Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.061213478446007
cohesive_energy=2.700628357150368
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.008286345928836382
Energy: 0.008638671802594387
Energy: 0.008636402058557998
Energy: 0.00863867180211123
Energy: 0.00863867180211123
Energy: 0.8421961851355442
Energy: 0.00863867180211123
Energy: 0.8421961851355442
Energy: 0.008636402058557998
Energy: 0.00863867180211123
Energy: 0.008286345928836382
Energy: 0.00863867180211123
Energy: 0.008638671802594387
Energy: 0.8421961851355442
Energy: 0.008638671802594387
Energy: 0.8421961851355442

minimum gb energy = 0.008286345928836382 eV
minimum distance =  2.74620982593452 Angstroms
sigma value = 1


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

Energy: 0.8503379485313
Energy: 0.8921368599817474
Energy: 0.7658588212478562
Energy: 0.8921368599811448
Energy: 0.8170535156873491
Energy: 0.8874336014317168
Energy: 0.8164990342127202
Energy: 0.8874336014299087
Energy: 0.7434997206757407
Energy: 0.8829084235533755
Energy: 0.8156157423555374
Energy: 0.8829084235533755
Energy: 0.8069422815920595
Energy: 0.8992566967512406
Energy: 0.8118826638021126
Energy: 0.8992566967512406
Energy: 0.8089551443313722
Energy: 0.8926551753182391
Energy: 0.7504880327732271
Energy: 0.8926551753176364
Energy: 0.7768775498057541
Energy: 0.8879773251214851
Energy: 0.7986847947331169
Energy: 0.8879773251202797
Energy: 0.8178943157523157
Energy: 0.8829301793504163
Energy: 0.7778676719873372
Energy: 0.8829301793516218
Energy: 0.7266863727967608
Energy: 0.8923629650178228
Energy: 0.7954339505075685
Energy: 0.8923629650184254
Energy: 0.8118100309829426
Energy: 0.8175226054957342
Energy: 0.8128596939657186
Energy: 0.8175226054969397
Energy: 0.8022094145167333
Energy: 0.8826485102701253
Energy: 0.7218636683936769
Energy: 0.8826485102689199
Energy: 0.8104441789424938
Energy: 0.8677343939620623
Energy: 0.8118249430296978
Energy: 0.8677343939620623
Energy: 0.8024017950904897
Energy: 0.8923553314502694
Energy: 0.8101890577104661
Energy: 0.8923553314502694
Energy: 0.8156460815072298
Energy: 0.8828514976321975
Energy: 0.8190419167223553
Energy: 0.8828514976321975
Energy: 0.8160284417741531
Energy: 0.8878768424564154
Energy: 0.8090549755232115
Energy: 0.88787684245521
Energy: 0.8109935988454844
Energy: 0.8926235206894623
Energy: 0.8143642993615481
Energy: 0.892623520690065
Energy: 0.766894196088656
Energy: 0.8923195150706684
Energy: 0.8148755756509415
Energy: 0.8923195150706684
Energy: 0.8150452988837873
Energy: 0.8829558781690078
Energy: 0.7664332440018412
Energy: 0.8829558781690078
Energy: 0.8165375514378661
Energy: 0.8831353398631513
Energy: 0.8169523197159404
Energy: 0.8831353398631513
Energy: 0.7418548101274997
Energy: 0.8922553109877506
Energy: 0.8247442514513474
Energy: 0.8922553109883532
Energy: 0.8164940184258705
Energy: 0.8177022296519817
Energy: 0.8130897885610506
Energy: 0.8177022296513788
Energy: 0.8000302103798036
Energy: 0.8828114233627762
Energy: 0.7700746734924917
Energy: 0.8828114233621733
Energy: 0.8120166780328845
Energy: 0.874387801914942
Energy: 0.8070506580903213
Energy: 0.874387801914942
Energy: 0.7270614446032523
Energy: 0.8926581503584625
Energy: 0.7677100726202517
Energy: 0.8926581503578598
Energy: 0.7988163983914501
Energy: 0.8833973112258249
Energy: 0.7769028329891154
Energy: 0.8833973112264275
Energy: 0.7778142873784237
Energy: 0.8870126936242794
Energy: 0.817863299074392
Energy: 0.8870126936254848
Energy: 0.7259902770615999
Energy: 0.8924353418673635
Energy: 0.7269599201761593
Energy: 0.8924353418673635
Energy: 0.812603403614969
Energy: 0.8871445754672079
Energy: 0.8114744910604859
Energy: 0.8871445754678106
Energy: 0.7209217697265041
Energy: 0.8826827073205313
Energy: 0.8150978730449275
Energy: 0.8826827073205313
Energy: 0.8161485090851067
Energy: 0.8899250550792068
Energy: 0.8070273375709357
Energy: 0.8899250550780015
Energy: 0.827350286930174
Energy: 0.8922320130851168
Energy: 0.8019319797571248
Energy: 0.8922320130857195
Energy: 0.8233948236833887
Energy: 0.8871858928806912
Energy: 0.81548825034682
Energy: 0.8871858928806912
Energy: 0.7996067980556044
Energy: 0.8832420206779109
Energy: 0.8164695475445911
Energy: 0.8832420206773083
Energy: 0.8088881516058634
Energy: 0.8990262466952214
Energy: 0.8135743614523528
Energy: 0.8990262466952214

minimum gb energy = 0.7209217697265041 eV
minimum distance =  2.54182179994895 Angstroms
sigma value = 1


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

Energy: 1.0432270310523621
Energy: 0.9617794487486142
Energy: 0.8204044728545261
Energy: 0.9617794487486142
Energy: 0.8634748062917089
Energy: 0.9306773964788327
Energy: 0.8658637009151839
Energy: 0.9306773964781456
Energy: 0.768781530730898
Energy: 0.9620820283708132
Energy: 0.8701879413214777
Energy: 0.9620820283708132
Energy: 0.8595949164774724
Energy: 0.9214065530656087
Energy: 0.8296397657080312
Energy: 0.921406553066983
Energy: 0.8599277845147776
Energy: 0.9480351612344662
Energy: 0.8597429720057705
Energy: 0.9480351612337791
Energy: 0.8724241531609691
Energy: 0.9484821255012909
Energy: 0.8599577834356064
Energy: 0.9484821254992294
Energy: 0.85995381400104
Energy: 0.9199271537573872
Energy: 0.8699608026705916
Energy: 0.9199271537560127
Energy: 0.7688250077667581
Energy: 0.9620016220372327
Energy: 0.816928642061857
Energy: 0.9620016220358584
Energy: 0.8602481420712522
Energy: 0.8816754738134117
Energy: 0.8656894035147792
Energy: 0.8816754738147862
Energy: 0.883578393695683
Energy: 0.9619804210855551
Energy: 0.820750055065351
Energy: 0.9619804210855551
Energy: 0.8599331069602537
Energy: 0.9476882814375991
Energy: 0.8698428553315368
Energy: 0.9476882814410351
Energy: 0.814802005257587
Energy: 0.9549351399968238
Energy: 0.8700890680897824
Energy: 0.9549351399981981
Energy: 0.8776190243925791
Energy: 0.9479492545381968
Energy: 0.8606306510451872
Energy: 0.947949254538884
Energy: 0.8776604504513932
Energy: 0.9477803713244362
Energy: 0.8596539662178992
Energy: 0.9477803713251234
Energy: 0.8146735829158397
Energy: 0.9548927448187892
Energy: 0.8702958158123821
Energy: 0.9548927448187892
Energy: 0.859909585210347
Energy: 0.9477478587902683
Energy: 0.8699771635995045
Energy: 0.9477478587916427
Energy: 0.8835829852511659
Energy: 0.961976696536849
Energy: 0.7691263240222207
Energy: 0.9619766965361618
Energy: 0.8601780583175979
Energy: 0.8816711493089195
Energy: 0.865691062587644
Energy: 0.8816711493109811
Energy: 0.7688245958261145
Energy: 0.9619792094282313
Energy: 0.8169027186095256
Energy: 0.9619792094268882
Energy: 0.8600749629164728
Energy: 0.9199317971851158
Energy: 0.829506552635831
Energy: 0.9199317971837413
Energy: 0.8724316788118452
Energy: 0.9485515800055456
Energy: 0.8598092984325153
Energy: 0.9485515800082942
Energy: 0.8598784575221852
Energy: 0.9481830363638545
Energy: 0.8596922218822249
Energy: 0.9481830363624801
Energy: 0.8597577818052977
Energy: 0.9212744437292746
Energy: 0.8698347750744586
Energy: 0.9212744437258386
Energy: 0.7688194318741138
Energy: 0.9616309897166615
Energy: 0.8705451229351041
Energy: 0.961630989715287
Energy: 0.8634745787696373
Energy: 0.9306367720015795
Energy: 0.8658004671892573
Energy: 0.9306367720002052
Energy: 1.0432270310516747
Energy: 0.9617794487486142
Energy: 0.8425113963045374
Energy: 0.9617794487486142
Energy: 0.8634748062923961
Energy: 0.9306773964788327
Energy: 0.8658637009151839
Energy: 0.9306773964781456
Energy: 0.7687815307302109
Energy: 0.9620820283708132
Energy: 0.8701879413214777
Energy: 0.9620820283701261
Energy: 0.8595949164774724
Energy: 0.9214065530649215
Energy: 0.8296397657094057
Energy: 0.9214065530662959

minimum gb energy = 0.7687815307302109 eV
minimum distance =  2.51974064479189 Angstroms
sigma value = 25


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

Energy: 0.9615744099236753
Energy: 1.0249439626241172
Energy: 0.8844843604105223
Energy: 1.0249439626241172
Energy: 0.8839429469195266
Energy: 0.9908523469254408
Energy: 0.9297764662104935
Energy: 0.9908523469254408
Energy: 0.8232418710650949
Energy: 1.0463742710335413
Energy: 0.9299778404645628
Energy: 1.0463742710327424
Energy: 0.923278380166605
Energy: 1.0142972428882377
Energy: 0.8847867457283572
Energy: 1.0142972428882377
Energy: 0.8847149010212831
Energy: 1.024687790488655
Energy: 0.8805640566398966
Energy: 1.024687790488655
Energy: 0.949300865191796
Energy: 1.0462756729619314
Energy: 0.9315133295398698
Energy: 1.0462756729627303
Energy: 0.9312598336560891
Energy: 0.9355348823886452
Energy: 0.9055088625212644
Energy: 0.9355348823886452
Energy: 0.9432348881678396
Energy: 1.0247053038753215
Energy: 0.8356574076743467
Energy: 1.0247053038761202
Energy: 0.905546210431977
Energy: 0.9893324049861598
Energy: 0.9312942322375372
Energy: 0.9893324049861598
Energy: 0.9297919128846592
Energy: 1.046285289755428
Energy: 0.8767268844260039
Energy: 1.046285289756227
Energy: 0.9266843406271559
Energy: 1.0245476815212746
Energy: 0.9295460953574841
Energy: 1.0245476815212746
Energy: 0.8849849231504062
Energy: 1.0247213627619975
Energy: 0.9293869380541037
Energy: 1.0247213627611986
Energy: 0.9302684483727002
Energy: 1.0052700935779402
Energy: 0.876951743862017
Energy: 1.005270093578739
Energy: 0.9054929450613214
Energy: 0.9309498760079976
Energy: 0.9312524733878453
Energy: 0.9309498760071988
Energy: 0.8239698576908493
Energy: 1.0249543383716169
Energy: 0.8341106710822891
Energy: 1.0249543383716169
Energy: 0.9298626871967988
Energy: 0.9353763355411002
Energy: 0.8844595464608617
Energy: 0.935376335541899
Energy: 0.8229991340117674
Energy: 1.0464135116093765
Energy: 0.8229862793008067
Energy: 1.0464135116093765
Energy: 0.885178279280513
Energy: 1.025129676898935
Energy: 0.9230997656011775
Energy: 1.025129676899734
Energy: 0.8807245040448111
Energy: 1.0057797302141829
Energy: 0.8847029800247616
Energy: 1.0057797302133842
Energy: 0.8840511519951515
Energy: 1.0461816242209738
Energy: 0.9314688536716462
Energy: 1.0461816242201751
Energy: 0.9385961110025122
Energy: 1.0034790799169384
Energy: 0.9310499760928622
Energy: 1.0034790799161395
Energy: 0.9472978808179168
Energy: 1.0246642222838394
Energy: 0.93289431796503
Energy: 1.0246642222838394
Energy: 0.931119250046206
Energy: 0.9938837927587123
Energy: 0.9297243897345175
Energy: 0.9938837927587123
Energy: 0.8237342691505087
Energy: 1.046195975700728
Energy: 0.9297452341959381
Energy: 1.046195975699929
Energy: 0.9296208778261158
Energy: 1.0075913757135506
Energy: 0.8852601461027673
Energy: 1.0075913757135506

minimum gb energy = 0.8229862793008067 eV
minimum distance =  2.52538978153878 Angstroms
sigma value = 9


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

Energy: 1.0634248379190008
Energy: 1.0411075586163379
Energy: 0.9586705823289033
Energy: 1.0411075586153848
Energy: 0.9685798226683113
Energy: 1.0794316689624148
Energy: 0.9992872637651693
Energy: 1.0794316689614618
Energy: 0.8826799312564638
Energy: 1.041310749975368
Energy: 0.9544883914779209
Energy: 1.0413107499763208
Energy: 1.0098932315034872
Energy: 1.1206694275771591
Energy: 0.9068235178082957
Energy: 1.1206694275771591
Energy: 1.037339129298483
Energy: 1.0795135357240941
Energy: 0.9864018775143037
Energy: 1.0795135357250474
Energy: 0.8821009684453325
Energy: 1.017274016545192
Energy: 0.8998213626554427
Energy: 1.0172740165461447
Energy: 1.0112807919998368
Energy: 0.9071525117500842
Energy: 0.9085626910534311
Energy: 0.9071525117500842
Energy: 0.958616607772974
Energy: 1.0181828978510574
Energy: 0.9000983619051404
Energy: 1.0181828978520102
Energy: 1.011439475474923
Energy: 1.0794953999061863
Energy: 0.9543249264116425
Energy: 1.0794953999061863
Energy: 1.0094280346334212
Energy: 1.0111789588746045
Energy: 0.9069216376487363
Energy: 1.0111789588746045
Energy: 0.9456345099893145
Energy: 1.100285333446043
Energy: 0.954469749287156
Energy: 1.1002853334450902
Energy: 1.009721549656114
Energy: 1.042666636009728
Energy: 0.9068286421946253
Energy: 1.042666636009728
Energy: 0.8824882911249713
Energy: 1.041372864370993
Energy: 0.9161452325316597
Energy: 1.041372864370993
Energy: 0.9438461046908004
Energy: 1.0176767191078155
Energy: 0.9993679867955153
Energy: 1.0176767191078155
Energy: 0.8824948703268146
Energy: 1.0412899429404354
Energy: 0.9585966108147951
Energy: 1.0412899429423415
Energy: 1.0096334874241213
Energy: 1.0405099188810338
Energy: 0.9068288330044645
Energy: 1.0405099188819869
Energy: 0.9456394261209798
Energy: 1.1002747722185184
Energy: 0.9990751433350539
Energy: 1.1002747722175654
Energy: 1.0094006364794366
Energy: 1.0112252696234023
Energy: 0.9069710506453691
Energy: 1.011225269624355
Energy: 1.0113657101265632
Energy: 1.0794896857169216
Energy: 0.9990321066864943
Energy: 1.0794896857159684
Energy: 0.958810772038904
Energy: 1.0179982189211885
Energy: 0.9001542090032567
Energy: 1.0179982189221415
Energy: 1.0112796661200487
Energy: 0.9071516029550033
Energy: 0.9084656170289542
Energy: 0.9071516029540504

minimum gb energy = 0.8821009684453325 eV
minimum distance =  2.61256119446891 Angstroms
sigma value = 25


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

Energy: 0.9684105927219266
Energy: 1.1886011619525672
Energy: 1.0455454335697272
Energy: 1.1886011619525672
Energy: 0.957228117251135
Energy: 0.9563147051358132
Energy: 0.9478698313720145
Energy: 0.9563147051346348
Energy: 0.9486441320199323
Energy: 1.2086725368239803
Energy: 0.947760114885525
Energy: 1.2086725368251587
Energy: 0.9662338788460287
Energy: 0.9899747320259527
Energy: 1.038812396277729
Energy: 0.9899747320247742
Energy: 1.0391261557141498
Energy: 0.9567706835017785
Energy: 0.9781099705954067
Energy: 0.9567706835017785
Energy: 0.9486596305661475
Energy: 1.2076668420924732
Energy: 0.948772344954885
Energy: 1.2076668420924732
Energy: 0.9797732651511903
Energy: 0.9592160894885164
Energy: 0.9477949543187603
Energy: 0.9592160894885164
Energy: 1.0388369208197012
Energy: 1.1890413305648049
Energy: 0.9657963650966199
Energy: 1.1890413305648049
Energy: 0.947757394274986
Energy: 1.0944711579055184
Energy: 0.9569486359168985
Energy: 1.0944711579055184
Energy: 1.070853677422061
Energy: 0.9770249418648619
Energy: 0.948370220840032
Energy: 0.9770249418648619
Energy: 0.9905165807701138
Energy: 1.1899721616769878
Energy: 1.124651931424569
Energy: 1.1899721616769878
Energy: 0.9478895466827356
Energy: 0.977014277872179
Energy: 1.0706157155537908
Energy: 0.9770142778710005
Energy: 1.0460287746619996
Energy: 0.9664386232312473
Energy: 0.9483296455879884
Energy: 0.9664386232300689
Energy: 0.9477446439410153
Energy: 0.9589883725336247
Energy: 0.9663735207337266
Energy: 0.9589883725348032
Energy: 0.9784272047731145
Energy: 1.1895593971376892
Energy: 1.0395743922643257
Energy: 1.1895593971388678
Energy: 0.9570201280949424
Energy: 1.0063470423411813
Energy: 0.9484813172224864
Energy: 1.006347042340003
Energy: 0.947853130945576
Energy: 1.0250212733110393
Energy: 1.0710745927805094
Energy: 1.0250212733122177

minimum gb energy = 0.9477446439410153 eV
minimum distance =  2.59363438376884 Angstroms
sigma value = 17


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

Energy: 1.106990792659809
Energy: 1.1045696824541988
Energy: 1.159357452532548
Energy: 1.1045696824541988
Energy: 1.0688245728619277
Energy: 1.034874565680683
Energy: 0.9766626357514658
Energy: 1.034874565680683
Energy: 1.0620406021113498
Energy: 1.0413410263779552
Energy: 0.976595856784524
Energy: 1.0413410263779552
Energy: 0.9785408927920134
Energy: 0.9857237978001452
Energy: 1.0358271996059303
Energy: 0.9857237977994777
Energy: 1.0862030824919613
Energy: 1.0401470083245685
Energy: 1.004002522799584
Energy: 1.0401470083245685
Energy: 0.9863318412863952
Energy: 1.0062227635804535
Energy: 1.0556591857092377
Energy: 1.0062227635804535
Energy: 0.9802688867385286
Energy: 1.0333366496972525
Energy: 0.9767314091711667
Energy: 1.0333366496965852
Energy: 1.0565641780011885
Energy: 0.9855323164036557
Energy: 0.9830050435172679
Energy: 0.9855323164043233
Energy: 0.9834728771115743
Energy: 1.0723491636185558
Energy: 1.088067553273862
Energy: 1.0723491636198907
Energy: 1.1417923151140887
Energy: 1.018411054956414
Energy: 0.976820596576355
Energy: 1.0184110549557466
Energy: 0.980554897422292
Energy: 0.9852504042362863
Energy: 1.0650727855916788
Energy: 0.9852504042369539
Energy: 0.983399350772276
Energy: 1.033529759538408
Energy: 0.9834230411742761
Energy: 1.033529759538408
Energy: 1.0645460603156094
Energy: 0.9850759186039811
Energy: 0.9827747459288277
Energy: 0.9850759186019787
Energy: 0.9769458519876784
Energy: 1.079712018052375
Energy: 1.0690354655290701
Energy: 1.079712018052375
Energy: 1.0466057670650888
Energy: 1.0331119976453047
Energy: 0.9836566759470938
Energy: 1.0331119976459722
Energy: 1.0613663969384441
Energy: 1.0469413510702181
Energy: 1.0568078107977137
Energy: 1.0469413510715533
Energy: 0.9768157037808022
Energy: 1.0619034846284843
Energy: 1.1436014419817078
Energy: 1.0619034846271493
Energy: 1.079171334512533
Energy: 0.979862827740646
Energy: 0.9862844337832155
Energy: 0.9798628277413135
Energy: 0.9966523372677287
Energy: 1.034599872941925
Energy: 1.0465289273178502
Energy: 1.034599872941925
Energy: 0.9765295090495262
Energy: 0.9861175804231523
Energy: 0.9787669006499184
Energy: 0.9861175804238198
Energy: 1.0170623085890158
Energy: 1.058305018932736
Energy: 1.0618896509885005
Energy: 1.058305018932736
Energy: 0.9768093550114745
Energy: 1.0883221646770809
Energy: 1.1443388065352122
Energy: 1.0883221646764134
Energy: 1.0977524660953073
Energy: 1.0465123451911178
Energy: 0.9773367420148352
Energy: 1.0465123451911178
Energy: 0.982992055862884
Energy: 1.0333206185849002
Energy: 1.0629781159601863
Energy: 1.0333206185849002
Energy: 0.9827305971096256
Energy: 0.9789688582829517
Energy: 1.0623910672418988
Energy: 0.9789688582816167
Energy: 1.0778400764492537
Energy: 0.9861144785850628
Energy: 0.9782706999340167
Energy: 0.9861144785764162
Energy: 0.9768314294167066
Energy: 1.0883221414110984
Energy: 1.16675010457254
Energy: 1.0883221414110984
Energy: 1.0557597358914088
Energy: 0.983913409956414
Energy: 1.062818440619305
Energy: 0.9839134099530766
Energy: 1.1276215023526435
Energy: 1.0827418741344643
Energy: 0.9798639799879594
Energy: 1.0827418741344643
Energy: 0.9830181233474675
Energy: 1.0712903338979174
Energy: 1.0791123259892197
Energy: 1.071290333898585

minimum gb energy = 0.9765295090495262 eV
minimum distance =  2.58872397297891 Angstroms
sigma value = 53


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

Energy: 0.9581321968033769
Energy: 0.9569519608163631
Energy: 1.1043227635457749
Energy: 0.9569519608169741
Energy: 1.0995238431266987
Energy: 1.0257684312681277
Energy: 1.021755004798008
Energy: 1.0257684312673596
Energy: 0.9588013873179889
Energy: 0.9567040492826361
Energy: 1.103565378136808
Energy: 0.9567040492832473
Energy: 0.9588210324441031
Energy: 0.9566677834342424
Energy: 0.9713348881657168
Energy: 0.9566677834342424
Energy: 1.0996278485667073
Energy: 1.0257912875189852
Energy: 1.0344514103716038
Energy: 1.0257912875189852
Energy: 0.9581321968033769
Energy: 0.9569519608162059
Energy: 1.145868931130494
Energy: 0.9569519608163631
Energy: 1.0995238431269958
Energy: 1.0257684312685817
Energy: 1.070022195866315
Energy: 1.0257684312679705
Energy: 0.9588013873181285
Energy: 0.9567040492835615
Energy: 1.103565378149869
Energy: 0.95670404928309
Energy: 0.958821032443492
Energy: 0.9566677834346965
Energy: 1.0213472793341225
Energy: 0.9566677834343996
Energy: 1.0996278485654676
Energy: 1.0257912875191422
Energy: 1.0822874290240758
Energy: 1.0257912875192818
Energy: 0.9581321968039882
Energy: 0.9569519608163631
Energy: 1.2041982141342915
Energy: 0.9569519608166773
Energy: 1.0995238431266987
Energy: 1.0257684312684419
Energy: 1.0700197990661262
Energy: 1.0257684312676738
Energy: 0.9588013873179889
Energy: 0.9567040492824789
Energy: 1.1035653781414176
Energy: 0.95670404928309

minimum gb energy = 0.9566677834342424 eV
minimum distance =  2.5756877572809 Angstroms
sigma value = 9


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

Energy: 1.0353039372208865
Energy: 1.1882864918208413
Energy: 1.2708629046001374
Energy: 1.1882864918214098
Energy: 1.1180889077812919
Energy: 1.0557602703824802
Energy: 1.0054507661607646
Energy: 1.0557602703819116
Energy: 1.003310473320691
Energy: 1.0251264792199475
Energy: 1.0132240594873247
Energy: 1.0251264792199475
Energy: 1.0830099214105153
Energy: 1.1522674426408501
Energy: 1.0057039090839273
Energy: 1.1522674426414186
Energy: 1.126833080426902
Energy: 1.0739964555713046
Energy: 1.0166131072301294
Energy: 1.0739964555713046
Energy: 1.026176967799847
Energy: 1.0251163500586822
Energy: 1.0789410885283717
Energy: 1.0251163500575449
Energy: 1.2384138436023864
Energy: 1.0710260089124595
Energy: 1.0113447766931472
Energy: 1.0710260089118908
Energy: 1.008032742156415
Energy: 1.1373015559718667
Energy: 1.0949015239785829
Energy: 1.1373015559712978
Energy: 1.0055341247749954
Energy: 1.1638727501579442
Energy: 1.026560225175547
Energy: 1.1638727501551007
Energy: 1.004121223286027
Energy: 1.0627109832512849
Energy: 1.0106863415450251
Energy: 1.0627109832501473
Energy: 1.0095486676026604
Energy: 1.091138693124089
Energy: 1.2131062208066048
Energy: 1.0911386931252265
Energy: 1.105568935732908
Energy: 1.1821794517210944
Energy: 1.007138368578058
Energy: 1.1821794517228004
Energy: 1.005594248900848
Energy: 1.070200303193829
Energy: 1.1610777237720011
Energy: 1.0702003031943976
Energy: 1.0865616840371446
Energy: 1.0914650771680168
Energy: 1.0363167839585676
Energy: 1.0914650771657421
Energy: 1.010022938718376
Energy: 1.1013652749688159
Energy: 1.0933559858680792
Energy: 1.1013652749682472
Energy: 1.0072521531933167
Energy: 1.1624947719940864
Energy: 1.0830246667858359
Energy: 1.1624947719940864
Energy: 1.0606626519308233
Energy: 1.1012713729372858
Energy: 1.0099092068839322
Energy: 1.1012713729367172
Energy: 1.0117926678544962
Energy: 1.071676335402388
Energy: 1.1253329724130376
Energy: 1.071676335401819
Energy: 1.1333103035427947
Energy: 1.069613211555403
Energy: 1.0265089068681152
Energy: 1.0696132115536967
Energy: 1.0074763405176554
Energy: 1.0705693819619804
Energy: 1.0714773944479101
Energy: 1.0705693819619804
Energy: 1.081625784333942
Energy: 1.1520475509777104
Energy: 1.0845231253779213
Energy: 1.152047550978279
Energy: 1.0735790762012292
Energy: 1.1095836928133889
Energy: 1.0040044786291094
Energy: 1.1095836928133889
Energy: 1.0264030119406218
Energy: 1.111691435515989
Energy: 1.005349876484381
Energy: 1.111691435516558
Energy: 1.2432451784995537
Energy: 1.0909344495469666
Energy: 1.0078030755990735
Energy: 1.090934449550379
Energy: 1.0119516655917977
Energy: 1.1560916359451912
Energy: 1.1818255639132536
Energy: 1.1560916359451912
Energy: 1.0417472468583002
Energy: 1.0251191913359525
Energy: 1.0039264687713576
Energy: 1.0251191913353837
Energy: 1.051919088412616
Energy: 1.145030120292411
Energy: 1.082446701443512
Energy: 1.1450301202935482
Energy: 1.013109160668387
Energy: 1.1562270367161074
Energy: 1.0829754701601355
Energy: 1.156227036717245
Energy: 1.0507323866197875
Energy: 1.0249101889160541
Energy: 1.0035618345213198
Energy: 1.0249101889154855
Energy: 1.0054931509683718
Energy: 1.1561204803323504
Energy: 1.1825757756899133
Energy: 1.1561204803306442
Energy: 1.2181583965568128
Energy: 1.2438594615480123
Energy: 1.0072580731213219
Energy: 1.243859461548581
Energy: 1.0233552387976481
Energy: 1.0677449552965197
Energy: 1.0040987832170765
Energy: 1.0677449552948133
Energy: 1.0123851870905443
Energy: 1.1090342172478327
Energy: 1.0036697961753966
Energy: 1.1090342172478327
Energy: 1.0816017771998945
Energy: 1.1546778849850428
Energy: 1.0826795450357998
Energy: 1.1546778849856116
Energy: 1.0080666208611806
Energy: 1.1308248085546875
Energy: 1.2382393577911042
Energy: 1.1308248085558248

minimum gb energy = 1.003310473320691 eV
minimum distance =  2.56993711346004 Angstroms
sigma value = 73


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

Energy: 1.1103884615524275
Energy: 1.0614281735892497
Energy: 1.2126382913010973
Energy: 1.0614281735892497
Energy: 1.0708762823817979
Energy: 1.1004024607336291
Energy: 1.006502925293854
Energy: 1.1004024607345315
Energy: 1.0093825524332842
Energy: 1.1959208665817918
Energy: 1.015374648526852
Energy: 1.195920866579987
Energy: 1.0003173182524034
Energy: 1.1467397914280308
Energy: 1.027418240446121
Energy: 1.1467397914280308
Energy: 1.043775132868607
Energy: 1.1020462944406102
Energy: 1.0145747792124544
Energy: 1.1020462944415126
Energy: 1.0248480818420083
Energy: 1.1975227040652892
Energy: 1.13676820472857
Energy: 1.197522704064387
Energy: 1.2377840074084752
Energy: 1.144505186805797
Energy: 1.0071912426781884
Energy: 1.1445051868048945
Energy: 1.0104695073987289
Energy: 1.033028481232917
Energy: 1.2045061937166106
Energy: 1.0330284812338193
Energy: 1.1895238655856737
Energy: 1.0082161120934874
Energy: 1.0075369499061249
Energy: 1.0082161120934874
Energy: 1.0084096412261334
Energy: 1.0827618606143503
Energy: 1.008024910181223
Energy: 1.0827618606143503
Energy: 1.0118745814600154
Energy: 1.0082268221784918
Energy: 1.1444894847371947
Energy: 1.0082268221784918
Energy: 1.1259179075697963
Energy: 1.1449025915708966
Energy: 1.0000270344142084
Energy: 1.1449025915672875
Energy: 1.0246964981363555
Energy: 1.0835627458865877
Energy: 1.2206965680818542
Energy: 1.0835627458865877
Energy: 1.1786152000729904
Energy: 1.133830612204214
Energy: 1.0234661522203479
Energy: 1.1338306122033117
Energy: 1.0123961797443963
Energy: 1.148520861441454
Energy: 1.161205485430324
Energy: 1.148520861442356
Energy: 1.1443576380868032
Energy: 1.0323368466747438
Energy: 1.0107346648448103
Energy: 1.0323368466756462
Energy: 1.061196906016999
Energy: 1.061260668644326
Energy: 1.009378499627366
Energy: 1.061260668644326
Energy: 1.0609234173784927
Energy: 1.15958040280984
Energy: 1.009462879035477
Energy: 1.15958040280984
Energy: 0.9980991066278512
Energy: 1.0340404133492134
Energy: 1.009904157512919
Energy: 1.0340404133492134
Energy: 1.0066147761265627
Energy: 1.0881430792588898
Energy: 1.243266571915812
Energy: 1.0881430792588898
Energy: 1.155520695166704
Energy: 1.1957416583226137
Energy: 1.024071142344128
Energy: 1.1957416583226137
Energy: 1.0277777652063265
Energy: 1.1046993805529832
Energy: 1.0702384156615847
Energy: 1.1046993805529832

minimum gb energy = 0.9980991066278512 eV
minimum distance =  2.54024453350303 Angstroms
sigma value = 7


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

Energy: 1.0571130926251224
Energy: 1.054925545558994
Energy: 1.190721568997634
Energy: 1.05492554555708
Energy: 1.221707684432353
Energy: 1.0846297304019996
Energy: 1.029023782157587
Energy: 1.0846297304058279
Energy: 1.019792055433131
Energy: 1.0517143666276363
Energy: 1.0270984735743562
Energy: 1.0517143666276363
Energy: 1.0206691533523327
Energy: 1.0944664271189388
Energy: 1.0290302655725199
Energy: 1.094466427122767
Energy: 1.0199880927670089
Energy: 1.0911033392538456
Energy: 1.0256555744423577
Energy: 1.0911033392525695
Energy: 1.0190364287899767
Energy: 1.0287561154388134
Energy: 1.1619797123208486
Energy: 1.028756115437537
Energy: 1.1278815321600892
Energy: 1.1318992562243366
Energy: 1.025438919309261
Energy: 1.131899256214128
Energy: 1.0189800859960898
Energy: 1.029095186576649
Energy: 1.1793668938366524
Energy: 1.0290951865804772
Energy: 1.1498206685644357
Energy: 1.082688396222894
Energy: 1.0293941390237065
Energy: 1.082688396222894
Energy: 1.0192264116966063
Energy: 1.09805705857135
Energy: 1.1093634482824415
Energy: 1.0980570585726261
Energy: 1.0243209592275853
Energy: 1.1679191175142967
Energy: 1.0227972717939122
Energy: 1.1679191175123822
Energy: 1.0319074229505878
Energy: 1.09134525244695
Energy: 1.020682538613583
Energy: 1.0913452524456742
Energy: 1.027754678664777
Energy: 1.032191550251028
Energy: 1.0229884214513782
Energy: 1.0321915502465615
Energy: 1.028010110640912
Energy: 1.047962038587005
Energy: 1.0203545216786736
Energy: 1.047962038585729
Energy: 1.0182960076986007
Energy: 1.154427574734484
Energy: 1.2419052279503782
Energy: 1.154427574734484
Energy: 1.2791429292276852
Energy: 1.047759116703316
Energy: 1.0294254907120228
Energy: 1.04775911670204
Energy: 1.0182551783850462
Energy: 1.0887571007261896
Energy: 1.05037296761914
Energy: 1.0887571007261896
Energy: 1.024089459500674
Energy: 1.0534693425626849
Energy: 1.0204296766242043
Energy: 1.0534693425684272
Energy: 1.0185869485014
Energy: 1.1690453949418196
Energy: 1.0229030699466253
Energy: 1.1690453949411814
Energy: 1.0191168252557843
Energy: 1.0892268386045891
Energy: 1.0207334397256353
Energy: 1.089226838605227
Energy: 1.0241674862333354
Energy: 1.1679924163835274
Energy: 1.0294273320873668
Energy: 1.1679924163867175
Energy: 1.0190344822656048
Energy: 1.0490529053411497
Energy: 1.114453033335643
Energy: 1.0490529053405118
Energy: 1.189392097447179
Energy: 1.0822184856244093
Energy: 1.0255910049516783
Energy: 1.0822184856224952
Energy: 1.0537627655392479
Energy: 1.0287512964731444
Energy: 1.1620135022988805
Energy: 1.0287512964776109
Energy: 1.0365620856086732
Energy: 1.089005113668126
Energy: 1.0256422082588499
Energy: 1.08900511366685
Energy: 1.020689386928644
Energy: 1.165573031900485
Energy: 1.0190445941012871
Energy: 1.165573031901123
Energy: 1.0198932447606937
Energy: 1.1006135942436603
Energy: 1.0257209697812766
Energy: 1.1006135942417465
Energy: 1.0206544882338036
Energy: 1.0894198818180967
Energy: 1.0289019901348584
Energy: 1.0894198818244771
Energy: 1.0193074649067815
Energy: 1.0549528916675501
Energy: 1.082790276148376
Energy: 1.0549528916681878
Energy: 1.2829042068019894
Energy: 1.042610691204577
Energy: 1.0288683574348716
Energy: 1.042610691200749
Energy: 1.0193143622627698
Energy: 1.0549639787883704
Energy: 1.192793860385347
Energy: 1.0549639787890086

minimum gb energy = 1.0182551783850462 eV
minimum distance =  2.52463335385891 Angstroms
sigma value = 29


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

Energy: 1.010919214518923
Energy: 1.003685087684644
Energy: 0.9894060123619706
Energy: 1.003685087684644
Energy: 0.9851694277854351
Energy: 1.012666810608959
Energy: 1.0125111826819404
Energy: 1.012666810609601
Energy: 0.9899198716850098
Energy: 1.0785701811927944
Energy: 0.9887920481313508
Energy: 1.0785701811927944
Energy: 1.0125107649120844
Energy: 1.0506407972990293
Energy: 1.012452392181835
Energy: 1.0506407972953251
Energy: 1.0107518199151304
Energy: 1.0589141577178918
Energy: 0.9871171824876399
Energy: 1.058914157718114
Energy: 0.9812757446283691
Energy: 1.077362009890036
Energy: 0.9812694081121954
Energy: 1.0773620098893695
Energy: 0.9890924017975272
Energy: 1.0588968942303938
Energy: 1.0107594652745344
Energy: 1.0588968942303938
Energy: 1.0126122606113188
Energy: 1.0506769859302194
Energy: 1.0125422084806643
Energy: 1.0506769859289107
Energy: 0.988632148275122
Energy: 1.0785295457320603
Energy: 0.9907744246068957
Energy: 1.0785295457322825

minimum gb energy = 0.9812694081121954 eV
minimum distance =  2.56253333697378 Angstroms
sigma value = 5


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

Energy: 0.9697579821373139
Energy: 0.9669855575363259
Energy: 1.1165648469853828
Energy: 0.966985557538134
Energy: 1.1103092488069082
Energy: 1.009996627473078
Energy: 0.9179332059111359
Energy: 1.0099966274718724
Energy: 0.920503182111874
Energy: 0.9615445826566816
Energy: 1.1217955156879515
Energy: 0.9615445826548734
Energy: 0.9270213633385301
Energy: 1.000828154009618
Energy: 0.947786036187984
Energy: 1.0008281540084123
Energy: 0.9300422416760826
Energy: 1.0086828223915996
Energy: 1.1273461969738168
Energy: 1.0086828223891888
Energy: 0.9492457270724314
Energy: 0.9738966090870376
Energy: 0.9326734453725869
Energy: 0.9738966090882429
Energy: 0.9313907217264179
Energy: 1.014351040287321
Energy: 0.9321971804231336
Energy: 1.0143510402867182
Energy: 0.9318895160152971
Energy: 0.9750581325756938
Energy: 0.9180173651922583
Energy: 0.9750581325781046
Energy: 0.9477170398320749
Energy: 1.0022322991608121
Energy: 0.927372306408068
Energy: 1.0022322991638253
Energy: 0.9473068567934294
Energy: 1.0046888503910638
Energy: 0.9248961550275272
Energy: 1.0046888503928721
Energy: 0.9159663129732493
Energy: 1.0012579415384497
Energy: 0.9210888559301856
Energy: 1.0012579415384497
Energy: 0.9163848740173023
Energy: 1.1135972640447895
Energy: 1.0604347516360415
Energy: 1.1135972640459948
Energy: 0.9586852937636943
Energy: 0.9727599738384396
Energy: 0.9698478925694215
Energy: 0.9727599738390422
Energy: 0.929947563916895
Energy: 0.9727334741430261
Energy: 0.9528677059482681
Energy: 0.9727334741400125
Energy: 1.0926540455527274
Energy: 0.929471813740626
Energy: 0.9209196785262351
Energy: 0.9294718137424341
Energy: 0.9482766908118658
Energy: 0.9540187670158481
Energy: 1.1200695817096915
Energy: 0.9540187670152455
Energy: 1.1269472003661605
Energy: 0.9366032902444515
Energy: 0.9184851878053881
Energy: 0.9366032902408353
Energy: 0.935960516421773
Energy: 0.9725934239439712
Energy: 0.9822190888311536
Energy: 0.9725934239427657
Energy: 0.935255996805462
Energy: 1.0155871402371042
Energy: 0.9319345459849109
Energy: 1.0155871402383096
Energy: 0.9164906755080344
Energy: 1.0156298564866064
Energy: 0.9626763940848786
Energy: 1.0156298564847985
Energy: 0.9134621192585533
Energy: 0.9981865402464088
Energy: 0.9477408238281876
Energy: 0.9981865402470115
Energy: 0.9303088447424978
Energy: 1.0043297068029549
Energy: 0.9475135515667927
Energy: 1.0043297068023522
Energy: 0.9222996435994457
Energy: 0.9738658313911873
Energy: 0.9148013035683675
Energy: 0.9738658313893791
Energy: 1.0623511115444615
Energy: 0.971686998407723
Energy: 0.916411999788279
Energy: 0.9716869984095311
Energy: 1.0632380051270685
Energy: 0.9545382163681221
Energy: 0.9191987506535234
Energy: 0.9545382163693273
Energy: 0.9544881950749113
Energy: 0.9729568441240193
Energy: 0.9299244223585934
Energy: 0.9729568441252248
Energy: 0.9246367824337025
Energy: 0.9928312921384078
Energy: 1.0297100989575192
Energy: 0.9928312921384078
Energy: 0.9497283826201612
Energy: 1.0018706069453338
Energy: 0.9481679864753925
Energy: 1.0018706069453338
Energy: 0.9168996906321382
Energy: 0.9341962911918161
Energy: 1.0458151369781796
Energy: 0.9341962911930214
Energy: 1.148665100505875
Energy: 0.9725635536716939
Energy: 0.9358828297801536
Energy: 0.9725635536698858
Energy: 0.9286652192180351
Energy: 0.9592146849822613
Energy: 1.0267270525485706
Energy: 0.9592146849846721
Energy: 1.1251300993905262
Energy: 0.9699913540299172
Energy: 0.9164681227638727
Energy: 0.96999135403052
Energy: 0.9480777038421787
Energy: 1.001334068322442
Energy: 0.9152413736891573
Energy: 1.001334068320634

minimum gb energy = 0.9134621192585533 eV
minimum distance =  2.55439335239734 Angstroms
sigma value = 1


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

Energy: 0.9289830100972559
Energy: 0.9267605172464226
Energy: 0.8823438964863156
Energy: 0.9267605172464226
Energy: 0.9179608034019278
Energy: 0.9332726615661082
Energy: 0.880025853602819
Energy: 0.9332726615644417
Energy: 0.8587305861627366
Energy: 0.9266625672427337
Energy: 1.2768478694682408
Energy: 0.9266625672435671
Energy: 0.8946238429427329
Energy: 0.9716425283035229
Energy: 0.8799800039617898
Energy: 0.9716425283043563
Energy: 0.8591317608642985
Energy: 1.0063909023029416
Energy: 1.1286122020659592
Energy: 1.0063909023029416
Energy: 0.8598216047298943
Energy: 0.9682113653966784
Energy: 0.8801174137294787
Energy: 0.9682113653966784
Energy: 0.859166634275625
Energy: 1.0067183069504966
Energy: 0.8931332736380417
Energy: 1.0067183069513297
Energy: 0.8595517906243879
Energy: 0.9316658465671308
Energy: 0.8927902285102902
Energy: 0.9316658465671308
Energy: 0.9357512078376687
Energy: 0.9216262337619578
Energy: 0.9040739282359515
Energy: 0.9216262337619578
Energy: 0.9350151768450738
Energy: 0.9215015585954541
Energy: 0.8929877498944547
Energy: 0.9215015585954541
Energy: 0.8597069007445002
Energy: 0.9316474512739518
Energy: 0.9119812639206645
Energy: 0.9316474512739518
Energy: 0.8591809082292206
Energy: 1.0067202805501798
Energy: 0.892992720481953
Energy: 1.0067202805510131
Energy: 0.8598331292306934
Energy: 0.968385769009129
Energy: 0.8801115630383228
Energy: 0.9683857690099623
Energy: 0.8591148422240996
Energy: 1.006420799341807
Energy: 0.9309611990113077
Energy: 1.0064207993409733
Energy: 0.8945235497814998
Energy: 0.9716596020863631
Energy: 0.8799789188937833
Energy: 0.9716596020871964
Energy: 0.858722411387427
Energy: 0.9266799367213363
Energy: 0.9140858502409035
Energy: 0.926679936720503
Energy: 0.9179134674213069
Energy: 0.9333863499166866
Energy: 0.8800236785864357
Energy: 0.9333863499166866
Energy: 0.9289830100972559
Energy: 0.9267605172464226
Energy: 1.0866540523454258
Energy: 0.9267605172464226
Energy: 0.917960803400261
Energy: 0.9332726615661082
Energy: 0.880025853602819
Energy: 0.9332726615636082
Energy: 0.85873058616357
Energy: 0.9266625672435671
Energy: 1.2768478694582406
Energy: 0.9266625672435671
Energy: 0.8946238429435662
Energy: 0.9716425283035229
Energy: 0.8799800039617898
Energy: 0.9716425283043563
Energy: 0.8591317608642985
Energy: 1.006390902303775
Energy: 1.1286122020659592
Energy: 1.0063909023029416
Energy: 0.8598216047298943
Energy: 0.9682113653950117
Energy: 0.880117413730312
Energy: 0.9682113653966784
Energy: 0.859166634275625
Energy: 1.0067183069513297
Energy: 0.8931332736380417
Energy: 1.0067183069513297

minimum gb energy = 0.858722411387427 eV
minimum distance =  2.55093522666472 Angstroms
sigma value = 17


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

Energy: 0.90434112065086
Energy: 0.9022175038980025
Energy: 1.0754793387570203
Energy: 0.9022175038980025
Energy: 1.0412583405403975
Energy: 0.8873131349425978
Energy: 0.8581022972518325
Energy: 0.887313134944143
Energy: 0.8586128484427626
Energy: 0.8901260258323693
Energy: 1.1505592791854766
Energy: 0.8901260258323693
Energy: 0.8863345708222655
Energy: 0.8573059260859841
Energy: 0.8578451863799275
Energy: 0.8573059260844388
Energy: 0.8493003970919677
Energy: 0.9549335245075313
Energy: 1.0278747501012113
Energy: 0.9549335245075313
Energy: 0.8460636977800955
Energy: 1.0532622986970739
Energy: 0.8722225519277554
Energy: 1.053262298697589
Energy: 0.8588722564599677
Energy: 0.9398811682748667
Energy: 0.8937710436493915
Energy: 0.9398811682743516
Energy: 0.8497705263015806
Energy: 1.0641171173749082
Energy: 0.8490106795915405
Energy: 1.064117117374393
Energy: 0.8962495646767099
Energy: 1.060440438063342
Energy: 0.8781596392327815
Energy: 1.0604404380638572
Energy: 0.8968779162700492
Energy: 0.9220057526485969
Energy: 0.8586612838553968
Energy: 0.9220057526480817
Energy: 0.8590389676901816
Energy: 0.9017792399170578
Energy: 0.849212408159105
Energy: 0.9017792399160277
Energy: 0.8590820144447489
Energy: 0.930669410483024
Energy: 0.849498428177777
Energy: 0.9306694104835392
Energy: 0.8456190903711246
Energy: 1.0531970616064068
Energy: 0.8581980735666023
Energy: 1.0531970616074369
Energy: 0.8494841407141355
Energy: 0.9547413613140742
Energy: 0.9097448314597033
Energy: 0.9547413613125288
Energy: 0.8500621646332536
Energy: 1.0470159102440952
Energy: 0.9076535785576292
Energy: 1.0470159102446102
Energy: 0.8589271520767041
Energy: 0.8906731589386359
Energy: 1.0257911699131792
Energy: 0.890673158939666
Energy: 0.8716105254456958
Energy: 1.04657237956814
Energy: 0.858052268059795
Energy: 1.0465723795686552
Energy: 0.8578438680661756
Energy: 0.902661330491717
Energy: 0.8650180900553066
Energy: 0.9026613304901718
Energy: 1.0308026084798856
Energy: 0.9319585913939236
Energy: 0.8584237065751038
Energy: 0.9319585913934085
Energy: 0.8719300185722177
Energy: 0.8904774259238505
Energy: 0.885460613941097
Energy: 0.8904774259223054
Energy: 1.025875556201431
Energy: 0.8798731645074502
Energy: 0.8578897775177912
Energy: 0.8798731645074502
Energy: 0.85796579816761
Energy: 1.079168521417677
Energy: 0.8619442807831889
Energy: 1.0791685214171618
Energy: 0.8684838408250539
Energy: 0.8700956770322134
Energy: 0.8720671713498005
Energy: 0.8700956770322134
Energy: 0.8587713392562636
Energy: 0.9405381863226896
Energy: 1.0409295891645245
Energy: 0.9405381863242349
Energy: 0.8798616907064004
Energy: 0.9029723787533329
Energy: 0.8578523796331933
Energy: 0.902972378753848
Energy: 0.8581022482156434
Energy: 0.9554525938523772
Energy: 0.8714869189603818
Energy: 0.9554525938518622
Energy: 1.0201996909331421
Energy: 0.9136110148451972
Energy: 0.8585605174388771
Energy: 0.9136110148451972
Energy: 0.9093240132513026
Energy: 1.0464385172957469
Energy: 0.8495153348492039
Energy: 1.0464385172957469
Energy: 0.9113743711051466
Energy: 0.9543545500675834
Energy: 0.8494362791350141
Energy: 0.9543545500660381
Energy: 0.8582762919579301
Energy: 1.0531016359552234
Energy: 0.882911268973605
Energy: 1.0531016359552234
Energy: 0.8494739995403237
Energy: 0.9538824704263611
Energy: 0.8588327998604641
Energy: 0.9538824704268761
Energy: 0.849502663147211
Energy: 1.043177731559347
Energy: 0.8587083921597608
Energy: 1.043177731566558
Energy: 0.8587156324516276
Energy: 0.9217984690442621
Energy: 1.0443083622057636
Energy: 0.9217984690432319
Energy: 0.8836257840282915
Energy: 1.0603375411988443
Energy: 0.872709791263376
Energy: 1.060337541198329
Energy: 0.8489395579549481
Energy: 0.9034311917154576
Energy: 0.8750636303086062
Energy: 0.9034311917154576
Energy: 0.8928846611950237
Energy: 0.9404168603645723
Energy: 0.8587194973227031
Energy: 0.9404168603640807
Energy: 0.8719291800003307
Energy: 1.0534281381660655
Energy: 0.8457441331639426
Energy: 1.0534281381665807
Energy: 1.0264160025053064
Energy: 0.9556604930774378
Energy: 0.8580406355397404
Energy: 0.9556604930764077

minimum gb energy = 0.8456190903711246 eV
minimum distance =  2.53834079549158 Angstroms
sigma value = 89


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

Energy: 0.8006341947418089
Energy: 0.7992539425540154
Energy: 1.2443677226877328
Energy: 0.7992539425537396
Energy: 0.7994054907716194
Energy: 0.8282771225704263
Energy: 0.8015205581165221
Energy: 0.8282771225712379
Energy: 0.8052139710513261
Energy: 0.9390007941199351
Energy: 1.2428039511180946
Energy: 0.939000794119399
Energy: 0.787362059180302
Energy: 0.8283007435143165
Energy: 0.8016090748766244
Energy: 0.8283007435153885
Energy: 0.8009374992585087
Energy: 0.8725301290450047
Energy: 0.8018024210781483
Energy: 0.8725301290455408
Energy: 0.8000237804860313
Energy: 0.7999829602831049
Energy: 0.8020785782160614
Energy: 0.799982960282967
Energy: 0.8054201952416575
Energy: 0.938753164113107
Energy: 0.8010359158097203
Energy: 0.9387531641128467
Energy: 0.7834529478233525
Energy: 0.9383300722233561
Energy: 0.8016727073689451
Energy: 0.938330072223494
Energy: 0.801075889703634
Energy: 0.8725264214940931
Energy: 0.7865151074848472
Energy: 0.8725264214940931
Energy: 0.8290417549829422
Energy: 0.8692339737631578
Energy: 0.8021887108027963
Energy: 0.869233973765455
Energy: 0.8056308748999064
Energy: 0.8293898560132092
Energy: 0.8008045366146141
Energy: 0.829389856013485
Energy: 0.8017923668931956
Energy: 0.9380247302418964
Energy: 0.8017160051378673
Energy: 0.9380247302418964
Energy: 0.8007519940898216
Energy: 0.8023338731973566
Energy: 0.7828396749181776
Energy: 0.8023338731969584
Energy: 0.801373286602146
Energy: 0.8713038527188302
Energy: 0.8012872439380682
Energy: 0.871303852718968
Energy: 0.7863192169638141
Energy: 0.8023937950722443
Energy: 0.8008590118416011
Energy: 0.8023937950712946

minimum gb energy = 0.7828396749181776 eV
minimum distance =  2.57856745620677 Angstroms
sigma value = 13


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

Energy: 0.7680466232175572
Energy: 0.7347792231819701
Energy: 1.05698845392027
Energy: 0.7347792231842296
Energy: 0.9300168025559459
Energy: 0.7541949922475322
Energy: 0.7204591105533604
Energy: 0.7541949922469673
Energy: 0.7353246025350187
Energy: 0.7348269373403997
Energy: 1.1153883224195416
Energy: 0.7348269373341862
Energy: 0.736223149864152
Energy: 0.7541167126969225
Energy: 0.7202372497524505
Energy: 0.7541167126957927
Energy: 0.7357949577695699
Energy: 0.7903733176688301
Energy: 0.7374377845845392
Energy: 0.7903733176710896
Energy: 0.7235399807928682
Energy: 0.7545388475138646
Energy: 0.7483055640361044
Energy: 0.7545388475087808
Energy: 0.7358097435822302
Energy: 0.7909728485172567
Energy: 0.7528529907660377
Energy: 0.7909728485200553
Energy: 0.7139425584780484
Energy: 0.7542428759479705
Energy: 0.7483596728255912
Energy: 0.754242875954184
Energy: 0.7356075032209457
Energy: 0.7910072080842102
Energy: 0.9130734689757728
Energy: 0.7910072080830804
Energy: 0.9402027806191912
Energy: 0.8093797843969943
Energy: 0.7203347993646284
Energy: 0.8093797843969943
Energy: 0.7355330687334676
Energy: 0.8079854359760708
Energy: 0.7241442543814257
Energy: 0.8079854359777396
Energy: 0.7537018181642435
Energy: 0.809434351666077
Energy: 0.7207458473419496
Energy: 0.8094343516626877
Energy: 0.772480267904872
Energy: 0.7500581321743632
Energy: 0.7240780966051555
Energy: 0.7500581321760579
Energy: 1.0894423481022557
Energy: 0.8093297611426624
Energy: 0.7207691991681556
Energy: 0.8093297611460517
Energy: 0.7358524869366186
Energy: 0.7347085032458868
Energy: 0.72371138393402
Energy: 0.7347085032447571
Energy: 0.7339950204103133
Energy: 0.8093581883851328
Energy: 0.7210267581680075
Energy: 0.8093581883834382
Energy: 0.7335303397430936
Energy: 0.7344425675304601
Energy: 0.7214396067033243
Energy: 0.7344425675287656
Energy: 0.7340395145990964
Energy: 0.7907298934026155
Energy: 0.7506939215729157
Energy: 0.7907298934014857
Energy: 0.7336710470503209
Energy: 0.751905887469244
Energy: 0.750052466229351
Energy: 0.7519058874709387
Energy: 0.7336587485486257
Energy: 0.7517774817210835
Energy: 0.7501154941911555
Energy: 0.7517774817244728
Energy: 0.7339353738646869
Energy: 0.790839613626816
Energy: 0.7506795617817111
Energy: 0.7908396136279456
Energy: 0.7333610221429121
Energy: 0.7343471607119484
Energy: 0.721445565250297
Energy: 0.7343471607164673
Energy: 0.734000504931558
Energy: 0.809288632792267
Energy: 0.7211644489985791
Energy: 0.809288632792267
Energy: 0.7358319995600379
Energy: 0.7346732009941301
Energy: 0.7254586473866252
Energy: 0.7346732009941301
Energy: 1.0894329385613577
Energy: 0.8092517527283765
Energy: 0.7208809471724554
Energy: 0.8092517527295062
Energy: 0.7724320184168652
Energy: 0.7502331663498989
Energy: 0.725471160182402
Energy: 0.7502331663515934
Energy: 0.7534761818061857
Energy: 0.8095465872982965
Energy: 0.7207482938136542
Energy: 0.8095465872982965
Energy: 0.735645579951781
Energy: 0.8079804331429834
Energy: 0.7265344514404407
Energy: 0.8079804331458077
Energy: 0.9402636093854788
Energy: 0.809342539119184
Energy: 0.7203261416883726
Energy: 0.8093425391180542
Energy: 0.7357031015552269
Energy: 0.7909240287611474
Energy: 0.9131191910661117
Energy: 0.7909240287622773
Energy: 0.7139234765896971
Energy: 0.7542739521789169
Energy: 0.7483693952472227
Energy: 0.754273952178352
Energy: 0.735745389237848
Energy: 0.7909289793598487
Energy: 1.0017940410991382
Energy: 0.7909289793638028
Energy: 0.7234891766079635
Energy: 0.7545972171006466
Energy: 0.7482389092191916
Energy: 0.7545972170966927
Energy: 0.7356391251139506
Energy: 0.7904129187431519
Energy: 0.7368638214648222
Energy: 0.7904129187431519
Energy: 0.7362026437010759
Energy: 0.7542033328248031
Energy: 0.7202374462859646
Energy: 0.7542033328287572

minimum gb energy = 0.7139234765896971 eV
minimum distance =  2.58747823247549 Angstroms
sigma value = 37


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

Energy: 0.8703226209643586
Energy: 0.7177302733988434
Energy: 0.6493686589342558
Energy: 0.7177302733988434
Energy: 0.8451639509667347
Energy: 0.6991856893064392
Energy: 0.6579007517918785
Energy: 0.6991856893064392
Energy: 0.6899457335413481
Energy: 0.7784927413874457
Energy: 0.6554629425353121
Energy: 0.7784927413874457
Energy: 0.8217431058836543
Energy: 0.6995656485137033
Energy: 0.6690240231586436
Energy: 0.6995656485137033
Energy: 0.6698084918307851
Energy: 0.698893206845476
Energy: 0.6675192554033221
Energy: 0.6988932068464477
Energy: 0.664503406439242
Energy: 0.6992438059159362
Energy: 0.8246279166350381
Energy: 0.6992438059149643
Energy: 0.676458018850994
Energy: 0.7339226804158814
Energy: 0.8411291693332109
Energy: 0.7339226804158814
Energy: 0.6601506149231262
Energy: 0.6998360901359768
Energy: 0.7018098968598271
Energy: 0.6998360901359768
Energy: 0.6613747405373597
Energy: 0.6988737538500314
Energy: 0.6761423458564452
Energy: 0.6988737538500314
Energy: 1.027772489659867
Energy: 0.777980767164794
Energy: 0.8246181770656164
Energy: 0.777980767164794
Energy: 0.6775784143294263
Energy: 0.7515312513583979
Energy: 0.8196005034270436
Energy: 0.7515312513574262
Energy: 1.0531323258763534
Energy: 0.699480589762651
Energy: 0.669075022162516
Energy: 0.6994805897636229
Energy: 0.8243716728939547
Energy: 0.6987880122887821
Energy: 0.8076524788339117
Energy: 0.6987880122887821
Energy: 0.8396351969006839
Energy: 0.7311560798120302
Energy: 0.6581964629678722
Energy: 0.7311560798130021
Energy: 0.8689184081434153
Energy: 0.7317864549377173
Energy: 0.6570566456721622
Energy: 0.7317864549377173
Energy: 0.8639024869196889
Energy: 0.6994023373737301
Energy: 0.6583193263383303
Energy: 0.6994023373727583
Energy: 0.8243306613733264
Energy: 0.7790367697072378
Energy: 0.6495280258194549
Energy: 0.779036769706266
Energy: 0.8209029489893607
Energy: 0.7521275776302034
Energy: 0.6684180821048928
Energy: 0.7521275776302034
Energy: 0.668865106172168
Energy: 0.7010594367545233
Energy: 0.6683160009430599
Energy: 0.7010594367545233
Energy: 0.6693143202016311
Energy: 0.6997776746945784
Energy: 0.8222804188987629
Energy: 0.699777674697494

minimum gb energy = 0.6493686589342558 eV
minimum distance =  2.59208146344663 Angstroms
sigma value = 25


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

Energy: 0.6235285571680074
Energy: 0.5873914334446388
Energy: 0.5634229684404917
Energy: 0.5873914334446388
Energy: 0.8330846640225914
Energy: 0.6034211763678589
Energy: 0.5892976864043198
Energy: 0.6034211763678589
Energy: 0.5866505327726487
Energy: 0.5862483018625141
Energy: 0.561752650514552
Energy: 0.5862483018617554
Energy: 0.5784913136075199
Energy: 0.603359572526284
Energy: 0.5894699814980717
Energy: 0.603359572526284
Energy: 0.5888776062456357
Energy: 0.603159482270024
Energy: 0.5662006285208238
Energy: 0.6031594822692651
Energy: 0.5653735716932985
Energy: 0.6026692140048553
Energy: 0.589334271161336
Energy: 0.6026692140056144
Energy: 0.5870489515820543
Energy: 0.5859661187544225
Energy: 0.5797026851806162
Energy: 0.5859661187544225
Energy: 0.5606167559135105
Energy: 0.6223687255333217
Energy: 0.5872935065138309
Energy: 0.6223687255333217
Energy: 0.5888689954576435
Energy: 0.6031150240633357
Energy: 0.8360367861347333
Energy: 0.6031150240633357
Energy: 0.5651923128703161
Energy: 0.5864606706416352
Energy: 0.6241077397901721
Energy: 0.5864606706431529
Energy: 0.587254187019995
Energy: 0.5858837528878406
Energy: 1.0717244591295736
Energy: 0.5858837528878406
Energy: 0.8683889047862217
Energy: 0.6221289147453298
Energy: 0.5872882581215987
Energy: 0.6221289147468475
Energy: 0.5891248137811922
Energy: 0.6035431435413448
Energy: 0.8207151413589754
Energy: 0.6035431435421035
Energy: 0.8826585469299699
Energy: 0.5859023934454787
Energy: 0.5893058697929049
Energy: 0.5859023934507736
Energy: 0.5872632714372692
Energy: 0.5859795052770534
Energy: 0.5659820766150965
Energy: 0.5859795052770534
Energy: 0.5788426909990962
Energy: 0.6852293861497373
Energy: 0.5871324485148101
Energy: 0.6852293861504963
Energy: 0.5890659210100385
Energy: 0.6220486519856903
Energy: 0.5602046257918997
Energy: 0.6220486519864492
Energy: 0.8453162121508607
Energy: 0.6033969281543331
Energy: 0.5894005746333626
Energy: 0.6033969281543331
Energy: 0.6258618918800007
Energy: 0.5862245192635607
Energy: 0.5655740826351064
Energy: 0.586224519262043
Energy: 1.070499979823347
Energy: 0.6873723812199933
Energy: 0.5873958972772568
Energy: 0.6873723812192346
Energy: 0.588978520620433
Energy: 0.6221941813283206
Energy: 0.5594990684646652
Energy: 0.6221941813283206
Energy: 0.5911027157769655
Energy: 0.6035433084704229
Energy: 0.5895742575298116
Energy: 0.6035433084704229
Energy: 0.587172167390658
Energy: 0.5859692224543458
Energy: 0.8836869854334872
Energy: 0.585969222452828
Energy: 0.5682626117190961
Energy: 0.6874246242752621
Energy: 0.587406065041036
Energy: 0.6874246242767799
Energy: 0.5890454916543046
Energy: 0.6851658510428446
Energy: 0.8764498629342589
Energy: 0.6851658510428446
Energy: 0.5657350829889862
Energy: 0.6224291804580364
Energy: 0.5916675875811842
Energy: 0.6224291804565186

minimum gb energy = 0.5594990684646652 eV
minimum distance =  2.59499511308539 Angstroms
sigma value = 41


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

Energy: 1.0048113296353696
Energy: 0.5336653772762261
Energy: 0.49964052864782
Energy: 0.5336653772774702
Energy: 0.9380174275138073
Energy: 0.5216829956067969
Energy: 0.5137715508023869
Energy: 0.5216829956074192
Energy: 0.5333142465699684
Energy: 0.5124517053072022
Energy: 0.5014557787555453
Energy: 0.5124517053072022
Energy: 0.7231104442121518
Energy: 0.5232573500461151
Energy: 0.5136665067590651
Energy: 0.5232573500467371
Energy: 0.5118078837517666
Energy: 0.547229555939358
Energy: 0.5020820415287038
Energy: 0.5472295559381137
Energy: 0.5074537446687031
Energy: 0.5229343298220512
Energy: 0.513618471516111
Energy: 0.5229343298232956
Energy: 0.5132712191872477
Energy: 0.5220464782473114
Energy: 0.5078301919431045
Energy: 0.5220464782460671
Energy: 0.5021472989117727
Energy: 0.5335820967326665
Energy: 0.5121506998487354
Energy: 0.5335820967345329
Energy: 0.5134319841589718
Energy: 0.5336720503630936
Energy: 0.7243704174645116
Energy: 0.5336720503630936
Energy: 0.49987564851946364
Energy: 0.5133624261331649
Energy: 0.5337710694426522
Energy: 0.5133624261325428
Energy: 0.5133925919058064
Energy: 0.5219891367481323
Energy: 0.9380415117846759
Energy: 0.5219891367493764
Energy: 0.5020168178663031
Energy: 0.5343880926596828
Energy: 0.9460336619552143
Energy: 0.5343880926584385
Energy: 0.5141589521333035
Energy: 0.5337797812431658
Energy: 0.9380238558651905
Energy: 0.5337797812394329
Energy: 0.7584380421130955
Energy: 0.5879385147203322
Energy: 0.5335904622581852
Energy: 0.5879385147203322
Energy: 0.5132788971135356
Energy: 0.5220171347246515
Energy: 0.9280838395934611
Energy: 0.5220171347234073
Energy: 0.7670006525349825
Energy: 0.5344219513659241
Energy: 0.5121594238156606
Energy: 0.5344219513665462
Energy: 0.5142241228590304
Energy: 0.533247108046999
Energy: 0.7151474038726653
Energy: 0.533247108046377
Energy: 0.5100010379666339
Energy: 0.5880902509069735
Energy: 0.5137547984812756
Energy: 0.5880902509063514
Energy: 0.5133347738856441
Energy: 0.5334510445711816
Energy: 0.5010040097782669
Energy: 0.5334510445699374
Energy: 0.7313527661245306
Energy: 0.5336566056504976
Energy: 0.5123423424256385
Energy: 0.5336566056492531
Energy: 0.5349647841161089
Energy: 0.5329818664963227
Energy: 0.49876437678104457
Energy: 0.532981866496945
Energy: 1.1225411787104014
Energy: 0.5478810325546465
Energy: 0.5137204637602862
Energy: 0.5478810325546465
Energy: 0.9430131840074545
Energy: 0.5329345449782993
Energy: 0.5010095994527489
Energy: 0.5329345449789215
Energy: 0.9450219063797114
Energy: 0.5327373629882707
Energy: 0.5125041403661285
Energy: 0.5327373629832934
Energy: 0.5350923377684059
Energy: 0.5866590298576662
Energy: 0.49889435783337266
Energy: 0.5866590298589104
Energy: 0.9275852245041583
Energy: 0.5478153837973757
Energy: 0.5138457853099586
Energy: 0.5478153837967535
Energy: 0.5133346346323706
Energy: 0.5333938471454676
Energy: 0.7668606233951164
Energy: 0.5333938471448455
Energy: 0.5157384989775441
Energy: 0.5329273699138747
Energy: 0.5125342627814801
Energy: 0.5329273699138747
Energy: 0.5142632844908313
Energy: 0.5867476479697395
Energy: 0.7673688537173048
Energy: 0.5867476479697395
Energy: 0.501035446750967
Energy: 0.5618941067664971
Energy: 0.5151734743821726
Energy: 0.5618941067664971
Energy: 0.5131576147861171
Energy: 0.5329651814437022
Energy: 0.7759265945308842
Energy: 0.5329651814418357
Energy: 0.5020363212130804
Energy: 0.5326251816129238
Energy: 0.5370144279635037
Energy: 0.532625181613546

minimum gb energy = 0.49876437678104457 eV
minimum distance =  2.58550863989249 Angstroms
sigma value = 15


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

Energy: 0.8877658950872678
Energy: 0.476149152245126
Energy: 0.45281494859034416
Energy: 0.47614915224670706
Energy: 0.9961890518116254
Energy: 0.4727201256788927
Energy: 0.4733545405930259
Energy: 0.4727201256778387
Energy: 0.49081811111853907
Energy: 0.4721648893429499
Energy: 0.4527797714651779
Energy: 0.472164889343477
Energy: 0.8286420710387035
Energy: 0.472604192739227
Energy: 0.47337628762235545
Energy: 0.4726041927234155
Energy: 0.47185126263297816
Energy: 0.4737022887453869
Energy: 0.7043405111541455
Energy: 0.473702288746441
Energy: 0.6437708120852952
Energy: 0.47303362521356124
Energy: 0.473199182026159
Energy: 0.4730336252151424
Energy: 0.47306611949784855
Energy: 0.48116138610714965
Energy: 0.45869118677724596
Energy: 0.4811613861055686
Energy: 0.45866419672506137
Energy: 0.4814737045717122
Energy: 0.47336383047473685
Energy: 0.4814737045717122
Energy: 0.4739582547362088
Energy: 0.4827975588931531
Energy: 0.6448262831873932
Energy: 0.48279755889157194
Energy: 0.45543974496835865
Energy: 0.47326771537338913
Energy: 0.4721380808326067
Energy: 0.4732677153728621
Energy: 0.4730148196297897
Energy: 0.47267201645533347
Energy: 0.8289356548628567
Energy: 0.47267201645533347
Energy: 0.45404621019352404
Energy: 0.47233235173304605
Energy: 0.4908188364245582
Energy: 0.47233235173410015
Energy: 0.47411062549224464
Energy: 0.482934838535664
Energy: 0.9958441452586977
Energy: 0.4829348385340829
Energy: 0.4555087693943074
Energy: 0.47309624940037376
Energy: 0.8452084923337655
Energy: 0.4730962493682236
Energy: 0.4730415990534773
Energy: 0.47260176061342507
Energy: 1.1582836297724655
Energy: 0.47260176061500625
Energy: 0.6775814673511078
Energy: 0.4724688279877898
Energy: 0.4909212825138507
Energy: 0.4724688279867356
Energy: 0.4740605621913314
Energy: 0.4819679305636347
Energy: 0.9893565703790269
Energy: 0.4819679305636347
Energy: 0.6833824496204465
Energy: 0.472304510648236
Energy: 0.47209103972314903
Energy: 0.47230451065403356
Energy: 0.4730909610975646
Energy: 0.47248959912402466
Energy: 0.8216463221901402
Energy: 0.47248959912033534
Energy: 0.45882599935860857
Energy: 0.4728149291421287
Energy: 0.4732710975392348
Energy: 0.47281492914423695
Energy: 0.4739395049187043
Energy: 0.49099442873057597
Energy: 0.6379194730576453
Energy: 0.4909944287300489
Energy: 0.6469469678458507
Energy: 0.48126331361147984
Energy: 0.4735493712686537
Energy: 0.48126331361095276
Energy: 0.4730693617462497
Energy: 0.47268162355390086
Energy: 0.45402091912889725
Energy: 0.47268162355179266
Energy: 0.8286450468654609
Energy: 0.4730056588873677
Energy: 0.4733359454554633
Energy: 0.4730056588878947
Energy: 0.4917597700986674
Energy: 0.4911989567365181
Energy: 0.45301953123516614
Energy: 0.4911989567375722
Energy: 1.001397327755654
Energy: 0.48133007868093497
Energy: 0.47428458164686477
Energy: 0.48133007868093497
Energy: 0.8448211274090284
Energy: 0.47244504776046775
Energy: 0.45428449404576626
Energy: 0.4724450477594137
Energy: 1.1567018606046837
Energy: 0.4727443488996757
Energy: 0.4733089898492578
Energy: 0.4727443488928479
Energy: 0.4917279155552144
Energy: 0.49042425177494336
Energy: 0.4513020046725799
Energy: 0.49042425177441634
Energy: 0.8328331969078971
Energy: 0.48136019742388697
Energy: 0.4743447370640675
Energy: 0.481360197424941
Energy: 0.4730310124947306
Energy: 0.4718902710254031
Energy: 0.6820740912080524
Energy: 0.471890271105994
Energy: 0.8218537374447892
Energy: 0.4722232602590372
Energy: 0.4733051766397425
Energy: 0.47222326025851025
Energy: 0.47405434628827176
Energy: 0.49050061496917124
Energy: 0.6829127206469164
Energy: 0.49050061496864417
Energy: 0.46086100984102696
Energy: 0.4906172145553398
Energy: 0.47460677389715245
Energy: 0.4906172145553398
Energy: 0.4673726237071008
Energy: 0.4720456540408004
Energy: 0.6914032796329825
Energy: 0.47204565403711096
Energy: 0.45327460870921904
Energy: 0.4725599665953966
Energy: 0.47453321298807566
Energy: 0.4725599665943425
Energy: 0.4741045729437003
Energy: 0.5354479309961874
Energy: 1.0250921862825573
Energy: 0.5354479309951332

minimum gb energy = 0.4513020046725799 eV
minimum distance =  2.58887663445082 Angstroms
sigma value = 85


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

Energy: 0.864991147318623
Energy: 0.4663289702471111
Energy: 0.5279812139700506
Energy: 0.4663289702471111
Energy: 1.113362465794082
Energy: 0.4556903044521573
Energy: 0.4318143984600193
Energy: 0.4556903044526145
Energy: 0.8405576566256459
Energy: 0.46363844503090434
Energy: 0.14920948692138897
Energy: 0.46363844503090434
Energy: 0.9665235107102922
Energy: 0.4557947192051277
Energy: 0.4317570013935563
Energy: 0.4557947192014708
Energy: 0.5453179677836618
Energy: 0.4376444605391531
Energy: 0.2916945384340159
Energy: 0.4376444605396102
Energy: 0.8195224503699768
Energy: 0.4629475633972268
Energy: 0.43151745254571955
Energy: 0.46294756339905524
Energy: 0.5209421439486924
Energy: 0.46990737095416
Energy: 0.49542011265825486
Energy: 0.46990737095416
Energy: 0.6524791729361774
Energy: 0.4555800106548087
Energy: 0.43813360617566516
Energy: 0.45558001032720435
Energy: 0.4375975050737284
Energy: 0.44236978231160395
Energy: 0.6639401329574512
Energy: 0.4423697823111468
Energy: 0.6442094808962884
Energy: 0.463003359386026
Energy: 0.5153688048839796
Energy: 0.4630033593851118
Energy: 0.4324141815530953
Energy: 0.45584148416660175
Energy: 0.8199292396289304
Energy: 0.4558414841661446
Energy: 0.4833135189133251
Energy: 0.4562120697886974
Energy: 0.5400638680329805
Energy: 0.4562120697882402
Energy: 0.4314824216880066
Energy: 0.4424534635744568
Energy: 0.9668836249399418
Energy: 0.4424534635726284
Energy: 0.40065426269116683
Energy: 0.46335879668081026
Energy: 0.8330407917171302
Energy: 0.46335879667989605
Energy: 0.4324283634545571
Energy: 0.4558545583149904
Energy: 1.2438661740877448
Energy: 0.45585455831544747
Energy: 0.4007809245963202
Energy: 0.45793277336564725
Energy: 0.7826512434764764
Energy: 0.457932773376618
Energy: 0.43152360583375415
Energy: 0.44347865773584166
Energy: 1.1701970240972586
Energy: 0.4434786577367559
Energy: 0.595892471147952
Energy: 0.46363865642386753
Energy: 0.8330540274822933
Energy: 0.46363865642478175
Energy: 0.43246142632647155
Energy: 0.45633922951719935
Energy: 1.0965153452596414
Energy: 0.45633922951994194
Energy: 0.6043230521966483
Energy: 0.4558233506612643
Energy: 0.5401659706132211
Energy: 0.4558233506608071
Energy: 0.43188065197593417
Energy: 0.44923185966495355
Energy: 0.9485124316891366
Energy: 0.44923185966495355
Energy: 0.6860522080541693
Energy: 0.45593915883736835
Energy: 0.5152998201186081
Energy: 0.45593915883782543
Energy: 0.439128706532016
Energy: 0.4551595998540246
Energy: 0.798932792417308
Energy: 0.45515959985493887
Energy: 0.6958424153903282
Energy: 0.46931626257832915
Energy: 0.43812957406842107
Energy: 0.4693162625787862
Energy: 0.5155814665150438
Energy: 0.45510700212306465
Energy: 0.6444917397674861
Energy: 0.45510700212306465
Energy: 0.8204342746670589
Energy: 0.45582611431569114
Energy: 0.4312346692161083
Energy: 0.45582611431706244
Energy: 0.5399218249103308
Energy: 0.45519284506400726
Energy: 0.48278782958717215
Energy: 0.45519284508823427
Energy: 0.9631515197583407
Energy: 0.4695089226453425
Energy: 0.43178832407477485
Energy: 0.4695089226453425
Energy: 0.8333024893966288
Energy: 0.46260606120502584
Energy: 0.4798192054622716
Energy: 0.46260606120639725
Energy: 1.2467388115096276
Energy: 0.455202272198789
Energy: 0.43331217547405143
Energy: 0.4552022721992461
Energy: 0.858278255599307
Energy: 0.4626577585774485
Energy: 0.4006800570532711
Energy: 0.4626577585774485
Energy: 1.1106115035156179
Energy: 0.4694526929038594
Energy: 0.43181583074835295
Energy: 0.46945269290477354
Energy: 0.8333485025829549
Energy: 0.462612764167391
Energy: 0.39881596741641373
Energy: 0.46261276416693387
Energy: 1.0964691705428935
Energy: 0.4552063810919945
Energy: 0.43340661917268863
Energy: 0.45520638110479367
Energy: 0.5399145973671082
Energy: 0.4550377339649048
Energy: 0.6053531220509337
Energy: 0.45503773396581915
Energy: 0.8130522691981025
Energy: 0.47683493850950487
Energy: 0.4326189583921915
Energy: 0.4768349385117905
Energy: 0.5157007475618451
Energy: 0.4549670037278766
Energy: 0.6847486522573063
Energy: 0.4549670037274195
Energy: 0.7988174796611577
Energy: 0.4549937825779955
Energy: 0.43923411733915807
Energy: 0.4549937825793668
Energy: 0.4392349019720464
Energy: 0.4550850893369539
Energy: 0.6960619202961909
Energy: 0.4550850893364967
Energy: 0.4943913758866248
Energy: 0.48364722615226946
Energy: 0.5159045284477707
Energy: 0.4836472261508981
Energy: 0.43150967254784073
Energy: 0.4549589251298795
Energy: 0.987125603569521
Energy: 0.45495892513125086
Energy: 0.48251514005341306
Energy: 0.45499354176642093
Energy: 0.540371234724216
Energy: 0.4549935417645925
Energy: 0.4325391329904973
Energy: 0.4551651524368486
Energy: 0.9966031178376329
Energy: 0.4551651524304491

minimum gb energy = 0.14920948692138897 eV
minimum distance =  2.60394782668889 Angstroms
sigma value = 113


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

Energy: 0.009372548294725605
Energy: 0.009881131576452519
Energy: 0.5323579734125279
Energy: 0.009881131576452519
Energy: 0.5318988531869512
Energy: 0.18788568808878528
Energy: 0.18722108049469943
Energy: 0.1878856880884339
Energy: 0.009372548294725605
Energy: 0.009881131576120637
Energy: 0.5323579625181868
Energy: 0.009881131576452519
Energy: 0.5318988531869512
Energy: 0.18788568808911715
Energy: 0.1872210804950313
Energy: 0.1878856880884339
Energy: 0.009372548294725605
Energy: 0.009881131576452519
Energy: 0.5323579236665297
Energy: 0.009881131576803924
Energy: 0.5318988531869512
Energy: 0.18788568808911715
Energy: 0.1872210804939966
Energy: 0.187885688088102

minimum gb energy = 0.009372548294725605 eV
minimum distance =  2.85440527362475 Angstroms
sigma value = 1