.6413869960312564
Energy: 0.5761578901921547
Energy: 0.6413869960312564
Energy: 0.5191333069049355
Energy: 0.6496172352147468
Energy: 0.5191333069053607
Energy: 0.6496172352147468
Energy: 0.5191333069049355
Energy: 0.6496172352147468
Energy: 0.5722705848980446
Energy: 0.5702657683128053
Energy: 0.5722705848980446
Energy: 0.57026576831238
Energy: 0.5722705848980446
Energy: 0.5702657683115295
Energy: 0.6041355554056101
Energy: 0.646686694493858
Energy: 0.604135555400932
Energy: 0.646686694493858
Energy: 0.6041355554047596
Energy: 0.6466866944947085
Energy: 0.48927006579026494
Energy: 0.59128211974245
Energy: 0.4892700657906902
Energy: 0.5912821197420247
Energy: 0.48927006579026494
Energy: 0.5912821197420247
Energy: 0.6898238030819822
Energy: 0.5987000244145596
Energy: 0.6898238028026858
Energy: 0.5987000244217895
Energy: 0.6898238030271396
Energy: 0.5987000244213642
Energy: 0.5905646205601168
Energy: 0.5775282233621669
Energy: 0.590564620560542
Energy: 0.57752822335196
Energy: 0.5905646205601168
Energy: 0.5775282233617416
Energy: 0.5927866687694451
Energy: 0.5790051339872516
Energy: 0.5927866687685945
Energy: 0.579005133998309
Energy: 0.5927866687651923
Energy: 0.5790051340297608
Energy: 0.6207547470153054
Energy: 0.5594835839816524
Energy: 0.6207547523120192
Energy: 0.5594835839820778
Energy: 0.6207547614507393
Energy: 0.5594835839820778
Energy: 0.6112528431591951
Energy: 0.5951472022557678
Energy: 0.6112528431579193
Energy: 0.5951472022536414
Energy: 0.6112528431583445
Energy: 0.5951472022523655
Energy: 0.5084748017912513
Energy: 0.6404858692571344
Energy: 0.5084748017916765
Energy: 0.6404858465650605
Energy: 0.508474801792527
Energy: 0.640485856574378
Energy: 0.5238068139277893
Energy: 0.6245270105368399
Energy: 0.523806813927364
Energy: 0.6245270105364146
Energy: 0.5238068139277893
Energy: 0.6245270105368399
Energy: 0.5791138245233916
Energy: 0.5607132876922695
Energy: 0.5791138245233916
Energy: 0.5607132875894084
Energy: 0.5791138245233916
Energy: 0.5607132917863734
Energy: 0.5862909527308067
Energy: 0.6783036951670545
Energy: 0.5862909508778201
Energy: 0.6783036951666293
Energy: 0.5862909489019648
Energy: 0.6783036951713073
Energy: 0.5542395965261909
Energy: 0.6103172308122466
Energy: 0.5542396240992042
Energy: 0.6103172308143732
Energy: 0.5542395921957252
Energy: 0.6103172308075685
Energy: 0.6494881140094679
Energy: 0.5728470251550304
Energy: 0.6494881156669201
Energy: 0.5728470251563064
Energy: 0.6494881166637692
Energy: 0.5728470251614096
Energy: 0.5779481224162716
Energy: 0.6478793589020849
Energy: 0.5779481224166968
Energy: 0.6478744320319756
Energy: 0.5779481224171221
Energy: 0.6478798343901516
Energy: 0.4943579722529689
Energy: 0.5642495899031175
Energy: 0.4943579722525437
Energy: 0.5642495899031175
Energy: 0.4943579722525437
Energy: 0.5642495899026923
Energy: 0.7219565238827412
Energy: 0.6842320306403953
Energy: 0.7219565238827412
Energy: 0.6842320306408206
Energy: 0.7219565238827412
Energy: 0.6842320306403953
Energy: 0.5817305698524068
Energy: 0.5611822391162318
Energy: 0.5817305698511503
Energy: 0.5611353942286
Energy: 0.5817305698511503
Energy: 0.5611335610534638
Energy: 0.6602332612734135
Energy: 0.5811445195148937
Energy: 0.6602332612721376
Energy: 0.5811445195127672
Energy: 0.6602332612734135
Energy: 0.5811445195144684
Energy: 0.6240125897000205
Energy: 0.5921232643733948
Energy: 0.6240125897038481
Energy: 0.5923341521555967
Energy: 0.6240125896983194
Energy: 0.5921612355523244
Energy: 0.5661408194139649
Energy: 0.621925676524118
Energy: 0.5661408194135397
Energy: 0.6219256913259738
Energy: 0.5661408194139649
Energy: 0.6219256903746108
Energy: 0.5869182204341017
Energy: 0.6961726422621748
Energy: 0.5869182201688398
Energy: 0.6961726422736574
Energy: 0.586918220241119
Energy: 0.6961726423433848
Energy: 0.5571290247947125
Energy: 0.5610540841791795
Energy: 0.5571290247985208
Energy: 0.5610540841715245
Energy: 0.5571290248014976
Energy: 0.5610540841791795
Energy: 0.5676913347765248
Energy: 0.573398902437401
Energy: 0.5676913347769501
Energy: 0.5733989024310218
Energy: 0.5676913347765248
Energy: 0.5733989024293206
Energy: 0.6950639245742992
Energy: 0.6509271343339905
Energy: 0.6950639245742992
Energy: 0.6509271225027128
Energy: 0.6950639245781268
Energy: 0.6509271026196859

minimum gb energy = 0.48927006579026494 eV
minimum distance =  2.57870958292953 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.01168173378167526
Energy: 0.4096296711624803
Energy: 0.01168173378167526
Energy: 0.4096296711621466
Energy: 0.01168173378167526
Energy: 0.40962967116283366
Energy: 0.012315091524228203
Energy: 0.8691963587605506
Energy: 0.012315091523894478
Energy: 0.869196358760904
Energy: 0.012315091524228203
Energy: 0.8691963587612377
Energy: 0.5700162735329392
Energy: 1.0200322706413247
Energy: 0.5700162735329392
Energy: 1.020032270640638
Energy: 0.5700162735326054
Energy: 1.0200322706402845
Energy: 0.012315091524228203
Energy: 0.8691963587601972
Energy: 0.012315091524228203
Energy: 0.869196358760904
Energy: 0.012315091524228203
Energy: 0.869196358760904

minimum gb energy = 0.01168173378167526 eV
minimum distance =  2.81820837569702 Angstroms
sigma value = 1