Model name: model_name=EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005
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=4.031036108732224
cohesive_energy=3.3595443185119036
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0036820984803998e-19, 2.67246266904468e-19, 3.03293638992834e-19, 3.3941631338299793e-19, 3.6868487613290992e-19, 3.9371087515599e-19, 4.1533545318508797e-19, 4.339687674385079e-19, 4.49830316115108e-19, 4.63222910598714e-19, 4.7523763317707995e-19, 4.86374362960014e-19, 4.96136425190976e-19, 5.04208191073068e-19, 5.108540197508999e-19, 5.16548155508136e-19, 5.21719981682688e-19, 5.26345465625046e-19, 5.3024836790547e-19, 5.333277513960179e-19, 5.3558361609669e-19, 5.37096070839186e-19, 5.3794682663184e-19, 5.38215992306352e-19, 5.37934009218768e-19, 5.3704159683363e-19, 5.354201940800219e-19, 5.32877539761864e-19, 5.292005443868339e-19, 5.2416009669627e-19, 5.174886331922939e-19, 5.08916988200394e-19, 4.98192017812398e-19, 4.845815273065679e-19, 4.6714664117538e-19, 4.4472417918255e-19, 4.1573599734358797e-19, 3.78124900860438e-19, 3.298881689406e-19, 2.6872828029091797e-19, 1.91737284320682e-19, 9.4871287205676e-20, -2.5998520239918e-20, -1.75603365616302e-19, -3.6055062536209193e-19, -5.91677422229664e-19, -8.85087233567352e-19, -1.250766426334878e-18, -1.6569230095837798e-18, -2.11355937204012e-18, -2.66483630826684e-18, -3.36250412354214e-18]
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: 0.01041992668568004
Energy: 0.22150798573362596
Energy: 0.01109273627429625
Energy: 0.011744697398105351
Energy: 0.22146294922999685
Energy: 0.01082882862115408
Energy: 0.22150798573289732
Energy: 0.051287070226706616
Energy: 0.05138490480549531
Energy: 0.05153689300776613
Energy: 0.05130797879845727
Energy: 0.05145179340473199
Energy: 0.01109273627429625
Energy: 0.05138490480549531
Energy: 0.05146627145828165
Energy: 0.011175662806387805
Energy: 0.05129427450898181
Energy: 0.0514628913376208
Energy: 0.011744697398329541
Energy: 0.05153689300776613
Energy: 0.011175662806387805
Energy: 0.010587835555310085
Energy: 0.051311457952451484
Energy: 0.010759987660705074
Energy: 0.22146294922999685
Energy: 0.05130797879845727
Energy: 0.0512942745087296
Energy: 0.051311457952451484
Energy: 0.051306144101828544
Energy: 0.05134947174859219
Energy: 0.010828828621406291
Energy: 0.05145179340473199
Energy: 0.0514628913376208
Energy: 0.010759987660705074
Energy: 0.051349471749096626
Energy: 0.010840669510971339

minimum gb energy = 0.01041992668568004 eV
minimum distance =  2.84273072043108 Angstroms
sigma value = 1


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

Energy: 0.6220968111355081
Energy: 0.4860931748968435
Energy: 0.39979566629957947
Energy: 0.4142876631369772
Energy: 0.6639615524791724
Energy: 0.3988780041480254
Energy: 0.571842401952445
Energy: 0.45242171292415706
Energy: 0.4338373962632052
Energy: 0.4054263091362142
Energy: 0.4571902658623026
Energy: 0.4335643445740516
Energy: 0.6489780112205091
Energy: 0.4073605895268457
Energy: 0.39335870942139156
Energy: 0.3848993098046418
Energy: 0.43157184872532645
Energy: 0.392779174348191
Energy: 0.6513068080566559
Energy: 0.3925124797659856
Energy: 0.40685688865870584
Energy: 0.38611923107830465
Energy: 0.39252632279844807
Energy: 0.3851104124210209
Energy: 0.672704846429528
Energy: 0.43273547468694484
Energy: 0.4331922345432374
Energy: 0.4041479313296059
Energy: 0.43238885043409736
Energy: 0.4261330385072071
Energy: 0.572488136233099
Energy: 0.4167265703257595
Energy: 0.4158404585567483
Energy: 0.4138304942493713
Energy: 0.4288493967976821
Energy: 0.4167331947637742
Energy: 0.5713103644670982
Energy: 0.4311887515719448
Energy: 0.4069549605541476
Energy: 0.4149227211913014
Energy: 0.42512917389093624
Energy: 0.4127773658866463
Energy: 0.5564309639290679
Energy: 0.4268585405314919
Energy: 0.4449382375252097
Energy: 0.42593500102286214
Energy: 0.4263630476827584
Energy: 0.40673773673114605
Energy: 0.4696478441286799
Energy: 0.41377409533595283
Energy: 0.4134801988277285
Energy: 0.4280644168988697
Energy: 0.4140463056629009
Energy: 0.41553994007913714
Energy: 0.4696881323084908
Energy: 0.42739506029630364
Energy: 0.4274721905395509
Energy: 0.43234977242561345
Energy: 0.4160322940679868
Energy: 0.4280342274309443
Energy: 0.5256672996137552
Energy: 0.40027151902806174
Energy: 0.4000436263440477
Energy: 0.5283523804223994
Energy: 0.40022095085975595
Energy: 0.4059877252190677
Energy: 0.45312530713576593
Energy: 0.38494792187554644
Energy: 0.3926276737551712
Energy: 0.45384398126373393
Energy: 0.3889646996086606
Energy: 0.3930384114651618
Energy: 0.45100265031423675
Energy: 0.41532352877632606
Energy: 0.4175745187508102
Energy: 0.45105335194538315
Energy: 0.3983257308363132
Energy: 0.43296553501894075
Energy: 0.4535433691606477
Energy: 0.3848412404907444
Energy: 0.40822841949928995
Energy: 0.43537379862691306
Energy: 0.38485531454571886
Energy: 0.4314569142743175
Energy: 0.4537871357270405
Energy: 0.4305243991877577
Energy: 0.4224761768016977
Energy: 0.4362070854861146
Energy: 0.4213678418951704
Energy: 0.43852286990786044
Energy: 0.45944134830805905
Energy: 0.38493556201584844
Energy: 0.384981030274574
Energy: 0.44326240557016355
Energy: 0.3850853371494012
Energy: 0.3851899494043846
Energy: 0.5387914964270981
Energy: 0.4133317508824518
Energy: 0.407443902146562
Energy: 0.4148186159611117
Energy: 0.4122224650653239
Energy: 0.38477227515000173
Energy: 0.5093890411941545
Energy: 0.40724985963955673
Energy: 0.4372700361585222
Energy: 0.43420588989641357
Energy: 0.42485484598478207
Energy: 0.4370012999937916
Energy: 0.5108751397823664
Energy: 0.43547169976128425
Energy: 0.4331575754833291
Energy: 0.43501348283616714
Energy: 0.43368648042841423
Energy: 0.4294790566151178
Energy: 0.6592013102807499
Energy: 0.436609239379663
Energy: 0.43487985114256017
Energy: 0.42545164326059465
Energy: 0.4280477954278406
Energy: 0.42860519777168915
Energy: 0.6101183530258555
Energy: 0.4081556265664042
Energy: 0.3990645834803215
Energy: 0.3983501973637295
Energy: 0.4406173761325995
Energy: 0.39954170394762306
Energy: 0.6093641654195261
Energy: 0.40341818544696617
Energy: 0.3851907137085118
Energy: 0.3980769269976867
Energy: 0.41211657966745174
Energy: 0.3849632027023242
Energy: 0.6203465154164616
Energy: 0.435864615852752
Energy: 0.43671155287469937
Energy: 0.39199885023924846
Energy: 0.4356533103264586
Energy: 0.4372545623242962

minimum gb energy = 0.38477227515000173 eV
minimum distance =  2.62723476139211 Angstroms
sigma value = 33


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

Energy: 0.7396889369327235
Energy: 0.4401453129758029
Energy: 0.396964923492836
Energy: 0.39026968736281226
Energy: 0.6425287521206083
Energy: 0.389464990538525
Energy: 0.6260547294735943
Energy: 0.4545179308720191
Energy: 0.39815832944326357
Energy: 0.37334262360548437
Energy: 0.45493152724974645
Energy: 0.3983036323998563
Energy: 0.5963674193863282
Energy: 0.4544714436842346
Energy: 0.4244218756945619
Energy: 0.393440925226613
Energy: 0.45407357736156
Energy: 0.4160052469419618
Energy: 0.5957218182226609
Energy: 0.4248062152078686
Energy: 0.42475280291125284
Energy: 0.3952347579528555
Energy: 0.42461017770952914
Energy: 0.37453550689047094
Energy: 0.6631491912567145
Energy: 0.44896061314349284
Energy: 0.45118076369135923
Energy: 0.39534424834341947
Energy: 0.45808962766527345
Energy: 0.45181504029486624
Energy: 0.5923086912888628
Energy: 0.40446406265047236
Energy: 0.4018432006767493
Energy: 0.4098170642079405
Energy: 0.4504686142299263
Energy: 0.4012249142300012
Energy: 0.591314522767385
Energy: 0.4001469157644299
Energy: 0.4053472482827208
Energy: 0.4139871069838286
Energy: 0.4350602969479572
Energy: 0.41573355850614374
Energy: 0.5396851181854116
Energy: 0.4421128131602291
Energy: 0.4395406528080375
Energy: 0.44491698908154714
Energy: 0.43917462342811286
Energy: 0.43821536382131415
Energy: 0.4771021352246385
Energy: 0.44019718723244056
Energy: 0.4313445367820918
Energy: 0.4470331489020149
Energy: 0.4387014119877842
Energy: 0.42791215421161904
Energy: 0.4747307803440871
Energy: 0.4249956296803964
Energy: 0.4280240516180112
Energy: 0.44105928572431413
Energy: 0.4031555504905916
Energy: 0.42726008909123625
Energy: 0.5045081363688163
Energy: 0.34480733438609074
Energy: 0.34460251095618466
Energy: 0.4370146337897071
Energy: 0.34407486771488915
Energy: 0.3686807536667369
Energy: 0.4580490812160895
Energy: 0.34504577777637535
Energy: 0.3813349515281742
Energy: 0.45276981159705404
Energy: 0.3446872778745283
Energy: 0.3948066631253341
Energy: 0.4512259828663071
Energy: 0.3809645663968445
Energy: 0.4338065729133845
Energy: 0.45601048422401436
Energy: 0.4037982329580649
Energy: 0.433667358639683
Energy: 0.5476308956620739
Energy: 0.37451027147255106
Energy: 0.37445480899511857
Energy: 0.4304373563631448
Energy: 0.3722492305928075
Energy: 0.39445827332402894
Energy: 0.48518553119265934
Energy: 0.3895110707783775
Energy: 0.4574348403528954
Energy: 0.45899453979161275
Energy: 0.37758433075206155
Energy: 0.4576595227606012
Energy: 0.485774948329978
Energy: 0.4006247684734662
Energy: 0.4023903084309366
Energy: 0.45711581133687257
Energy: 0.40189615144883384
Energy: 0.40349561541971085
Energy: 0.5674258420159725
Energy: 0.4101843940066121
Energy: 0.4024288012462292
Energy: 0.44159482607064393
Energy: 0.4102394750171946
Energy: 0.40328249124936655
Energy: 0.5117655743426122
Energy: 0.4069636421452772
Energy: 0.4367445653460855
Energy: 0.43840492489231414
Energy: 0.40633513660451676
Energy: 0.43831948191362663
Energy: 0.5135326162800661
Energy: 0.44608630054947473
Energy: 0.430137820078661
Energy: 0.4385786060841569
Energy: 0.44605240069773594
Energy: 0.4323859812658998
Energy: 0.6633034444736184
Energy: 0.4443067786037323
Energy: 0.44606288997481885
Energy: 0.40174089191374374
Energy: 0.4439132398380194
Energy: 0.4334184789483103
Energy: 0.6561807299015925
Energy: 0.3878745826181179
Energy: 0.3450830280492399
Energy: 0.3444721032997234
Energy: 0.3874146227259212
Energy: 0.34442211768505504
Energy: 0.6526877149818955
Energy: 0.38886901967691884
Energy: 0.38840331580604776
Energy: 0.3445046308293069
Energy: 0.44579941174104304
Energy: 0.3880128017609422
Energy: 0.6494787606392158
Energy: 0.44559189822236045
Energy: 0.44602093943647986
Energy: 0.3786031541092024
Energy: 0.44584909265391776
Energy: 0.43311373808900333
Energy: 0.6074219978659888
Energy: 0.5136658281461326
Energy: 0.47142493851474787
Energy: 0.37486911191376654
Energy: 0.48984636905157924
Energy: 0.3856166228560305
Energy: 0.6478398809244703
Energy: 0.4560718955488002
Energy: 0.456289516153165
Energy: 0.3795262803768388
Energy: 0.45459575926826945
Energy: 0.44958367865767607
Energy: 0.596268493368109
Energy: 0.39922354826759454
Energy: 0.39554381508920594
Energy: 0.4134093970367569
Energy: 0.45523258551614754
Energy: 0.3951176568910474
Energy: 0.5960881035058527
Energy: 0.4041108630636044
Energy: 0.4039799140786178
Energy: 0.41060407447923575
Energy: 0.39785889906898547
Energy: 0.4102697258692845
Energy: 0.6285055491364014
Energy: 0.44109742278887853
Energy: 0.43871020658790394
Energy: 0.42247777807746956
Energy: 0.4386027212032632
Energy: 0.4376291435284527
Energy: 0.47453224972741903
Energy: 0.4406832589802131
Energy: 0.4387238087461266
Energy: 0.4482252679632372
Energy: 0.43921754068812613
Energy: 0.4309271384199309
Energy: 0.47682495251395235
Energy: 0.4026050762179138
Energy: 0.4209830906832104
Energy: 0.44723394557149315
Energy: 0.40970256453297255
Energy: 0.4480917183706164
Energy: 0.47588402131211777
Energy: 0.34414893845100586
Energy: 0.34415292507402023
Energy: 0.39388706109290444
Energy: 0.34425900291539535
Energy: 0.34424726548931167
Energy: 0.45724455763669675
Energy: 0.3443022704679276
Energy: 0.3443689058958753
Energy: 0.44202821530475944
Energy: 0.34424376449403965
Energy: 0.381405629948151
Energy: 0.45111170039910553
Energy: 0.37210256852637474
Energy: 0.4290625199780067
Energy: 0.43975443724414665
Energy: 0.4189406411894077
Energy: 0.44081913459794897
Energy: 0.45095200856112083
Energy: 0.37435681182287023
Energy: 0.3854162599777407
Energy: 0.4463843968951107
Energy: 0.3743558816332785
Energy: 0.3856722423298352
Energy: 0.48243359524868906
Energy: 0.37266282371372944
Energy: 0.43790195461815695
Energy: 0.4588220051901393
Energy: 0.39640498501752025
Energy: 0.44010708201429205
Energy: 0.48170212779451094
Energy: 0.39363007320374493
Energy: 0.3941904886423939
Energy: 0.4584916458268737
Energy: 0.40084673189060493
Energy: 0.40320894790519174
Energy: 0.4824221227204422
Energy: 0.4051132167443513
Energy: 0.4038955521097582
Energy: 0.39515598908639754
Energy: 0.4009376991725838
Energy: 0.40366615871215905
Energy: 0.5139930073895067
Energy: 0.4226424900084103
Energy: 0.42453924817607436
Energy: 0.43895932414722555
Energy: 0.45391407533456357
Energy: 0.41733778033856866
Energy: 0.5109357950103172
Energy: 0.45422770870349777
Energy: 0.4248170202936251
Energy: 0.43842427195251094
Energy: 0.45640569106547396
Energy: 0.4387280047954267
Energy: 0.5998775551607536
Energy: 0.4542194976937762
Energy: 0.44350999206339253
Energy: 0.44682738531024335
Energy: 0.4544515403662503
Energy: 0.4354625277396886
Energy: 0.6833693422197058
Energy: 0.4097502014069484
Energy: 0.3641125833507603
Energy: 0.35688959309843404
Energy: 0.41030477050130276
Energy: 0.3570259669946696

minimum gb energy = 0.34407486771488915 eV
minimum distance =  2.67663212855456 Angstroms
sigma value = 51


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

Energy: 0.6428328977752586
Energy: 0.41713125397611106
Energy: 0.4462390681120529
Energy: 0.3958413259307787
Energy: 0.420852506164612
Energy: 0.37926990560524476
Energy: 0.6083814068709592
Energy: 0.4509920359352266
Energy: 0.44934900996839183
Energy: 0.48083537580629415
Energy: 0.4510962891205221
Energy: 0.4175603338495781
Energy: 0.5773903480136466
Energy: 0.4484008880612925
Energy: 0.3871652261463061
Energy: 0.3489989917670286
Energy: 0.4484351062598391
Energy: 0.3736546874533031
Energy: 0.5771669830728373
Energy: 0.37664048931897826
Energy: 0.37683435321834635
Energy: 0.3856754708807726
Energy: 0.39669396105605137
Energy: 0.3679469582429778
Energy: 0.6080714130241105
Energy: 0.4388359864168197
Energy: 0.4384544757224251
Energy: 0.3922052833771325
Energy: 0.4383637500552395
Energy: 0.43817215774683327
Energy: 0.4941532064100292
Energy: 0.4386518973987133
Energy: 0.4191166866904204
Energy: 0.43718941590100735
Energy: 0.43867666714898346
Energy: 0.41077475043426914
Energy: 0.49515885613682775
Energy: 0.42023041440751285
Energy: 0.43749609339253515
Energy: 0.4371421145553772
Energy: 0.3916897828510283
Energy: 0.4380864718053406
Energy: 0.5150727596009635
Energy: 0.35118606485526577
Energy: 0.35123578218898455
Energy: 0.39657531921248845
Energy: 0.3514369151932362
Energy: 0.35123170604385745
Energy: 0.44814001479770676
Energy: 0.3513392565135738
Energy: 0.35118916723175203
Energy: 0.4487196748736735
Energy: 0.35142361565126257
Energy: 0.3767310604346029
Energy: 0.4475437864153658
Energy: 0.3689028483169446
Energy: 0.4169547201882701
Energy: 0.44763215764111525
Energy: 0.36356304587851374
Energy: 0.44790797819555467
Energy: 0.4509252574814348
Energy: 0.37578623822734364
Energy: 0.3757956304921506
Energy: 0.4523107399598824
Energy: 0.37615526718925335
Energy: 0.468514775137761
Energy: 0.45241337295500567
Energy: 0.378680444984057
Energy: 0.41698933328270327
Energy: 0.4437197337225657
Energy: 0.3798319646414762
Energy: 0.41913238960835103
Energy: 0.45127369862000927
Energy: 0.3808659657399229
Energy: 0.3814990022672784
Energy: 0.4430210266071502
Energy: 0.3811305797832006
Energy: 0.39913614774202544
Energy: 0.45181813020404443
Energy: 0.36910347197181465
Energy: 0.3695602770181458
Energy: 0.4453360524587604
Energy: 0.36899685276143657
Energy: 0.35060251260660275
Energy: 0.5234360960529275
Energy: 0.4091518003702023
Energy: 0.3931448832087752
Energy: 0.3832857134544481
Energy: 0.4219627176344084
Energy: 0.3493526983984958
Energy: 0.5239793638924756
Energy: 0.39173479059326954
Energy: 0.3916661766676939
Energy: 0.38187788758102753
Energy: 0.40904085608344126
Energy: 0.3827145353511079
Energy: 0.5940632587655482
Energy: 0.44386310875246754
Energy: 0.44346685714200257
Energy: 0.4179348655408659
Energy: 0.4446649686092005
Energy: 0.4433689831014996
Energy: 0.628533471858683
Energy: 0.42385769316437155
Energy: 0.39823841840176344
Energy: 0.351176545014781
Energy: 0.4240948749029194
Energy: 0.39816252738816504

minimum gb energy = 0.3489989917670286 eV
minimum distance =  2.66504467939258 Angstroms
sigma value = 19


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

Energy: 0.5321960333812278
Energy: 0.3836135829580621
Energy: 0.3651544052032225
Energy: 0.3662424480775687
Energy: 0.3987207377346308
Energy: 0.3651804489760925
Energy: 0.5683399698578545
Energy: 0.39830940117921654
Energy: 0.39826799524659334
Energy: 0.35722845809238635
Energy: 0.39833688568481235
Energy: 0.38319908574459544
Energy: 0.5687017664431421
Energy: 0.3984565516002609
Energy: 0.39840463857712943
Energy: 0.35789099283385906
Energy: 0.39846301240289295
Energy: 0.3984168859206121
Energy: 0.4608973898882285
Energy: 0.3987035326964931
Energy: 0.3987878117332304
Energy: 0.39406760304529953
Energy: 0.3988224946348341
Energy: 0.3987635236049353
Energy: 0.5688913481023755
Energy: 0.3974085326838463
Energy: 0.41412815263207375
Energy: 0.39644662769945777
Energy: 0.39659854022864327
Energy: 0.4142471829974364
Energy: 0.4611265009262152
Energy: 0.38782349179179015
Energy: 0.3956764093781508
Energy: 0.3966341541217716
Energy: 0.3874387172273437
Energy: 0.3957848890560444
Energy: 0.4614492625435954
Energy: 0.3961831465019039
Energy: 0.39594643919087946
Energy: 0.39664647817752013
Energy: 0.3687841097425417
Energy: 0.3965596706323627
Energy: 0.4552785675298968
Energy: 0.34152008621350016
Energy: 0.34182117460278594
Energy: 0.3831436263648666
Energy: 0.34150830754895234
Energy: 0.34167306400525776
Energy: 0.39815691329632336
Energy: 0.3423177787366363
Energy: 0.3417907866982772
Energy: 0.3981816364070991
Energy: 0.34162895987990743
Energy: 0.34174792263037745
Energy: 0.39928551804053863
Energy: 0.3569770023762559
Energy: 0.3986876315706915
Energy: 0.3994644383270198
Energy: 0.3576497730352114
Energy: 0.39837214630115725
Energy: 0.3983248895060061
Energy: 0.39402828181922944
Energy: 0.39400587619468647
Energy: 0.3983636859033431
Energy: 0.39409950475480215
Energy: 0.38323220530627033
Energy: 0.4607614329382668
Energy: 0.3959911645093463
Energy: 0.3963970942811372
Energy: 0.39705480549700606
Energy: 0.3571448247183235
Energy: 0.3833376583414351
Energy: 0.387914618113336
Energy: 0.3960924269745421
Energy: 0.36818302408081427
Energy: 0.38929686575806544
Energy: 0.39618247983559834
Energy: 0.3684007589475786
Energy: 0.4606099361882229
Energy: 0.3970189035017595
Energy: 0.39693998301687955
Energy: 0.369031183067417
Energy: 0.3964843827923978
Energy: 0.3966428572092637
Energy: 0.5287394216730466
Energy: 0.38333055619834405
Energy: 0.3831693616557859
Energy: 0.34180731063347153
Energy: 0.39719875047228403
Energy: 0.341967560324702
Energy: 0.528849665290251
Energy: 0.3990249988039865
Energy: 0.34180020949084006
Energy: 0.3419548886398175
Energy: 0.3983708632387893
Energy: 0.34172129712041255
Energy: 0.5681839769572364
Energy: 0.39840685121021685
Energy: 0.39846780579282487
Energy: 0.3576084965575974
Energy: 0.39966857081669743
Energy: 0.39854866669836847
Energy: 0.46172063374309186
Energy: 0.3984127008549826
Energy: 0.39855573526695615
Energy: 0.3940953318117624
Energy: 0.3985539653769001
Energy: 0.3986142251096737
Energy: 0.46007843600192994
Energy: 0.39856062957543764
Energy: 0.3985451279054702
Energy: 0.39397303259502287
Energy: 0.39842091380498196
Energy: 0.3985742554894046
Energy: 0.4604302081820343
Energy: 0.38746887592244755
Energy: 0.39635322744454526
Energy: 0.39621340005662464
Energy: 0.3873491119272122
Energy: 0.3958732626128985
Energy: 0.46007358847123025
Energy: 0.36832417225940295
Energy: 0.39674979451435854
Energy: 0.3964380167983908
Energy: 0.39679443872674397
Energy: 0.3967059549713318
Energy: 0.46027972584129306
Energy: 0.35685958196063816
Energy: 0.39696873896321666
Energy: 0.39619717278395344
Energy: 0.3571607377143349
Energy: 0.3966414190501066
Energy: 0.4556784133853117
Energy: 0.3423143965120934
Energy: 0.34209313230845156
Energy: 0.4558815391508189
Energy: 0.3419343841876841
Energy: 0.36520257243692283
Energy: 0.39836358033342045
Energy: 0.3572010590093492
Energy: 0.38317188808115926
Energy: 0.3983743657735512
Energy: 0.3422382621610356
Energy: 0.39845745983668157
Energy: 0.3983761617977645
Energy: 0.3571668411869806
Energy: 0.3985491022434888
Energy: 0.39848767469392316
Energy: 0.35732549762420607
Energy: 0.3983853218130635
Energy: 0.4557224313343072
Energy: 0.394500577934072
Energy: 0.3950880511630762
Energy: 0.3983225819397817
Energy: 0.39398945920802364
Energy: 0.398826490451344
Energy: 0.4606589712839042
Energy: 0.396699865789686
Energy: 0.39640713886882667
Energy: 0.39670890708209156
Energy: 0.39670503182196776
Energy: 0.41445723320549605
Energy: 0.38744863272147595
Energy: 0.39782916335951807
Energy: 0.3962348067981873
Energy: 0.38741979067987603
Energy: 0.3964337389206175
Energy: 0.39551570451958223
Energy: 0.4609218276896126
Energy: 0.39826173551252997
Energy: 0.39668116882403437
Energy: 0.3692952916844679
Energy: 0.396344075981087
Energy: 0.3960589816241707
Energy: 0.5292278827773386
Energy: 0.38325344986841764
Energy: 0.3416708498901631
Energy: 0.34177010703238647
Energy: 0.38308201402549197
Energy: 0.3415840764707801

minimum gb energy = 0.34150830754895234 eV
minimum distance =  2.7111351400852 Angstroms
sigma value = 27


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

Energy: 0.4597826857955258
Energy: 0.4144633750794753
Energy: 0.5355766976733715
Energy: 0.31020731076428754
Energy: 0.4153001907598962
Energy: 0.5361840943806027
Energy: 0.591967997580923
Energy: 0.38369525225608936
Energy: 0.3837081677247012
Energy: 0.33894986925373094
Energy: 0.3836829262473904
Energy: 0.3705312035452022
Energy: 0.5860247813068719
Energy: 0.3859882603103734
Energy: 0.38394426512957713
Energy: 0.3390722367865732
Energy: 0.3862109781878861
Energy: 0.384163594402095
Energy: 0.5874705010497259
Energy: 0.38437068530857066
Energy: 0.35743762078648167
Energy: 0.33859868374063257
Energy: 0.3839717553171392
Energy: 0.35814527338749613
Energy: 0.45789348686129666
Energy: 0.2976779240957559
Energy: 0.3401921760786332
Energy: 0.35750387829962427
Energy: 0.2972937520485689
Energy: 0.33996307811673804
Energy: 0.3845747515345395
Energy: 0.2975845207953596
Energy: 0.29751021664304955
Energy: 0.38453925039217446
Energy: 0.29782793189967743
Energy: 0.29748589041048334
Energy: 0.38576499182026863
Energy: 0.3410626598090234
Energy: 0.3398842349821743
Energy: 0.3860517011552875
Energy: 0.33895851201929234
Energy: 0.3836792963116887
Energy: 0.38422669877864957
Energy: 0.338641261650195
Energy: 0.3568864966185898
Energy: 0.3844039849975429
Energy: 0.34039893915192393
Energy: 0.35753070736838755
Energy: 0.4108105199374648
Energy: 0.33933159483923053
Energy: 0.3387187285986952
Energy: 0.38411190807304224
Energy: 0.33783053114774325
Energy: 0.36924229874390235
Energy: 0.4129519172661843
Energy: 0.3498270194765025
Energy: 0.31539249725880836
Energy: 0.35036645795961535
Energy: 0.3513669515215032
Energy: 0.3497113073233345
Energy: 0.4110429111075635
Energy: 0.3507949340752233
Energy: 0.3506186764834884
Energy: 0.3504696880989513
Energy: 0.3505100321962028
Energy: 0.35122334376890957
Energy: 0.591896614429533
Energy: 0.34976376118877106
Energy: 0.35011741668182295
Energy: 0.33907186495460223
Energy: 0.3503724324787595
Energy: 0.36931818744059186

minimum gb energy = 0.2972937520485689 eV
minimum distance =  2.67356709721309 Angstroms
sigma value = 9


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

Energy: 0.791283252163479
Energy: 0.32552559057142005
Energy: 0.3983503552749436
Energy: 0.37246643012595076
Energy: 0.32567135534309377
Energy: 0.39816547438433103
Energy: 0.4655832801144484
Energy: 0.32501265460436635
Energy: 0.32423726364290745
Energy: 0.3445903884364872
Energy: 0.3248564684599617
Energy: 0.3089229622860259
Energy: 0.46248105296929215
Energy: 0.32753438327065426
Energy: 0.3251623256985473
Energy: 0.3416805436619568
Energy: 0.32592632431066954
Energy: 0.31575856981845296
Energy: 0.4612482444303671
Energy: 0.3216181160286194
Energy: 0.2999309062870066
Energy: 0.3407390235629778
Energy: 0.3418989021087085
Energy: 0.307239100265533
Energy: 0.5200683468011174
Energy: 0.32740861350492906
Energy: 0.32678556485870824
Energy: 0.32919686853472657
Energy: 0.3424511427754504
Energy: 0.3173225524083246
Energy: 0.3289068802499475
Energy: 0.3418148424301851
Energy: 0.3228902588221595
Energy: 0.3288421257565996
Energy: 0.3391933121791879
Energy: 0.3268729801924216
Energy: 0.3300508535209507
Energy: 0.31693604132468123
Energy: 0.3183315065980529
Energy: 0.33027501352678923
Energy: 0.31895821049664025
Energy: 0.32887250759922454
Energy: 0.3294566464151081
Energy: 0.3416900901831512
Energy: 0.3324364504657398
Energy: 0.3294165435650367
Energy: 0.3404982211287504
Energy: 0.3290019346094229
Energy: 0.536189954377507
Energy: 0.3329472037525923
Energy: 0.3193203184487015
Energy: 0.33576450389726165
Energy: 0.3389733417214775
Energy: 0.3170808241105733
Energy: 0.5412218665398043
Energy: 0.32759794335042297
Energy: 0.3467435960700342
Energy: 0.3377362166608032
Energy: 0.35300701489503716
Energy: 0.310260283233441
Energy: 0.539279260370072
Energy: 0.3295295035998725
Energy: 0.3289954439544433
Energy: 0.3390345867441844
Energy: 0.32924174356362773
Energy: 0.3171651978934691
Energy: 0.5642651647016195
Energy: 0.3297746729418994
Energy: 0.3290718345628182
Energy: 0.3354129190553807
Energy: 0.32983245726996235
Energy: 0.33575595167067807
Energy: 0.6838274232035548
Energy: 0.329788842405087
Energy: 0.3942962145307927
Energy: 0.3432132797594408
Energy: 0.32993336533809076
Energy: 0.3952360889339604
Energy: 0.5473195271223776
Energy: 0.34503237799729775
Energy: 0.33410772151772866
Energy: 0.3354226127571641
Energy: 0.34025600838289094
Energy: 0.34256952332423735
Energy: 0.3244002639391058
Energy: 0.34339430849223235
Energy: 0.34387494813103864
Energy: 0.3247242008447961
Energy: 0.3443868050372449
Energy: 0.3161226448461067
Energy: 0.3255038202905268
Energy: 0.3050596981263834
Energy: 0.31419392653441697
Energy: 0.3257915628950517
Energy: 0.3386825711276104
Energy: 0.3245679352144578
Energy: 0.3247594291060007
Energy: 0.32631720852094975
Energy: 0.31662856952268914
Energy: 0.3248639571262152
Energy: 0.33459709558191675
Energy: 0.33077579196674545
Energy: 0.4184203327443473
Energy: 0.33550104170323347
Energy: 0.3443398152482707
Energy: 0.32487651846439725
Energy: 0.33619850102598353
Energy: 0.33020435240520585
Energy: 0.3469117033416458
Energy: 0.3283516441581819
Energy: 0.30782103850518727
Energy: 0.3342701101659827
Energy: 0.3295336957439218
Energy: 0.32903225928123625
Energy: 0.3474052418885059
Energy: 0.3329125645149681
Energy: 0.2901181309225043
Energy: 0.33164539791717595
Energy: 0.33220073472114764
Energy: 0.28823323246285676
Energy: 0.34576159499383896
Energy: 0.3331724522364557
Energy: 0.3156766463219638
Energy: 0.30519887934951734
Energy: 0.33355205387041503
Energy: 0.3113164159873346
Energy: 0.6417651091262083
Energy: 0.3233598636529593
Energy: 0.3312513261438615
Energy: 0.33981364653168983
Energy: 0.3251220120205759
Energy: 0.34135510643622297
Energy: 0.6450360953906679
Energy: 0.3245924666535521
Energy: 0.3139464636436125
Energy: 0.3422302389074264
Energy: 0.3246234188486352
Energy: 0.32555458788764186
Energy: 0.4599421686604827
Energy: 0.3251794785501716
Energy: 0.3248050691948039
Energy: 0.34170319913634967
Energy: 0.3266163916249306
Energy: 0.33667158781719375
Energy: 0.47583640483924344
Energy: 0.3290300750795616
Energy: 0.33083626867915544
Energy: 0.33233001904779974
Energy: 0.3249036444129131
Energy: 0.33092064058373516
Energy: 0.46008944572414134
Energy: 0.32594284902523224
Energy: 0.3167056386511767
Energy: 0.3317082221442727
Energy: 0.3353960194803112
Energy: 0.33603492710973887
Energy: 0.475478678987148
Energy: 0.33923611512027285
Energy: 0.3545146179019761
Energy: 0.4079439192686731
Energy: 0.30906880666763875
Energy: 0.33141058352882496
Energy: 0.3295532969644692
Energy: 0.32528186250707963
Energy: 0.324600611795613
Energy: 0.32964474162488555
Energy: 0.33045477318805955
Energy: 0.3292705653831718
Energy: 0.3300670947944565
Energy: 0.3186755657432611
Energy: 0.3189609863028799
Energy: 0.32995650478303973
Energy: 0.34129494224610485
Energy: 0.32908780448382
Energy: 0.5134372022278204
Energy: 0.3415555470311349
Energy: 0.3171060041330078
Energy: 0.35692041213878023
Energy: 0.3403461430796445
Energy: 0.3433534906868913
Energy: 0.5398082004058926
Energy: 0.3295620090836672
Energy: 0.3582866917794646
Energy: 0.3402252081051363
Energy: 0.33364017314945005
Energy: 0.352694277201086
Energy: 0.5418262668860893
Energy: 0.32895833805095803
Energy: 0.3287887240802617
Energy: 0.338195356422441
Energy: 0.32900522330612175
Energy: 0.3104632928909179
Energy: 0.35107352504966727
Energy: 0.33001021969633476
Energy: 0.32922075332530604
Energy: 0.3181141088216667
Energy: 0.3309310187970362
Energy: 0.3274577146535036
Energy: 0.6046211770015292
Energy: 0.33005982541205914
Energy: 0.3295867914051419
Energy: 0.34280972211101735
Energy: 0.32999540969829055
Energy: 0.31822986265453607
Energy: 0.5931434833775144
Energy: 0.3291152400529985
Energy: 0.3346429726982995
Energy: 0.3409081864830617
Energy: 0.3294872337251837
Energy: 0.3265260475001204
Energy: 0.32663065559069226
Energy: 0.3406004586623467
Energy: 0.3444464106359536
Energy: 0.3330925224245223
Energy: 0.3424675323499011
Energy: 0.31694565016701604
Energy: 0.3254909858436299
Energy: 0.3411811861010982
Energy: 0.30704297419907584
Energy: 0.32565888818782085
Energy: 0.3410961389124878
Energy: 0.3050244870481156
Energy: 0.32500994376667897
Energy: 0.3088344756902153
Energy: 0.3096814888793649
Energy: 0.32502901318532473
Energy: 0.3360305787719806
Energy: 0.30531714009716976
Energy: 0.5186152069947617
Energy: 0.3367656130605771
Energy: 0.4268666842637988
Energy: 0.5187539572398823
Energy: 0.35337781209445585
Energy: 0.3494529245096908
Energy: 0.3460855155511357
Energy: 0.3090766055952206
Energy: 0.30810858050867806
Energy: 0.32468999900900614
Energy: 0.3353445036785486
Energy: 0.3049048557109076
Energy: 0.3463806904549709
Energy: 0.3141650698951438
Energy: 0.2924616340373893
Energy: 0.33177081691935406
Energy: 0.33334829905866104
Energy: 0.31335216108148745
Energy: 0.34754372131236283
Energy: 0.33330141602173
Energy: 0.33383376707902784
Energy: 0.31155264122811965
Energy: 0.3325889934218624
Energy: 0.3112037424156271
Energy: 0.6439523201823659
Energy: 0.32448599530163336
Energy: 0.3084971724312898
Energy: 0.34158164029367727
Energy: 0.3248642603524252
Energy: 0.32590109733722206

minimum gb energy = 0.28823323246285676 eV
minimum distance =  2.67642046291989 Angstroms
sigma value = 57


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

Energy: 0.1331247180566379
Energy: 0.46742285954940926
Energy: 0.13383379532787118
Energy: 0.1345495874123248
Energy: 0.46716104090430693
Energy: 0.1332944935492837
Energy: 0.1811283758554242
Energy: 0.14329085184770599
Energy: 0.14043303959158399
Energy: 0.15617753054868336
Energy: 0.14189186703145987
Energy: 0.1482831089701904
Energy: 0.18042383488927308
Energy: 0.15599852199357142
Energy: 0.15645815553468836
Energy: 0.15747811288630176
Energy: 0.15548134842620245
Energy: 0.15702901759788057
Energy: 0.18058510332385252
Energy: 0.15616134553299815
Energy: 0.15647469435921385
Energy: 0.15639113749608471
Energy: 0.1560776687783824
Energy: 0.1572423797827391
Energy: 0.18009727615013282
Energy: 0.1494200213541348
Energy: 0.14761808342283517
Energy: 0.15743127064492893
Energy: 0.13384954401715812
Energy: 0.1408066992679239
Energy: 0.1548395422802736
Energy: 0.13386366297943558
Energy: 0.13428858960218534
Energy: 0.14070367659915267
Energy: 0.13385742407091916
Energy: 0.14648769476507864
Energy: 0.15434896634835354
Energy: 0.14339007985182523
Energy: 0.141127138439295
Energy: 0.15542679609079854
Energy: 0.14196741376122032
Energy: 0.14092073607699307
Energy: 0.15560002958994643
Energy: 0.179591836883439
Energy: 0.1784281133620046
Energy: 0.15571536870549327
Energy: 0.15778643349363802
Energy: 0.15639337897568686
Energy: 0.179463853632262
Energy: 0.15940663649618197
Energy: 0.14124642580588884
Energy: 0.15548896339981835
Energy: 0.15726124815410006
Energy: 0.15899621676162992
Energy: 0.13342748824472075
Energy: 0.1601211477980131
Energy: 0.14715154148683057
Energy: 0.1336461625479045
Energy: 0.1568687897854261
Energy: 0.14648740054150844
Energy: 0.13344169059113847
Energy: 0.14331815187153205
Energy: 0.14020284960577853
Energy: 0.13353876130621753
Energy: 0.1424787810786381
Energy: 0.1474705431118623
Energy: 0.1814812912817169
Energy: 0.1563716055722441
Energy: 0.14199372191341214
Energy: 0.14192375571028465
Energy: 0.15766558975801434
Energy: 0.14023200046004164
Energy: 0.1804407883885175
Energy: 0.18089849743345268
Energy: 0.17845552321397867
Energy: 0.17935662739976896
Energy: 0.1804386420858409
Energy: 0.17848532974851108
Energy: 0.18014165977065624
Energy: 0.15818523594640307
Energy: 0.15827475999195428
Energy: 0.15745321581339122
Energy: 0.15695724156592555
Energy: 0.14002479625742173
Energy: 0.13960298218021802
Energy: 0.13724824239970898
Energy: 0.1334418131441209
Energy: 0.13993220503139875
Energy: 0.1358418922784823
Energy: 0.13424633887056436
Energy: 0.15653994455909143
Energy: 0.14104399375807505
Energy: 0.14841536028831503
Energy: 0.15661995570001883
Energy: 0.13391380792701588
Energy: 0.14004869877638257
Energy: 0.1550191652249029
Energy: 0.15842483510308292
Energy: 0.15860322129906118
Energy: 0.1552656963256743
Energy: 0.15836266281888728
Energy: 0.15677174378413072
Energy: 0.18250977189002945
Energy: 0.15837357071782246
Energy: 0.1786636082746178
Energy: 0.18119476724423045
Energy: 0.15960400421168644
Energy: 0.15683296664536564
Energy: 0.13339738523167916
Energy: 0.14373327297298277
Energy: 0.1402898139426459
Energy: 0.1336860329807119
Energy: 0.14283296377867155
Energy: 0.14122866709578116

minimum gb energy = 0.1331247180566379 eV
minimum distance =  2.73554114355039 Angstroms
sigma value = 11


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

Energy: 0.6742877256837845
Energy: 0.5941388561391395
Energy: 0.3633190819707728
Energy: 0.37536880599906997
Energy: 0.5939019424458584
Energy: 0.3630399025112107
Energy: 0.37757013369120335
Energy: 0.29246544296007493
Energy: 0.2946965995084544
Energy: 0.2916719806410841
Energy: 0.2879359428697352
Energy: 0.28239818742975215
Energy: 0.2848886801921243
Energy: 0.2857386653992954
Energy: 0.28745022219709343
Energy: 0.2855979676196462
Energy: 0.2876113738916921
Energy: 0.2881492224037797
Energy: 0.28464206699526934
Energy: 0.29102708986742276
Energy: 0.29296002150665706
Energy: 0.28598914950810156
Energy: 0.2786338546521615
Energy: 0.2898422678131204
Energy: 0.2874121644584585
Energy: 0.295612973688568
Energy: 0.2813126487273518
Energy: 0.2895796809144844
Energy: 0.32125817403262263
Energy: 0.2921357998875652
Energy: 0.3903017814676458
Energy: 0.3104602679040526
Energy: 0.2909055039726516
Energy: 0.3074225606515428
Energy: 0.31731358268078047
Energy: 0.2811087670566168
Energy: 0.37794329471161353
Energy: 0.29605715506680635
Energy: 0.2884020293072846
Energy: 0.28765254409918234
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Energy: 0.2805338749049511
Energy: 0.3212068715389938
Energy: 0.308718837873919
Energy: 0.31169042499666294
Energy: 0.3076801637010309
Energy: 0.30799577861458755
Energy: 0.30557399830619103
Energy: 0.3935966789690596
Energy: 0.28840259657038597
Energy: 0.3064061171003572
Energy: 0.3045674495364271
Energy: 0.2936725708221005
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Energy: 0.5183605412367336
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Energy: 0.2980934768981858
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Energy: 0.32141711561504815
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Energy: 0.26642656288913186
Energy: 0.30388006967944453
Energy: 0.3225183151404318
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Energy: 0.32319616558696557
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Energy: 0.32001334248190877
Energy: 0.32522817089738315
Energy: 0.3645389181598257
Energy: 0.31860022508242497
Energy: 0.3268617856727665
Energy: 0.2963074275561638
Energy: 0.5189158359083667
Energy: 0.29690766662984724
Energy: 0.2999026620267156
Energy: 0.29889246185098123
Energy: 0.3127440533238865
Energy: 0.3034908501924094
Energy: 0.45126739316430575
Energy: 0.38020257845151595
Energy: 0.29710875173621876
Energy: 0.38970950856388664
Energy: 0.3441432542860234
Energy: 0.28932072493859284
Energy: 0.5135070926270943
Energy: 0.2952425323800068
Energy: 0.2970327611875987
Energy: 0.3169271402347407
Energy: 0.3104118893547018
Energy: 0.2928026259541087
Energy: 0.48224557514023264
Energy: 0.3048151510391412
Energy: 0.3027068450843742
Energy: 0.2935158685330663
Energy: 0.3237488280594069
Energy: 0.2993766335570311
Energy: 0.3779912793939193
Energy: 0.42444217068734036
Energy: 0.32520162394322427
Energy: 0.29131838843732194
Energy: 0.36463529200334754
Energy: 0.32816647342168226
Energy: 0.4985385524516488
Energy: 0.3053023722868258
Energy: 0.29634496399886834
Energy: 0.2912722633269508
Energy: 0.31155844689408124
Energy: 0.2821134961757248
Energy: 0.4169474826656819
Energy: 0.30014525077667614
Energy: 0.3452367592564878
Energy: 0.4177028284913399
Energy: 0.30076583017184705
Energy: 0.29080571791620635
Energy: 0.293786330572626
Energy: 0.3056724193057768
Energy: 0.2998269268236932
Energy: 0.2947693091758483
Energy: 0.3038263747123588
Energy: 0.28852457519780195
Energy: 0.29708004383764075
Energy: 0.30471084669151266
Energy: 0.2858799891962485
Energy: 0.2982333767650417
Energy: 0.2849586404401512
Energy: 0.2902256080473418
Energy: 0.3823658558251103
Energy: 0.2891122388429745
Energy: 0.30408583748366513
Energy: 0.2918888312713628
Energy: 0.2851230115207437
Energy: 0.28727876989034035
Energy: 0.5215723776206377
Energy: 0.2921652305829307
Energy: 0.2910330048211605
Energy: 0.32582039025795106
Energy: 0.29575209889392157
Energy: 0.2742713816740605

minimum gb energy = 0.26642656288913186 eV
minimum distance =  2.68625524794408 Angstroms
sigma value = 41


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

Energy: 0.6524255509664206
Energy: 0.31628581463820843
Energy: 0.3940507235168045
Energy: 0.4263706243788121
Energy: 0.31587667189059887
Energy: 0.4264260623973718
Energy: 0.44743677519838165
Energy: 0.31112998946870574
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Energy: 0.31653844288035543
Energy: 0.3176207229118585
Energy: 0.3125013621240206
Energy: 0.3169370444140932
Energy: 0.2989360422340363
Energy: 0.2995161165196954
Energy: 0.3178895596514759
Energy: 0.31442647465915374
Energy: 0.30031408146494665
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Energy: 0.3113094182315399
Energy: 0.3002475633352315
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Energy: 0.2998087232456221
Energy: 0.30067239683345587
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Energy: 0.3229298479061308
Energy: 0.3194495337576472
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Energy: 0.3320195503950829
Energy: 0.31006011895999397
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Energy: 0.31649134146862673
Energy: 0.36760402611727366
Energy: 0.32894920234541813
Energy: 0.3172654385965094
Energy: 0.37020738976917195
Energy: 0.45161028886020854
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Energy: 0.31690823176111854
Energy: 0.3185279212742895
Energy: 0.3105241532187436
Energy: 0.37583013270509097
Energy: 0.35223091431409437
Energy: 0.35232200775753875
Energy: 0.28331117691431257
Energy: 0.3528017215797808
Energy: 0.2832234334310214
Energy: 0.46039995597845645
Energy: 0.31730001697453813
Energy: 0.34114809122657336
Energy: 0.32524060831021495
Energy: 0.3175089142111849
Energy: 0.32354937077720414
Energy: 0.44999363733876324
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Energy: 0.3259534597061728
Energy: 0.3235904461829944
Energy: 0.32096390118641854
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Energy: 0.45143596019571847
Energy: 0.32600809340872694
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Energy: 0.32282269581981815
Energy: 0.3255665625550989
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Energy: 0.5127668659498564
Energy: 0.3060988148958451
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Energy: 0.3264500409817133
Energy: 0.28557633383327824
Energy: 0.3185046351339955
Energy: 0.3179218939862215
Energy: 0.28427137845359635
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Energy: 0.31117535983555794
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Energy: 0.3108106187646638
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Energy: 0.32520579751380413
Energy: 0.3174641006935576
Energy: 0.3099855794139927
Energy: 0.39814250527385264
Energy: 0.39053297810056464
Energy: 0.3907412725457109
Energy: 0.3982477535927742
Energy: 0.3908642394627607
Energy: 0.390499993160267
Energy: 0.45219106139033916
Energy: 0.31723239269900316
Energy: 0.3121641875029849
Energy: 0.3259450686623332
Energy: 0.3163467634857356
Energy: 0.3126724852653013
Energy: 0.34159132528950387
Energy: 0.35427273920668667
Energy: 0.3548681678832939
Energy: 0.3431239688004747
Energy: 0.3538309546183854
Energy: 0.28313457178231083
Energy: 0.4508036004840897
Energy: 0.31629568703543054
Energy: 0.3162011685586504
Energy: 0.32646792065288505
Energy: 0.31670539523061403
Energy: 0.31031601190308095
Energy: 0.4523202216523124
Energy: 0.3258432160814991
Energy: 0.32707138487098225
Energy: 0.32311912755831407
Energy: 0.3270391491486873
Energy: 0.32710522970763806
Energy: 0.45015116120897847
Energy: 0.3260668162355114
Energy: 0.31878107522870713
Energy: 0.32315378626151575
Energy: 0.326242567836029
Energy: 0.31720060356590435
Energy: 0.588143452835833
Energy: 0.3153401748185381
Energy: 0.3203850594820374
Energy: 0.32386103769513797
Energy: 0.3023986279958279
Energy: 0.32714108676948306
Energy: 0.3657531856284804
Energy: 0.42195903258517803
Energy: 0.42159790428592586
Energy: 0.3661475068153248
Energy: 0.42213282334508556
Energy: 0.42157626212670346
Energy: 0.3173792069463879
Energy: 0.32486012753454985
Energy: 0.32011734184627394
Energy: 0.31737624963470445
Energy: 0.3265022610689538
Energy: 0.32264034278895987
Energy: 0.35227060980395447
Energy: 0.32049650713206135
Energy: 0.35224497261191134
Energy: 0.35300728991920455
Energy: 0.31447310985989274
Energy: 0.3524865494914856
Energy: 0.4475717266582322
Energy: 0.2980823336801945
Energy: 0.3096388018634511
Energy: 0.33448835156270584
Energy: 0.3167828130476486
Energy: 0.3150600854556238
Energy: 0.5616483172894134
Energy: 0.3101476137235348
Energy: 0.3043331162515752
Energy: 0.2993526800590693
Energy: 0.32542521415775927
Energy: 0.30472825205419884

minimum gb energy = 0.28313457178231083 eV
minimum distance =  2.68567008376335 Angstroms
sigma value = 33


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

Energy: 0.46351879005251684
Energy: 0.6621189905231407
Energy: 0.5259307048167791
Energy: 0.43683336657519856
Energy: 0.661080725321877
Energy: 0.5397651912123055
Energy: 0.5211775142844007
Energy: 0.333103586586489
Energy: 0.35221066294439346
Energy: 0.3482458033156734
Energy: 0.33723466852727385
Energy: 0.35183873527843573
Energy: 0.3791314681862018
Energy: 0.3472210308819365
Energy: 0.3437515864774278
Energy: 0.3877364745262102
Energy: 0.33745019828522305
Energy: 0.3549032214500412
Energy: 0.37797008947375416
Energy: 0.3550140653075912
Energy: 0.35638161934909957
Energy: 0.38666965627460037
Energy: 0.36181020079403536
Energy: 0.3476640520971291
Energy: 0.39777227111559627
Energy: 0.3426841010301255
Energy: 0.37597014062455864
Energy: 0.4021751831816376
Energy: 0.34544937583575297
Energy: 0.370812953394369
Energy: 0.45075171515165957
Energy: 0.3558465281945617
Energy: 0.43055456867856157
Energy: 0.4285810559676357
Energy: 0.34535911683113046
Energy: 0.4378111816233564
Energy: 0.5227140141348142
Energy: 0.3702843046002885
Energy: 0.37491935834128837
Energy: 0.4004295559788718
Energy: 0.37293103542514466
Energy: 0.37781801583036156
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Energy: 0.3684029086521986
Energy: 0.32849292378472095
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Energy: 0.329546226045127
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Energy: 0.37136817009755985
Energy: 0.3656074440668101
Energy: 0.3759694005993853
Energy: 0.35828637667012264
Energy: 0.36549085953176946
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Energy: 0.35000713887314905
Energy: 0.3576814482158285
Energy: 0.36904677542508013
Energy: 0.36034972796593834
Energy: 0.3773350541738544
Energy: 0.3572526956670012
Energy: 0.44383818789048873
Energy: 0.4425027566628468
Energy: 0.4519436697835541
Energy: 0.4525980462146254
Energy: 0.44455185710459066
Energy: 0.4422942312582523
Energy: 0.5167812499595958
Energy: 0.3555949331717881
Energy: 0.35168021689311485
Energy: 0.34828040582599223
Energy: 0.3517899479769755
Energy: 0.34974603406477334
Energy: 0.6689287209720153
Energy: 0.3327989528809673
Energy: 0.307778096057106
Energy: 0.3086333651385117
Energy: 0.470310534719777
Energy: 0.34760788912324475

minimum gb energy = 0.307778096057106 eV
minimum distance =  2.63554986039144 Angstroms
sigma value = 67


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

Energy: 0.5349348678994671
Energy: 0.5589151685104465
Energy: 0.3219502840950487
Energy: 0.3218186738277103
Energy: 0.561112551687607
Energy: 0.321778049775227
Energy: 0.3811138974306622
Energy: 0.34931884280740505
Energy: 0.3488313514751759
Energy: 0.34743078012215395
Energy: 0.3492230948305709
Energy: 0.3489073041853897
Energy: 0.38794271745011
Energy: 0.3207552737493738
Energy: 0.3385840661756118
Energy: 0.33891348103419716
Energy: 0.3224455063519024
Energy: 0.33844013053061195
Energy: 0.38707273351024274
Energy: 0.34070058064812586
Energy: 0.3398309797273858
Energy: 0.34314788306433913
Energy: 0.33940472433444613
Energy: 0.339846931230132
Energy: 0.3814942424973704
Energy: 0.34413708436402285
Energy: 0.3523368124199289
Energy: 0.38109110406306757
Energy: 0.3411988538532352
Energy: 0.35263271245558464
Energy: 0.3816921334941184
Energy: 0.3322844816953494
Energy: 0.35055481286276585
Energy: 0.38221888156827183
Energy: 0.3324643871816466
Energy: 0.3530741430313072
Energy: 0.4349506712546725
Energy: 0.3486961501848945
Energy: 0.34998407471383564
Energy: 0.3220720433564745
Energy: 0.34964172273176025
Energy: 0.34950878461063145

minimum gb energy = 0.3207552737493738 eV
minimum distance =  2.72061168538457 Angstroms
sigma value = 3


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

Energy: 0.7214237390696252
Energy: 0.6579578869409235
Energy: 0.44026043056655917
Energy: 0.40232754114651526
Energy: 0.6447654074697969
Energy: 0.44201510388885007
Energy: 0.3769891649538554
Energy: 0.429788778002058
Energy: 0.3776966486855951
Energy: 0.38040724398576575
Energy: 0.4629022505270106
Energy: 0.3796893873936112
Energy: 0.3790086918005276
Energy: 0.3763813824843346
Energy: 0.3775923082247877
Energy: 0.3786193642411207
Energy: 0.37571688768718897
Energy: 0.37753900090056136
Energy: 0.37850884261881806
Energy: 0.37697918007090586
Energy: 0.3768966890328265
Energy: 0.3792323742052111
Energy: 0.37475448362669056
Energy: 0.37669353440645675
Energy: 0.38423863900897154
Energy: 0.37939888697021074
Energy: 0.3796449030939542
Energy: 0.3848342519728368
Energy: 0.394692260718922
Energy: 0.3795657570123132
Energy: 0.42217597309824745
Energy: 0.379109790653246
Energy: 0.37943552235824124
Energy: 0.4339018548640726
Energy: 0.397614421627659
Energy: 0.3794215868039815
Energy: 0.379353737705945
Energy: 0.44383827634764966
Energy: 0.44385888196616324
Energy: 0.3842072924751337
Energy: 0.4531259457952678
Energy: 0.4096431520087697
Energy: 0.5129532940509864
Energy: 0.4349614550371614
Energy: 0.47292749280513124
Energy: 0.3776484465553315
Energy: 0.40105727926253704
Energy: 0.4269651920750204
Energy: 0.5356587710475647
Energy: 0.44388925792399486
Energy: 0.40814975794019237
Energy: 0.4254193995738221
Energy: 0.4528713266907386
Energy: 0.3878008162740486
Energy: 0.5005046285705419
Energy: 0.3770447291205701
Energy: 0.3893631099766194
Energy: 0.475647564986465
Energy: 0.3774140635280204
Energy: 0.3872529805534263
Energy: 0.44567237252106023
Energy: 0.40232470025452205
Energy: 0.4003117948756228
Energy: 0.4436605857541535
Energy: 0.40610391494689824
Energy: 0.4406915215366779
Energy: 0.47040320108692796
Energy: 0.4036438752455793
Energy: 0.37917780417562846
Energy: 0.41320648853978237
Energy: 0.4194761310494344
Energy: 0.37899952294813866
Energy: 0.4432551800888103
Energy: 0.38379012004910884
Energy: 0.40675086850931413
Energy: 0.38405772785742376
Energy: 0.3915525202472274
Energy: 0.3794872137381858
Energy: 0.4935963749967068
Energy: 0.38355144653083656
Energy: 0.3792410673788702
Energy: 0.407305444599332
Energy: 0.3802886614297554
Energy: 0.3790486815607182
Energy: 0.4665998687160222
Energy: 0.37942163651847804
Energy: 0.3795345200139972
Energy: 0.3779229838094764
Energy: 0.37997364406264383
Energy: 0.44134159047043026
Energy: 0.5089850191330743
Energy: 0.3827935396489727
Energy: 0.38107573103227976
Energy: 0.4454766979105918
Energy: 0.39385400698859496
Energy: 0.37936407186267895
Energy: 0.5028502336398396
Energy: 0.41125365816793963
Energy: 0.40968954678852443
Energy: 0.47961175930892114
Energy: 0.3755056958552343
Energy: 0.44876811245640313
Energy: 0.48528839344085223
Energy: 0.41227137885609083
Energy: 0.4016780807491028
Energy: 0.48302133202416614
Energy: 0.41496892650360323
Energy: 0.40618199699718277
Energy: 0.529321979559422
Energy: 0.401420002863043
Energy: 0.40451428080788493
Energy: 0.37738239497001314
Energy: 0.44672926913556404
Energy: 0.37769209264795556
Energy: 0.4862051244294367
Energy: 0.4011785011207129
Energy: 0.4060365279422667
Energy: 0.3775589371080122
Energy: 0.4019915364846855
Energy: 0.38949445855235976
Energy: 0.42152071806843183
Energy: 0.40608450755736525
Energy: 0.4074635173976807
Energy: 0.40468850769527165
Energy: 0.4114002772621873
Energy: 0.4013224600752909
Energy: 0.41594702684766105
Energy: 0.437757602322547
Energy: 0.4294530904332426
Energy: 0.4243727437983555
Energy: 0.42745268933724656
Energy: 0.4294810423328631
Energy: 0.4084151008328523
Energy: 0.39918487790290547
Energy: 0.4316737051033054
Energy: 0.410746137580891
Energy: 0.4063430041118367
Energy: 0.42458039015383364
Energy: 0.4080410740434848
Energy: 0.3775489923976428
Energy: 0.37869595088534025
Energy: 0.40816643587304813
Energy: 0.3784928311245518
Energy: 0.411004135108339
Energy: 0.3765684815322238
Energy: 0.37404218383116133
Energy: 0.3726376434830585
Energy: 0.4201571504878653
Energy: 0.37880535795948533
Energy: 0.376026753376483
Energy: 0.6458944762784871
Energy: 0.38246922399969224
Energy: 0.4617643832365842
Energy: 0.3720129080914287
Energy: 0.45065817318585333
Energy: 0.3845261708526624
Energy: 0.54652337910185
Energy: 0.38916397769949707
Energy: 0.4598421866672952
Energy: 0.3723260922132273
Energy: 0.4802221608751226
Energy: 0.410411792423947
Energy: 0.38020009539626193
Energy: 0.3743715893867726
Energy: 0.3727895901499763
Energy: 0.40404224386573373
Energy: 0.37515556761541147
Energy: 0.3730116616763964
Energy: 0.38441220603159604
Energy: 0.3771109249804563
Energy: 0.3777708037207024
Energy: 0.38440881995614273
Energy: 0.37630924114296055
Energy: 0.38594956350033754
Energy: 0.38540352134676414
Energy: 0.3977148647940365
Energy: 0.3980537321721028
Energy: 0.3859478180250909
Energy: 0.41642311801876636
Energy: 0.3875146192609875
Energy: 0.38859356555490804
Energy: 0.40265385248435376
Energy: 0.39977445790950444
Energy: 0.3977571538521575
Energy: 0.40300888254773704
Energy: 0.3991169864127483
Energy: 0.39127966831325917
Energy: 0.4031329103249621
Energy: 0.4018324555798159
Energy: 0.39953743707926764
Energy: 0.44459840046796983
Energy: 0.3970998901146157
Energy: 0.621786209272801
Energy: 0.43615920091849636
Energy: 0.396542375382204
Energy: 0.37660029053760213
Energy: 0.43398453704602574
Energy: 0.41252891004908837
Energy: 0.5355156121808793
Energy: 0.44292900085420417
Energy: 0.43918137865746953
Energy: 0.40928859725026545
Energy: 0.469320105111112
Energy: 0.4265985406666975
Energy: 0.4133176574441044
Energy: 0.4029338209243127
Energy: 0.39954994937495536
Energy: 0.43627168394318466
Energy: 0.4038809863928912
Energy: 0.40930184060081365
Energy: 0.4521815394645566
Energy: 0.37762125243622713
Energy: 0.389237923628052
Energy: 0.44841548108666346
Energy: 0.377445947194521
Energy: 0.4279757667405468
Energy: 0.458488768601924
Energy: 0.38764520380068596
Energy: 0.3810876145955088
Energy: 0.4390407399642963
Energy: 0.41712795648137335
Energy: 0.4314878866972457
Energy: 0.4354222238687646
Energy: 0.42926201120229157
Energy: 0.42967912532576136
Energy: 0.38086847671855034
Energy: 0.4284295274227357
Energy: 0.4298040978410835
Energy: 0.42819492263339176
Energy: 0.3831165697216318
Energy: 0.38373356392190755
Energy: 0.3980166526130414
Energy: 0.3813263579577868
Energy: 0.382617970371486
Energy: 0.4659789871257746
Energy: 0.3798399003485301
Energy: 0.37987612375880453
Energy: 0.3774550102447157
Energy: 0.3857640598470373
Energy: 0.379839173178949
Energy: 0.4951019749354122
Energy: 0.38281416300846494
Energy: 0.37921430132068296
Energy: 0.37931627227352516
Energy: 0.3983818772968499
Energy: 0.3790868501184869
Energy: 0.4986550326000161
Energy: 0.4197871936822976
Energy: 0.4258036927072874
Energy: 0.4860028372563595
Energy: 0.3744921285613818
Energy: 0.38117226940274773
Energy: 0.5082105841602241
Energy: 0.3743199235780001
Energy: 0.4112087500321695
Energy: 0.5065152796903226
Energy: 0.37457074154310716
Energy: 0.378552379013606
Energy: 0.5418448451073168
Energy: 0.4049552212464202
Energy: 0.39664279315795803
Energy: 0.41310239792107595
Energy: 0.40267081503940055
Energy: 0.3807499044719367
Energy: 0.6302145253121285
Energy: 0.40095899212141445
Energy: 0.4034545079004882
Energy: 0.40276490867661696
Energy: 0.4008407448963038
Energy: 0.40372159269080515
Energy: 0.4058740927451487
Energy: 0.4060106032849868
Energy: 0.4099491722092342
Energy: 0.38681677562307953
Energy: 0.40322479046806015
Energy: 0.4052384235637657
Energy: 0.40822437220379304
Energy: 0.4312639476320665
Energy: 0.4314448806727734
Energy: 0.4245238067790101
Energy: 0.41286789571818083
Energy: 0.4303162727782439
Energy: 0.41427915884769856
Energy: 0.40398518212697043
Energy: 0.3945522636091825
Energy: 0.4142250213611584
Energy: 0.40858959336730505
Energy: 0.39837764267412823
Energy: 0.40216398401643894
Energy: 0.37636542901208575
Energy: 0.37790246486687756
Energy: 0.4034868724470488
Energy: 0.37633175636513466
Energy: 0.4018110120463652
Energy: 0.4320051036563361
Energy: 0.3766398426803121
Energy: 0.37665047635169496
Energy: 0.45922622211525327
Energy: 0.3765270744889975
Energy: 0.3777402242866504
Energy: 0.44592792635779455
Energy: 0.38063116949207454
Energy: 0.37826856613826604
Energy: 0.40317946675352884
Energy: 0.4612482223476296
Energy: 0.40277048836503326

minimum gb energy = 0.3720129080914287 eV
minimum distance =  2.59482890015384 Angstroms
sigma value = 81


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

Energy: 0.8468041519148326
Energy: 0.41807384257290914
Energy: 0.40549085992831224
Energy: 0.40736899627220297
Energy: 0.5279094836839002
Energy: 0.4545257371809658
Energy: 0.45473434271372853
Energy: 0.3862673757385138
Energy: 0.38645416228459084
Energy: 0.3826356932481368
Energy: 0.41451434821321853
Energy: 0.39429358040174833
Energy: 0.4899078832049084
Energy: 0.421485722220272
Energy: 0.4219568505971451
Energy: 0.435717111954499
Energy: 0.40389738733673813
Energy: 0.4208078316475573
Energy: 0.458652952990621
Energy: 0.4163027903440545
Energy: 0.4715569935571905
Energy: 0.45741361800426905
Energy: 0.40355728298368254
Energy: 0.4386788279553945
Energy: 0.4522163010158117
Energy: 0.44605209281480035
Energy: 0.45809444005277095
Energy: 0.4535049418188983
Energy: 0.45969873721689175
Energy: 0.440645609613022
Energy: 0.476164659268457
Energy: 0.45157068920620463
Energy: 0.4462695952008832
Energy: 0.4957520961666858
Energy: 0.4525291627129861
Energy: 0.44724612032775546
Energy: 0.4666885823277479
Energy: 0.45204424802337284
Energy: 0.45343390306376946
Energy: 0.4586329085039942
Energy: 0.4553427973172604
Energy: 0.45459280896122184
Energy: 0.676667845185939
Energy: 0.45479105520152874
Energy: 0.48633597944521395
Energy: 0.3969362613400515
Energy: 0.5929698685940132
Energy: 0.4097046253415936
Energy: 0.5096824334228097
Energy: 0.44911964990917363
Energy: 0.452503484063137
Energy: 0.48332488341207086
Energy: 0.45000174629918765
Energy: 0.45109093895750346
Energy: 0.49092798382497954
Energy: 0.41616521181518223
Energy: 0.4200069636408046
Energy: 0.4640424067362227
Energy: 0.4162493728762406
Energy: 0.42369522822825834
Energy: 0.4645176022611585
Energy: 0.4154461620385451
Energy: 0.4175120830823153
Energy: 0.4714710566284528
Energy: 0.414069389100256
Energy: 0.4611939925808802
Energy: 0.44365651142525603
Energy: 0.4864577698194292
Energy: 0.48620139443068455
Energy: 0.4063772641086141
Energy: 0.48573331736558917
Energy: 0.47270247304441326
Energy: 0.4440510987413378
Energy: 0.4709914740648852
Energy: 0.49479562421149004
Energy: 0.4209585249219158
Energy: 0.47142596377252566
Energy: 0.42274202721189263
Energy: 0.4859074686262816
Energy: 0.4474581995270125
Energy: 0.44628372035648123
Energy: 0.4463944308805874
Energy: 0.44202092712980307
Energy: 0.4481077328605569
Energy: 0.5456336294303495
Energy: 0.44650300320949204
Energy: 0.4390576666164756
Energy: 0.43545983627633816
Energy: 0.44582749546967837
Energy: 0.45693773392116793
Energy: 0.5438388957933569
Energy: 0.44613130710216004
Energy: 0.4358960221354745
Energy: 0.44040764241329955
Energy: 0.43187295301119094
Energy: 0.45024078287332053
Energy: 0.5404686601095559
Energy: 0.38799061653582034
Energy: 0.38752175421794355
Energy: 0.48519493091422466
Energy: 0.38839690679962935
Energy: 0.41046618166967835
Energy: 0.46048669018189115
Energy: 0.36189643113028513
Energy: 0.36186313079913984
Energy: 0.4366943996460876
Energy: 0.3616771258764293
Energy: 0.3645804221565833
Energy: 0.5382476265997655
Energy: 0.35861711012766756
Energy: 0.42414403900666625
Energy: 0.42360341792983197
Energy: 0.35852718192829786
Energy: 0.358417749115794
Energy: 0.5282125788178966
Energy: 0.35880417842718376
Energy: 0.42421084432367284
Energy: 0.4125318389010278
Energy: 0.3585382475212662
Energy: 0.35886621524311085
Energy: 0.35796399023521314
Energy: 0.36215451819070316
Energy: 0.36047662139120346
Energy: 0.380717567903802
Energy: 0.3621752997850642
Energy: 0.35924633859041244
Energy: 0.4734709021425128
Energy: 0.42457848033602363
Energy: 0.43920412863747904
Energy: 0.48364094761535886
Energy: 0.42422175620655656
Energy: 0.43775123400644966
Energy: 0.45400016748497624
Energy: 0.42850598358180714
Energy: 0.43575175502660457
Energy: 0.4461254423280148
Energy: 0.4317436755250266
Energy: 0.4490577087979943
Energy: 0.45873355120964376
Energy: 0.45906554308597014
Energy: 0.43464852260175374
Energy: 0.43417893444405375
Energy: 0.43490787233470135
Energy: 0.44747172982292566
Energy: 0.48771257989648387
Energy: 0.43420944578384274
Energy: 0.44758270334445993
Energy: 0.44686541401454044
Energy: 0.44709962015875
Energy: 0.44832109339142906
Energy: 0.5271620091049685
Energy: 0.5080815063243607
Energy: 0.46944712651145576
Energy: 0.3878745924785647
Energy: 0.50921287151452
Energy: 0.47123672538673284
Energy: 0.4481066845410809
Energy: 0.5013603899578148
Energy: 0.4703766651936161
Energy: 0.38758479985225436
Energy: 0.49267981195065813
Energy: 0.45138071320972595
Energy: 0.468713980902409
Energy: 0.4133662936900088
Energy: 0.45347217894563574
Energy: 0.47066773876544754
Energy: 0.4102615143853312
Energy: 0.461024714727931
Energy: 0.48506929029538237
Energy: 0.4156131175189255
Energy: 0.41977904376943753
Energy: 0.44398128336934334
Energy: 0.41580569957547253
Energy: 0.4241469363972777
Energy: 0.5055753460952405
Energy: 0.4650495412202305
Energy: 0.45123223046094546
Energy: 0.48174221671067524
Energy: 0.46541121914016936
Energy: 0.4496011646339822
Energy: 0.44395028097261113
Energy: 0.47547415211758115
Energy: 0.4768061537107197
Energy: 0.42240756779901933
Energy: 0.4946678197758451
Energy: 0.42402480848331064
Energy: 0.48090340033628365
Energy: 0.4506303366312929
Energy: 0.45154404257683783
Energy: 0.454645757516248
Energy: 0.45231240153353297
Energy: 0.44372370597127786
Energy: 0.5394331876082111
Energy: 0.44406348803463364
Energy: 0.45251938219116994
Energy: 0.45175566688533136
Energy: 0.45001011618542464
Energy: 0.4542698068946281
Energy: 0.5332032033810368
Energy: 0.44676434380540914
Energy: 0.46002744253926814
Energy: 0.4576744419109749
Energy: 0.45902283264481514
Energy: 0.44696784636349496
Energy: 0.5308701052859941
Energy: 0.42305583173861827
Energy: 0.45751820877947785
Energy: 0.48613737121650363
Energy: 0.38780227333912404
Energy: 0.4521990963529308
Energy: 0.5480536003583973
Energy: 0.388311417841192
Energy: 0.3884972233437314
Energy: 0.5272203811856314
Energy: 0.3881566347537831
Energy: 0.5237333983906263
Energy: 0.5467612866498461
Energy: 0.3864558688551925
Energy: 0.3877431065597239
Energy: 0.3960785065623023
Energy: 0.41407283145992746
Energy: 0.41328762742145286
Energy: 0.5909347024104756
Energy: 0.42623084148885193
Energy: 0.40557266085174853
Energy: 0.36657571851431925
Energy: 0.4254972527726909
Energy: 0.449608147159214

minimum gb energy = 0.35796399023521314 eV
minimum distance =  2.63432726557097 Angstroms
sigma value = 43


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

Energy: 0.7684838523788597
Energy: 0.4992544174025435
Energy: 0.44251834411357444
Energy: 0.39922260941542725
Energy: 0.6584087663762125
Energy: 0.39937914373725925
Energy: 0.37250417499910465
Energy: 0.42328009640199354
Energy: 0.4160243936556216
Energy: 0.37266626715457485
Energy: 0.43592350507838623
Energy: 0.3791233179901641
Energy: 0.37257196076802834
Energy: 0.3610630249897174
Energy: 0.3611432298754586
Energy: 0.37276171460023716
Energy: 0.3604422328397185
Energy: 0.3731446913341885
Energy: 0.3745388569422789
Energy: 0.3598121637601436
Energy: 0.3721077074371702
Energy: 0.37235005155114764
Energy: 0.367260964384862
Energy: 0.37192904039234004
Energy: 0.38114207657227606
Energy: 0.4332058014098622
Energy: 0.41064757548594083
Energy: 0.38448900778600786
Energy: 0.43238645133841375
Energy: 0.41186353257155084
Energy: 0.3843818092390956
Energy: 0.407111277125598
Energy: 0.4334276243348504
Energy: 0.4322032688840312
Energy: 0.38057613133894097
Energy: 0.43276263021949957
Energy: 0.39266266146066553
Energy: 0.37140625848933734
Energy: 0.382587321027326
Energy: 0.4118835477581375
Energy: 0.37278374398768377
Energy: 0.3821924341317621
Energy: 0.4728153077539274
Energy: 0.37311375331869306
Energy: 0.37234080947355214
Energy: 0.361550930819456
Energy: 0.37353951090238285
Energy: 0.4153597514773421
Energy: 0.3966221094712416
Energy: 0.37208104054834906
Energy: 0.37189237245073964
Energy: 0.4171388752747023
Energy: 0.3720645948777094
Energy: 0.37177807772671895
Energy: 0.5147719985422401
Energy: 0.3720582806507076
Energy: 0.40787776670234394
Energy: 0.5109935679649839
Energy: 0.37145511208083104
Energy: 0.4083488184733861
Energy: 0.4347339512957603
Energy: 0.40503940907869607
Energy: 0.3782268779468927
Energy: 0.38739902107890883
Energy: 0.41075498775169417
Energy: 0.41182352726747673
Energy: 0.4742916731722635
Energy: 0.37226048075757145
Energy: 0.37204781080816113
Energy: 0.39491441091881885
Energy: 0.3724202693886038
Energy: 0.37183108272528903
Energy: 0.5069887589858073
Energy: 0.37253733572473924
Energy: 0.38370788687030066
Energy: 0.35993984903110965
Energy: 0.4062312061228421
Energy: 0.3838654404064607
Energy: 0.36603122409575983
Energy: 0.3823427638664686
Energy: 0.4214902686722746
Energy: 0.36861477436711637
Energy: 0.40410355260623876
Energy: 0.40210187110007234
Energy: 0.3704751344631998
Energy: 0.4313786916571693
Energy: 0.43260683562345664
Energy: 0.3694510556713653
Energy: 0.431148707018552
Energy: 0.4321855056586527
Energy: 0.36563530385251247
Energy: 0.36550052110198983
Energy: 0.3665946626898639
Energy: 0.366646141291943
Energy: 0.42044614396194213
Energy: 0.365446546729526
Energy: 0.3627483727338899
Energy: 0.3622935365790409
Energy: 0.362346359385055
Energy: 0.36304470803959077
Energy: 0.4288008610517443
Energy: 0.3632363880026226
Energy: 0.36276474536313524
Energy: 0.3626936527724888
Energy: 0.36225981637302035
Energy: 0.3627235044660454
Energy: 0.4129864184614666
Energy: 0.36229591063022343
Energy: 0.462216832765405
Energy: 0.39743185497867345
Energy: 0.3627588336642126
Energy: 0.3797369899025867
Energy: 0.46367359601421576
Energy: 0.3713276299232932
Energy: 0.5308457654435083
Energy: 0.39763111730755807
Energy: 0.36266530464202285
Energy: 0.3709654652206724
Energy: 0.4312707789024288
Energy: 0.37139932819166765
Energy: 0.36235683065739915
Energy: 0.39534884829341466
Energy: 0.42643468198780704
Energy: 0.3930925720801586
Energy: 0.4097689269926064
Energy: 0.3953297441645997
Energy: 0.4696055045154833
Energy: 0.38470700174538625
Energy: 0.40042440965207243
Energy: 0.4564096381157073
Energy: 0.360678750208291
Energy: 0.4001924404771241
Energy: 0.42229291737971003
Energy: 0.3626784235955596
Energy: 0.39509187962148373
Energy: 0.4221980410317745
Energy: 0.3625918196595039
Energy: 0.4173494046132716
Energy: 0.43796329411803675
Energy: 0.36256783100879425
Energy: 0.3627296646067396
Energy: 0.3631956386248681
Energy: 0.43396946960998545
Energy: 0.3628441182138207
Energy: 0.44439617754494853
Energy: 0.3622485506658679
Energy: 0.3623000723384181
Energy: 0.4024565943482822
Energy: 0.362551404907067
Energy: 0.3619907500064613
Energy: 0.4163122475816432
Energy: 0.3691959201076037
Energy: 0.3699462737403221
Energy: 0.40280848067013403
Energy: 0.3696129241166718
Energy: 0.40417951276377184
Energy: 0.4160598817433374
Energy: 0.42822757288156865
Energy: 0.4279061244045458
Energy: 0.384993464029037
Energy: 0.40236063695373364
Energy: 0.40376573794999626
Energy: 0.40913293665491285
Energy: 0.41706400698964685
Energy: 0.41292269939817544
Energy: 0.4100816698789771
Energy: 0.36830160282426905
Energy: 0.37886680988560445
Energy: 0.419695373201227
Energy: 0.37264043676914194
Energy: 0.37275668838539816
Energy: 0.4156826831515448
Energy: 0.36161282629711233
Energy: 0.3729266197544271
Energy: 0.37388375869073553
Energy: 0.42284753288733645
Energy: 0.4118010234226634
Energy: 0.39565645904245117
Energy: 0.436307727558524
Energy: 0.37229987977438384
Energy: 0.6509341028647402
Energy: 0.4938976672759935
Energy: 0.4327550169771683
Energy: 0.3840581583421489
Energy: 0.44824696255245905
Energy: 0.43186940270306445

minimum gb energy = 0.3598121637601436 eV
minimum distance =  2.60394959597009 Angstroms
sigma value = 57


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

Energy: 0.5835805819962787
Energy: 0.41159126565156184
Energy: 0.40927835961146325
Energy: 0.4342690230022218
Energy: 0.4113562458324603
Energy: 0.4094682988305665
Energy: 0.36678075904946794
Energy: 0.4183063963432725
Energy: 0.36397677717890964
Energy: 0.36547975778259056
Energy: 0.36538785089741027
Energy: 0.34755399237792306
Energy: 0.40216129047544413
Energy: 0.4338498676648501
Energy: 0.43731204287509656
Energy: 0.41970028435516926
Energy: 0.4346660841037029
Energy: 0.3884261548340217
Energy: 0.3666595973573416
Energy: 0.32996015323358335
Energy: 0.3309231158689795
Energy: 0.3670934548927635
Energy: 0.3295342902137011
Energy: 0.36300372122292335
Energy: 0.3652045117914401
Energy: 0.3892999129820408
Energy: 0.3480542931528082
Energy: 0.3635452513428937
Energy: 0.43589689610993343
Energy: 0.39138370075348955
Energy: 0.3307875631358233
Energy: 0.4367093428031455
Energy: 0.4362086286783931
Energy: 0.4356534694184083
Energy: 0.3900651854410365
Energy: 0.4354893546939778
Energy: 0.3636661811552618
Energy: 0.3632739354662694
Energy: 0.36332601435342904
Energy: 0.3638298416959247
Energy: 0.3644256213519659
Energy: 0.36262976647945416
Energy: 0.36162102035361937
Energy: 0.4244047445475998
Energy: 0.4234234579921767
Energy: 0.4355494024180077
Energy: 0.42560529876883435
Energy: 0.4214137849313477
Energy: 0.3658794626987901
Energy: 0.36356034576362384
Energy: 0.36390748011344154
Energy: 0.366700948512922
Energy: 0.4180029113938666
Energy: 0.3641802319880208
Energy: 0.4225630775174057
Energy: 0.41869373397965026
Energy: 0.4188740617944535
Energy: 0.41094000832679056
Energy: 0.4186928492332607
Energy: 0.363199961507567
Energy: 0.39725664151449364
Energy: 0.3625176711017577
Energy: 0.4136575663835712
Energy: 0.3657690402611898
Energy: 0.36209013087288056
Energy: 0.36301862259790907
Energy: 0.3295031071890973
Energy: 0.4186401169740335
Energy: 0.41845433915797575
Energy: 0.3295654698383345
Energy: 0.3656200213205713
Energy: 0.3950105817747222
Energy: 0.5815083334519487
Energy: 0.41969095093935116
Energy: 0.396222724460605
Energy: 0.3772687768502329
Energy: 0.4190941727980177
Energy: 0.39617823136408664
Energy: 0.3634394042853863
Energy: 0.3662403792003665
Energy: 0.3464172679621198
Energy: 0.36640440055290185
Energy: 0.3664362963381314
Energy: 0.3638779046421296
Energy: 0.3639819940927529
Energy: 0.43319665145741126
Energy: 0.43645701049835767
Energy: 0.36451708530494287
Energy: 0.4337782857070018
Energy: 0.43389723788148504
Energy: 0.363301291405933
Energy: 0.3462314168631856
Energy: 0.3469373958325814
Energy: 0.3633381945627251
Energy: 0.3895258974084506
Energy: 0.39076715495497183
Energy: 0.3633619008065763
Energy: 0.4370188517608242
Energy: 0.43575422767694105
Energy: 0.34757236978355294
Energy: 0.4367703748742262
Energy: 0.43559607526544997
Energy: 0.36346249094443334
Energy: 0.39021824588192744
Energy: 0.34655974395379247
Energy: 0.3901732711369395
Energy: 0.36448392983182826
Energy: 0.346132184622355
Energy: 0.3683930870660496
Energy: 0.3633715021681613
Energy: 0.3635591667133642
Energy: 0.34675878910313285
Energy: 0.36458199710360206
Energy: 0.4178433683009923
Energy: 0.3690814574617324
Energy: 0.41970828240340685
Energy: 0.4197349920456154
Energy: 0.39034029335534925
Energy: 0.4190803924290563
Energy: 0.4188258703702413
Energy: 0.370861540068663
Energy: 0.3652736602010888
Energy: 0.36423126072829826
Energy: 0.36606929924103343
Energy: 0.3656211508848653
Energy: 0.347084628372543
Energy: 0.42600646369391704
Energy: 0.4202233262203018
Energy: 0.42012748689255985
Energy: 0.40986446981404845
Energy: 0.4203692157515447
Energy: 0.4207164232586887
Energy: 0.3634952359439177
Energy: 0.3651839109932333
Energy: 0.36519534935165504
Energy: 0.366522158825303
Energy: 0.3664073072983644
Energy: 0.42914951913345084
Energy: 0.5815962462369153
Energy: 0.41975387902358036
Energy: 0.39627048853237234
Energy: 0.39594125308741573
Energy: 0.43286700075288054
Energy: 0.3963694497060524

minimum gb energy = 0.3295031071890973 eV
minimum distance =  2.69283767825645 Angstroms
sigma value = 17


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

Energy: 0.492015097692582
Energy: 0.5275242686005972
Energy: 0.4477672766507043
Energy: 0.45450585403480714
Energy: 0.5715080148794526
Energy: 0.3648274028488397
Energy: 0.5314559953636638
Energy: 0.3864392718714838
Energy: 0.35730876427147673
Energy: 0.3889852023922085
Energy: 0.3867036165738849
Energy: 0.35690674348465506
Energy: 0.3873053564744376
Energy: 0.3399607780312855
Energy: 0.34004011757504216
Energy: 0.3865675923528875
Energy: 0.33973234551661813
Energy: 0.34015707790652167
Energy: 0.3866077429498532
Energy: 0.339414508871211
Energy: 0.3397191359021593
Energy: 0.3868995651040654
Energy: 0.3115688823789142
Energy: 0.4039342207890571
Energy: 0.33120062084743646
Energy: 0.32713629130011784
Energy: 0.3275178972912475
Energy: 0.331637615099791
Energy: 0.3272756897981654
Energy: 0.3812926950521202
Energy: 0.34140662179775644
Energy: 0.32707637183645627
Energy: 0.3268785967367453
Energy: 0.4130388911729666
Energy: 0.3270363278126663
Energy: 0.36747923450225545
Energy: 0.37648656645216644
Energy: 0.32651760114119743
Energy: 0.32597982152592225
Energy: 0.37383137321825766
Energy: 0.3274558549670622
Energy: 0.3641542195228423
Energy: 0.328094128428772
Energy: 0.41514057433466905
Energy: 0.4150826172828914
Energy: 0.4142764488005271
Energy: 0.3791933435830711
Energy: 0.41479744472825697
Energy: 0.32691516151508937
Energy: 0.33143173063831505
Energy: 0.3262078249222921
Energy: 0.3278521204096053
Energy: 0.3749779589285755
Energy: 0.3263842618954218
Energy: 0.3269263877072484
Energy: 0.38322579765011644
Energy: 0.3832553169805723
Energy: 0.32680250123750393
Energy: 0.38275216897471315
Energy: 0.3830545004791621
Energy: 0.37661614711357116
Energy: 0.3569114879112051
Energy: 0.32723860364756374
Energy: 0.3756822133357665
Energy: 0.3758001786454221
Energy: 0.3270549444878622
Energy: 0.40942455992479604
Energy: 0.3865885154757643
Energy: 0.38689839837521267
Energy: 0.3556465720641944
Energy: 0.3873676126078254
Energy: 0.38701684552792576
Energy: 0.41324109162874845
Energy: 0.4476957340900679
Energy: 0.4479513437774125
Energy: 0.3582791718573239
Energy: 0.38751414367895004
Energy: 0.4274355960265931
Energy: 0.4110282650349992
Energy: 0.3877791542951896
Energy: 0.38709832021123264
Energy: 0.3332697754204896
Energy: 0.3882568210553339
Energy: 0.35642970792506545
Energy: 0.3907330257465176
Energy: 0.39265693796987283
Energy: 0.38894415857245707
Energy: 0.5184098066812343
Energy: 0.391928916594444
Energy: 0.4048461130536949
Energy: 0.5012108968778967
Energy: 0.38810572490806805
Energy: 0.3877872001048464
Energy: 0.38743206935214036
Energy: 0.38880048335667694
Energy: 0.35799505604408793
Energy: 0.45828442758529325
Energy: 0.3874869108975534
Energy: 0.4337207653882138
Energy: 0.3437704021295024
Energy: 0.3879217730211394
Energy: 0.43357093492341964

minimum gb energy = 0.3115688823789142 eV
minimum distance =  2.66219819318842 Angstroms
sigma value = 17


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

Energy: 0.46587257323531717
Energy: 0.5369833439526366
Energy: 0.37704653896638257
Energy: 0.4531539467769109
Energy: 0.4057145785615432
Energy: 0.4529347006735337
Energy: 0.43671714615425683
Energy: 0.3844904593596842
Energy: 0.36828074684243267
Energy: 0.40313688722517715
Energy: 0.3827318926661958
Energy: 0.3808220231685889
Energy: 0.4002384748136333
Energy: 0.3139817356228066
Energy: 0.3548689046112147
Energy: 0.4076714898544128
Energy: 0.31332850895070624
Energy: 0.35482323616475014
Energy: 0.3417946054208151
Energy: 0.38375934437688247
Energy: 0.3546805525918225
Energy: 0.3841420140029656
Energy: 0.43253050077000366
Energy: 0.35455591372786294
Energy: 0.39941062720466386
Energy: 0.3381887066485751
Energy: 0.3351369277922631
Energy: 0.4004057686269451
Energy: 0.33670005340328624
Energy: 0.3362534562584646
Energy: 0.4187869484348271
Energy: 0.33432547030329757
Energy: 0.31486278742862894
Energy: 0.31315731715871575
Energy: 0.3341995952373089
Energy: 0.31440884857917334
Energy: 0.4131557164896013
Energy: 0.3383426922925316
Energy: 0.3407637540087914
Energy: 0.35229260597020745
Energy: 0.3363344932923569
Energy: 0.3662209456993642
Energy: 0.30813283987050705
Energy: 0.3022491749516746
Energy: 0.4016533786315534
Energy: 0.34942645300110553
Energy: 0.3015741107146158
Energy: 0.39974879136467817
Energy: 0.310157819922088
Energy: 0.3144874093914712
Energy: 0.3075210367079771
Energy: 0.309248681483517
Energy: 0.38267497175977705
Energy: 0.307546647083854
Energy: 0.307850148753716
Energy: 0.3157542613216098
Energy: 0.315873275061754
Energy: 0.30782586546876084
Energy: 0.3519899414516366
Energy: 0.32757123567911983
Energy: 0.3429644352863557
Energy: 0.3074759370389871
Energy: 0.3074048971159193
Energy: 0.3234091460961547
Energy: 0.3080913601506634
Energy: 0.32804455691157985
Energy: 0.3966592893627297
Energy: 0.3078687727912624
Energy: 0.3075145973660902
Energy: 0.3975717617770755
Energy: 0.31044661962294506
Energy: 0.30746366619423293
Energy: 0.3991021925370871
Energy: 0.3092796511070832
Energy: 0.3581682088352506
Energy: 0.3425443746184934
Energy: 0.3093544263604471
Energy: 0.35772402330153125
Energy: 0.33479845151386584
Energy: 0.3142834113530769
Energy: 0.3274001049381925
Energy: 0.3354999376728144
Energy: 0.35333121737453044
Energy: 0.333980423505586
Energy: 0.33428655949021024
Energy: 0.39722169312539657
Energy: 0.40738914695050266
Energy: 0.3343662345015022
Energy: 0.3719340809576888
Energy: 0.3369758454598681
Energy: 0.41197038014243886
Energy: 0.3424906595873397
Energy: 0.36823680526930797
Energy: 0.3355848830146095
Energy: 0.41305172902077786
Energy: 0.33582525517622386
Energy: 0.4232833845756684
Energy: 0.3993347503634283
Energy: 0.4051380644685556
Energy: 0.4238745243292215
Energy: 0.4049379074419429
Energy: 0.33434926030578743
Energy: 0.4230142409721565
Energy: 0.4004473577683367
Energy: 0.40510607366017576
Energy: 0.40051837930419437
Energy: 0.4048631244355587
Energy: 0.33401878401758234
Energy: 0.3947647168672567
Energy: 0.40647064681241957
Energy: 0.368033936510392
Energy: 0.3417485533079045
Energy: 0.39962938222192335
Energy: 0.36897316677419767
Energy: 0.5018642774747247
Energy: 0.35337640377867197
Energy: 0.3897184952594147
Energy: 0.5052402437563555
Energy: 0.3451802573991296
Energy: 0.45848238654785484
Energy: 0.48864449077356326
Energy: 0.40078291916085973
Energy: 0.38352678742873586
Energy: 0.3998411635865979
Energy: 0.4029303306646314
Energy: 0.36625462884149584
Energy: 0.43002764571059704
Energy: 0.4053153059856799
Energy: 0.45026901541424713
Energy: 0.36625564565609325
Energy: 0.4032575425808863
Energy: 0.3554673843041636
Energy: 0.4316737638975778
Energy: 0.39977403985116094
Energy: 0.399249640254733
Energy: 0.432460394441298
Energy: 0.40302227653929623
Energy: 0.41610276229485105
Energy: 0.5078888537035153
Energy: 0.3486578735991123
Energy: 0.3707159717433263
Energy: 0.40134538949954857
Energy: 0.43436415516333693
Energy: 0.39918383362390947
Energy: 0.39959432421456825
Energy: 0.31367909495849966
Energy: 0.3554854911400085
Energy: 0.40376482759649157
Energy: 0.3141292418022167
Energy: 0.3552086183963126
Energy: 0.34174332987095485
Energy: 0.3361316521094455
Energy: 0.33615863849216326
Energy: 0.3416918553382204
Energy: 0.33543880414569005
Energy: 0.3660913231381218
Energy: 0.4174200565614184
Energy: 0.33606852682314786
Energy: 0.33491974406958447
Energy: 0.31422512041809714
Energy: 0.35535473701955705
Energy: 0.3144174780640148
Energy: 0.41590339932311204
Energy: 0.3381227457389724
Energy: 0.33447876123791204
Energy: 0.4176441614397162
Energy: 0.3365446064663256
Energy: 0.33466953029281854
Energy: 0.3545216127368258
Energy: 0.34415528197566286
Energy: 0.3356741715449921
Energy: 0.309526375786586
Energy: 0.3145847396074619
Energy: 0.3092763488133643
Energy: 0.3078909780252363
Energy: 0.3015323721771938
Energy: 0.3074053723141507
Energy: 0.3077168961509491
Energy: 0.30133105244557506
Energy: 0.30743910199726926
Energy: 0.31006215171603424
Energy: 0.3090590940013185
Energy: 0.3080283270428747
Energy: 0.3104924985433771
Energy: 0.3278228379156944
Energy: 0.3083774213195836
Energy: 0.30908300057649235
Energy: 0.3164121928979771
Energy: 0.31677784200674386
Energy: 0.3102402714866226
Energy: 0.32790434505705707
Energy: 0.3915563471001434
Energy: 0.3981404577983501
Energy: 0.31041361697215725
Energy: 0.307830618395311
Energy: 0.38231014712668193
Energy: 0.309759968567466
Energy: 0.30738033913221047
Energy: 0.3389607679117386
Energy: 0.33560097199770117
Energy: 0.4036187999873925
Energy: 0.400285576175842
Energy: 0.3073565342004127
Energy: 0.4055721958568194
Energy: 0.3375523379703642
Energy: 0.34991303822573067
Energy: 0.32692364086288783
Energy: 0.3381990550542464
Energy: 0.31715914822695296
Energy: 0.341355643475192
Energy: 0.34058944028858146
Energy: 0.30741929490260056
Energy: 0.3344992290128479
Energy: 0.33458155841749954
Energy: 0.30805540857085123
Energy: 0.33471217123444164
Energy: 0.3353492414542973
Energy: 0.3660810330270328
Energy: 0.3350830022956049
Energy: 0.33894173260296734
Energy: 0.4097338740791188
Energy: 0.33484135566053624
Energy: 0.42532389553582944
Energy: 0.3849272081129075
Energy: 0.3705414890806495
Energy: 0.4007970059361512
Energy: 0.40146095658980746
Energy: 0.3922077552620582
Energy: 0.4441433899027847
Energy: 0.40712417863578565
Energy: 0.3352938203988331
Energy: 0.33523765537344
Energy: 0.44781633391856207
Energy: 0.3362149477713646
Energy: 0.3951661501578557
Energy: 0.40249200957842907
Energy: 0.39932567419210313
Energy: 0.3405804905594885
Energy: 0.40094451942256526
Energy: 0.3669841064716318
Energy: 0.42372481690642866
Energy: 0.3342030510875697
Energy: 0.4107112655605182
Energy: 0.39972271407352394
Energy: 0.3349426205520929
Energy: 0.4057751219750496
Energy: 0.5076511062576051
Energy: 0.37256386058618685
Energy: 0.3704610002579566
Energy: 0.4017553491662627
Energy: 0.40086006939599444
Energy: 0.3990080010843776
Energy: 0.43239541798484926
Energy: 0.3996531279819835
Energy: 0.39961672899888445
Energy: 0.43294331673367464
Energy: 0.40252561256857233
Energy: 0.41531504962188803

minimum gb energy = 0.30133105244557506 eV
minimum distance =  2.6423398136967 Angstroms
sigma value = 57


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

Energy: 0.3759039818708749
Energy: 0.5102049888910376
Energy: 0.38161245537024635
Energy: 0.4056164822292943
Energy: 0.5073015455513761
Energy: 0.4539380918123463
Energy: 0.42915356157011636
Energy: 0.364694559946137
Energy: 0.3708587919023001
Energy: 0.3450498087293998
Energy: 0.3484472913705804
Energy: 0.370538226393342
Energy: 0.4867916309699523
Energy: 0.31814806991125505
Energy: 0.3178182228628699
Energy: 0.3969966041816151
Energy: 0.32072308777514624
Energy: 0.3597660400620702
Energy: 0.34689524541606037
Energy: 0.31773748245938294
Energy: 0.3606396683267324
Energy: 0.3455013301038613
Energy: 0.3812072531148431
Energy: 0.35919676590735744
Energy: 0.3815291532020038
Energy: 0.3431627820422185
Energy: 0.3441205354821598
Energy: 0.3822635705510663
Energy: 0.34054275286849095
Energy: 0.33838783132478695
Energy: 0.344156882205464
Energy: 0.3466583062014683
Energy: 0.32116772113718267
Energy: 0.3381283546188014
Energy: 0.33894964651443094
Energy: 0.3191494595016287
Energy: 0.39662490615459767
Energy: 0.3417214739773151
Energy: 0.34115359603226236
Energy: 0.35265571499034987
Energy: 0.3405339544672265
Energy: 0.36702309221355073
Energy: 0.3069741726273385
Energy: 0.2972546524254416
Energy: 0.2973856100081047
Energy: 0.33413269539094664
Energy: 0.29720485166333127
Energy: 0.30770427853430876
Energy: 0.30927245098331724
Energy: 0.30972998060754414
Energy: 0.30745432923417915
Energy: 0.3101927561786476
Energy: 0.3532018569795621
Energy: 0.30724577980236495
Energy: 0.33315574322380354
Energy: 0.29775821669707514
Energy: 0.3166952139708133
Energy: 0.33134139599235546
Energy: 0.31301251444839084
Energy: 0.33621035705413327
Energy: 0.3588936576749174
Energy: 0.29356361175782564
Energy: 0.29376538031139904
Energy: 0.32775808672944856
Energy: 0.30271018780831727
Energy: 0.29377204550393704
Energy: 0.3527715118023996
Energy: 0.29915334150078976
Energy: 0.30119958969307237
Energy: 0.3530357647036927
Energy: 0.2984084262150609
Energy: 0.29399881361622987
Energy: 0.294755367993903
Energy: 0.3290864654746957
Energy: 0.3154337379354191
Energy: 0.29380994057198495
Energy: 0.32883681287685307
Energy: 0.3155226944884561
Energy: 0.29384654435973667
Energy: 0.34525867548169886
Energy: 0.29379313886456004
Energy: 0.2949691610526512
Energy: 0.3519320282171513
Energy: 0.29363777430482985
Energy: 0.29404658343995455
Energy: 0.3791596257241202
Energy: 0.3766862752452665
Energy: 0.29364921924134324
Energy: 0.3216983229008513
Energy: 0.3195077109869842
Energy: 0.37326083453615677
Energy: 0.31504542889941195
Energy: 0.3211745771357352
Energy: 0.31010717459815734
Energy: 0.31313071930228964
Energy: 0.33660603243587195
Energy: 0.37949012375393165
Energy: 0.3138694305309835
Energy: 0.3073188879459301
Energy: 0.3426069150919703
Energy: 0.31261138051504306
Energy: 0.3079644190132191
Energy: 0.3685816311146664
Energy: 0.3143954168366663
Energy: 0.3163726223564172
Energy: 0.36931341773669674
Energy: 0.31276268650525696
Energy: 0.30808062457378893
Energy: 0.3388624794473917
Energy: 0.31545242907276105
Energy: 0.32977234761694263
Energy: 0.339898908287495
Energy: 0.39534137777449097
Energy: 0.33817311371159464
Energy: 0.3386371892410454
Energy: 0.3384285714056902
Energy: 0.4001625139111288
Energy: 0.3388571969268739
Energy: 0.3356557929468093
Energy: 0.4297154963863
Energy: 0.4477791542419532
Energy: 0.38176792076286387
Energy: 0.38721040844446747
Energy: 0.33974464578426067
Energy: 0.3976963529025261
Energy: 0.34170653678085305
Energy: 0.39464292625891145
Energy: 0.39908076656046343
Energy: 0.3391129013167022
Energy: 0.30755182332278336
Energy: 0.39662572215239267
Energy: 0.3447572103392507
Energy: 0.3984822931227285
Energy: 0.3959350524498178
Energy: 0.39655081878403986
Energy: 0.39886533860312684
Energy: 0.4022201265662713
Energy: 0.3984641531246225
Energy: 0.4472684515304882
Energy: 0.3422823249215869
Energy: 0.3730289810598783
Energy: 0.3465616716880783
Energy: 0.39620964684424925
Energy: 0.36747748217853704
Energy: 0.4009354133265962
Energy: 0.3454090836707353
Energy: 0.34464101578702144
Energy: 0.4026583234027998
Energy: 0.3445818414434973
Energy: 0.4019928466092467
Energy: 0.48078157061953597
Energy: 0.40343540566992203
Energy: 0.3855076294816862
Energy: 0.38235933554895907
Energy: 0.40201682133869343
Energy: 0.36955207822763003
Energy: 0.3930046338943779
Energy: 0.4040229472197487
Energy: 0.3660620160334216
Energy: 0.3185048433779594
Energy: 0.4026394762471223
Energy: 0.3661940831131065

minimum gb energy = 0.29356361175782564 eV
minimum distance =  2.63032653692816 Angstroms
sigma value = 43


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

Energy: 0.34575051622696884
Energy: 0.459163307344566
Energy: 0.41094690309237314
Energy: 0.35724064559682694
Energy: 0.441997956977381
Energy: 0.3777502847521773
Energy: 0.3778018145647595
Energy: 0.32183274138997847
Energy: 0.3219349975311782
Energy: 0.36134048913690336
Energy: 0.3198849781148425
Energy: 0.35416339161094623
Energy: 0.4336829981210424
Energy: 0.2798961696454761
Energy: 0.3014039228452508
Energy: 0.3587023679934671
Energy: 0.3223652384514863
Energy: 0.3017698140370939
Energy: 0.3615597017435444
Energy: 0.30137868836288906
Energy: 0.3015346910676859
Energy: 0.32111894151386583
Energy: 0.3521120907506131
Energy: 0.3424595953804296
Energy: 0.3410814987858178
Energy: 0.3193452837138392
Energy: 0.3194064358918626
Energy: 0.3412452833279002
Energy: 0.32116314697836323
Energy: 0.3258303130967652
Energy: 0.33808302997274
Energy: 0.3279892715950395
Energy: 0.30208931357558944
Energy: 0.3133022704327354
Energy: 0.3274046335383173
Energy: 0.2801038216671307
Energy: 0.3513599488578801
Energy: 0.31787618362313863
Energy: 0.320426862071738
Energy: 0.3283226952043743
Energy: 0.32960925180608225
Energy: 0.3170259796526184
Energy: 0.29140183026304095
Energy: 0.26688815315256
Energy: 0.2803095027946509
Energy: 0.29315786482097184
Energy: 0.2668526821946604
Energy: 0.2800761626329597
Energy: 0.2925781869420326
Energy: 0.28026572519718396
Energy: 0.2911683504530893
Energy: 0.2933794244369491
Energy: 0.3274534636575961
Energy: 0.29074762628848194
Energy: 0.31088427719365025
Energy: 0.27481463102784554
Energy: 0.2752010792661425
Energy: 0.3066827248979123
Energy: 0.27605540842272086
Energy: 0.2749052705057481
Energy: 0.31877084855731536
Energy: 0.2734774880789336
Energy: 0.27355576867087117
Energy: 0.2938827882539086
Energy: 0.2733274377305875
Energy: 0.2676444233031806
Energy: 0.3210424976087996
Energy: 0.27343990540772384
Energy: 0.27424073474685134
Energy: 0.3127312195565382
Energy: 0.27387176922119116
Energy: 0.2860066807914727
Energy: 0.26353443501471396
Energy: 0.30330387280729015
Energy: 0.3163354438186487
Energy: 0.2643801048300029
Energy: 0.2940783369252186
Energy: 0.31646664813051967
Energy: 0.26371298558013806
Energy: 0.27596575598812867
Energy: 0.263047221236894
Energy: 0.2646142038253444
Energy: 0.30527376361803094
Energy: 0.2631178581469757
Energy: 0.28593003859011323
Energy: 0.2596404494886108
Energy: 0.25932913589346035
Energy: 0.2638709451024395
Energy: 0.25935699874809576
Energy: 0.2598360785973777
Energy: 0.3203675249163982
Energy: 0.2582690262465697
Energy: 0.2582936003899797
Energy: 0.2948271586576559
Energy: 0.25828295594458733
Energy: 0.25872329472516975
Energy: 0.31423439216247184
Energy: 0.25833917224489594
Energy: 0.2583953534205636
Energy: 0.3029555756705114
Energy: 0.25849381355710027
Energy: 0.25875807700059034
Energy: 0.2589178089681948
Energy: 0.25941467313725985
Energy: 0.2717200872010755
Energy: 0.25845121501195234
Energy: 0.2602236208253895
Energy: 0.2728169865672137
Energy: 0.25846894404694
Energy: 0.2586157642422968
Energy: 0.2584066594870033
Energy: 0.25943331066376146
Energy: 0.30126872170469365
Energy: 0.25829663896237076
Energy: 0.2585856844755831
Energy: 0.2932580957202065
Energy: 0.2894056622023255
Energy: 0.2583398998292552
Energy: 0.26391671269414324
Energy: 0.2901091161531438
Energy: 0.3104421275252605
Energy: 0.26312489186551824
Energy: 0.2632782888817689
Energy: 0.3053700487547965
Energy: 0.26328680917674224
Energy: 0.26365647274293885
Energy: 0.3211420178486466
Energy: 0.2631363445991225
Energy: 0.2630425100928364
Energy: 0.32102931152436515
Energy: 0.26313457433920157
Energy: 0.2632838255839295
Energy: 0.3030592312126555
Energy: 0.26487926086304214
Energy: 0.2645169985006292
Energy: 0.2741412906502126
Energy: 0.2649934824637207
Energy: 0.26453261825012947
Energy: 0.2740024860139949
Energy: 0.26488728683380885
Energy: 0.27327836400174155
Energy: 0.27475785813327364
Energy: 0.3141696306857504
Energy: 0.2733759035273435
Energy: 0.2735872380981047
Energy: 0.29262146752611207
Energy: 0.3002416240899657
Energy: 0.2748191544181808
Energy: 0.2991249465888147
Energy: 0.30285625665512655
Energy: 0.3254084871383372
Energy: 0.29085703402301893
Energy: 0.2987779651415895
Energy: 0.3003729181341868
Energy: 0.29129621808154127
Energy: 0.3389632352530118
Energy: 0.32816930426763224
Energy: 0.29506221909251384
Energy: 0.2940309965915199
Energy: 0.3019062658909872
Energy: 0.29136448995597536
Energy: 0.27344050798924724
Energy: 0.3321889840691589
Energy: 0.2909869457192868
Energy: 0.291194984226413
Energy: 0.32904230355780417
Energy: 0.29335712744445064
Energy: 0.29129217731781454
Energy: 0.3213062851444761
Energy: 0.29074716882235563
Energy: 0.32302972447103667
Energy: 0.32212416966074275
Energy: 0.3343643005388741
Energy: 0.32226015875821873
Energy: 0.3203707893682087
Energy: 0.27323156005258553
Energy: 0.2907845144564552
Energy: 0.32244454588450316
Energy: 0.2733408299237347
Energy: 0.2908236951529829
Energy: 0.3847362314719599
Energy: 0.3185191745029126
Energy: 0.36424886795697176
Energy: 0.32025629646763726
Energy: 0.33840013598258745
Energy: 0.3196273655431455
Energy: 0.34125114435619797
Energy: 0.35798695892934357
Energy: 0.32168760095731747
Energy: 0.3108992146110146
Energy: 0.36607050592372953
Energy: 0.2909562398320165
Energy: 0.3526705201308717
Energy: 0.366116028465455
Energy: 0.36299564784489435
Energy: 0.35276318226491804
Energy: 0.35550683731290816
Energy: 0.34928554624039754
Energy: 0.4049718103222307
Energy: 0.32179613603542884
Energy: 0.32174643223035604
Energy: 0.32111692300690076
Energy: 0.31941608013634837
Energy: 0.36468077448852115
Energy: 0.43361620895043707
Energy: 0.29081268096707447
Energy: 0.32185123597138743
Energy: 0.3596655405148891
Energy: 0.3242211895381836
Energy: 0.32189809869543307
Energy: 0.40271161005343625
Energy: 0.35524722917168705
Energy: 0.357082438526092
Energy: 0.3604700071774266
Energy: 0.3693848412581895
Energy: 0.3463228294287425

minimum gb energy = 0.2582690262465697 eV
minimum distance =  2.63168874005708 Angstroms
sigma value = 81


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

Energy: 0.06434632454752301
Energy: 0.12018103209816458
Energy: 0.06546196668292352
Energy: 0.06604373809588562
Energy: 0.07003904006275634
Energy: 0.06479512620973768
Energy: 0.08949251568480265
Energy: 0.0682599424039544
Energy: 0.06840359843391498
Energy: 0.08949141320162439
Energy: 0.07116118064822347
Energy: 0.06999847753818568
Energy: 0.06857436127296831
Energy: 0.06466750541423699
Energy: 0.06618133379492158
Energy: 0.08979747766258561
Energy: 0.06464351920249004
Energy: 0.06498213993774639
Energy: 0.07063983591461537
Energy: 0.06477200015060779
Energy: 0.06560029104446082
Energy: 0.0700018436270991
Energy: 0.06479872185070203
Energy: 0.08667541084074694
Energy: 0.08593101735892889
Energy: 0.06917204566055235
Energy: 0.08940001448247388
Energy: 0.08578906146558377
Energy: 0.07012178512068205
Energy: 0.08883058597912011
Energy: 0.06486890406890564
Energy: 0.06967665182081306
Energy: 0.06490248488950705
Energy: 0.06628002836426665
Energy: 0.06920475615172059
Energy: 0.06464418805052156
Energy: 0.09696728400006176
Energy: 0.0683524018565515
Energy: 0.06908434927116143
Energy: 0.08967712045967606
Energy: 0.0692433533785975
Energy: 0.0695309799507748
Energy: 0.09552575960632036
Energy: 0.06478176447112367
Energy: 0.06546714049526337
Energy: 0.08970072986436597
Energy: 0.06462515661359625
Energy: 0.06504224605578113
Energy: 0.06896034571242915
Energy: 0.06475744425207439
Energy: 0.06520227302661968
Energy: 0.06998815991268141
Energy: 0.06471319675289403
Energy: 0.08616983663977808
Energy: 0.06473689528484243
Energy: 0.10775579291632617
Energy: 0.10859116287945525
Energy: 0.06598032953358526
Energy: 0.08815375440028755
Energy: 0.1066103555868978

minimum gb energy = 0.06434632454752301 eV
minimum distance =  2.74679463104036 Angstroms
sigma value = 3


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

Energy: 0.33819936533391526
Energy: 0.39942678522598507
Energy: 0.3410550301025064
Energy: 0.3144111403421822
Energy: 0.41251820620645274
Energy: 0.31281024052328926
Energy: 0.3996756906181378
Energy: 0.35177486208172165
Energy: 0.3530545648303851
Energy: 0.35429998756635306
Energy: 0.3543145063302918
Energy: 0.3652384926534311
Energy: 0.3664975340225778
Energy: 0.32849046395058973
Energy: 0.3286306528989189
Energy: 0.3517514399224542
Energy: 0.32858922345067265
Energy: 0.3755442325282619
Energy: 0.3229300981240107
Energy: 0.32859535280577623
Energy: 0.3286621573390799
Energy: 0.32218021385264534
Energy: 0.3397514480776066
Energy: 0.38332445324399506
Energy: 0.2886216024193899
Energy: 0.3696869526376384
Energy: 0.3681845404488605
Energy: 0.28861984014328046
Energy: 0.3722168752217892
Energy: 0.3768478792295649
Energy: 0.2662147829015999
Energy: 0.3499432599706808
Energy: 0.34616720469258583
Energy: 0.30454701350672236
Energy: 0.3214072936910423
Energy: 0.31645489148032513
Energy: 0.3697974341769442
Energy: 0.2898449900527101
Energy: 0.2904702179148468
Energy: 0.3329520234395815
Energy: 0.2898761836520338
Energy: 0.3354425916889729
Energy: 0.319567406045693
Energy: 0.30361807883292613
Energy: 0.30343458279011043
Energy: 0.3195092807866446
Energy: 0.28755558755806127
Energy: 0.3139401981649208
Energy: 0.36276112091225404
Energy: 0.3143089184219242
Energy: 0.3299582346134498
Energy: 0.3618467704619298
Energy: 0.26722516177613836
Energy: 0.36209970271876113
Energy: 0.2671817216596809
Energy: 0.2900906793698174
Energy: 0.29012011543658894
Energy: 0.26725749372749086
Energy: 0.2929809831046671
Energy: 0.2683298499174941
Energy: 0.2525462256862388
Energy: 0.2921795603481047
Energy: 0.26741078211688657
Energy: 0.289446088762105
Energy: 0.2913195411320241
Energy: 0.28795304419608003
Energy: 0.26723977586865527
Energy: 0.323533059583353
Energy: 0.2678693219766411
Energy: 0.267312107389433
Energy: 0.33564438474819647
Energy: 0.26832784761213435
Energy: 0.26742336614859397
Energy: 0.2806295793198344
Energy: 0.2881852700109368
Energy: 0.2676210034106192
Energy: 0.2813434918175288
Energy: 0.2681008472686354
Energy: 0.338073398746278
Energy: 0.2532622861855529
Energy: 0.28896510088288846
Energy: 0.30328716632297603
Energy: 0.2527795972798454
Energy: 0.31595246963914264
Energy: 0.24568465668341244
Energy: 0.252983324344335
Energy: 0.25270227615044705
Energy: 0.2804899877595693
Energy: 0.2547654543836708
Energy: 0.25285410985762924
Energy: 0.24571337327563572
Energy: 0.28703824701628006
Energy: 0.2532832184069131
Energy: 0.28227745990748965
Energy: 0.2969787490454226
Energy: 0.28107430759850743
Energy: 0.24878575821245216
Energy: 0.2869327258688355
Energy: 0.24617638261195282
Energy: 0.24943022595792932
Energy: 0.28760031499095584
Energy: 0.24607718015544428
Energy: 0.24565872123520724
Energy: 0.2805530333293103
Energy: 0.2462972363657357
Energy: 0.24575120871531175
Energy: 0.28245063552933897
Energy: 0.24619897369653118
Energy: 0.24650290837868627
Energy: 0.24625079185435272
Energy: 0.2463434858467631
Energy: 0.2818482026048413
Energy: 0.2458609152587504
Energy: 0.28100355501539326
Energy: 0.24574930119518476
Energy: 0.24587470255472357
Energy: 0.24578931208929902
Energy: 0.3378500289580906
Energy: 0.2481656186393674
Energy: 0.24584143574690467
Energy: 0.2532068866594995
Energy: 0.28083021728178464
Energy: 0.2807369904709616
Energy: 0.2995076669888698
Energy: 0.29047653861169664
Energy: 0.283702016730665
Energy: 0.2549803586401889
Energy: 0.28063260727274786
Energy: 0.2645627862948578
Energy: 0.25556910724803233
Energy: 0.28078484305452955
Energy: 0.2529913748262859
Energy: 0.25278526529462436
Energy: 0.3280201626917149
Energy: 0.2534974126904648
Energy: 0.252806826269109
Energy: 0.30255440302141545
Energy: 0.2533273256898036
Energy: 0.2469449215685112
Energy: 0.26812195025751506
Energy: 0.26859842710785226
Energy: 0.28408677641268415
Energy: 0.2677058423475118
Energy: 0.27134997305973413
Energy: 0.2531200293574255
Energy: 0.2673396588215799
Energy: 0.26731864209293976
Energy: 0.2540320324559125
Energy: 0.2709311281053133
Energy: 0.2678397351275832
Energy: 0.28964949540531243
Energy: 0.2935607622634645
Energy: 0.29369673608625635
Energy: 0.31473097939270805
Energy: 0.28206943035964804
Energy: 0.26740439757855144
Energy: 0.29252165883947684
Energy: 0.29361871196886724
Energy: 0.27743567364429167
Energy: 0.293198712572693
Energy: 0.3038493577943936
Energy: 0.3192777708440848
Energy: 0.2759899563982567
Energy: 0.3589312626165577
Energy: 0.3631794501188748
Energy: 0.2760412206195704
Energy: 0.36384379362465513
Energy: 0.29062194445154266
Energy: 0.25732948140765916
Energy: 0.32005606019562904
Energy: 0.3065055970393835
Energy: 0.29481002540695367
Energy: 0.31964950396828967
Energy: 0.3031725713921052
Energy: 0.2898950810467743
Energy: 0.3364010523701971
Energy: 0.32260046534111214
Energy: 0.2898272584726168
Energy: 0.33921938857251627
Energy: 0.3218742429337677
Energy: 0.2898606333959809
Energy: 0.31291931523984307
Energy: 0.3129760444746618
Energy: 0.2904519159044644
Energy: 0.2926022027487117
Energy: 0.3256049326842345
Energy: 0.3670063153801446
Energy: 0.32450968339446457
Energy: 0.34577598953074906
Energy: 0.3550665549778922
Energy: 0.2763142808128185
Energy: 0.36670545037483204
Energy: 0.30090315650130656
Energy: 0.3190586648809078
Energy: 0.31896566422817557
Energy: 0.3009257540547066
Energy: 0.321632812009437
Energy: 0.3354050805424983

minimum gb energy = 0.24565872123520724 eV
minimum distance =  2.66165789854657 Angstroms
sigma value = 67


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

Energy: 0.598588108218022
Energy: 0.5029152709664447
Energy: 0.3884780605170241
Energy: 0.3480386093142291
Energy: 0.4727265518221768
Energy: 0.3880230195808571
Energy: 0.46342906442112447
Energy: 0.4071560888346431
Energy: 0.4310033206536655
Energy: 0.40851626981603817
Energy: 0.40476937528407936
Energy: 0.3659226968221041
Energy: 0.4157246936046573
Energy: 0.37087545026567353
Energy: 0.4134083125045903
Energy: 0.4166983159558932
Energy: 0.3680846121716577
Energy: 0.4180117518062952
Energy: 0.4040144197835486
Energy: 0.4208302455005761
Energy: 0.41353238572476847
Energy: 0.4041239166986187
Energy: 0.380305478452352
Energy: 0.41747762501514174
Energy: 0.3564508130051891
Energy: 0.4285948526253394
Energy: 0.39611168500634836
Energy: 0.3563689148923235
Energy: 0.40492457530591
Energy: 0.4478631730385558
Energy: 0.2947733397033551
Energy: 0.39456210633948385
Energy: 0.37713384115821513
Energy: 0.3653859883751584
Energy: 0.4126045370626112
Energy: 0.3642926092505637
Energy: 0.36257830711342154
Energy: 0.34934161268919245
Energy: 0.34566221030387045
Energy: 0.36182223616237935
Energy: 0.37740759981020827
Energy: 0.3457552670202709
Energy: 0.3632356721210524
Energy: 0.34636368512437493
Energy: 0.3503061924233135
Energy: 0.3597185728881076
Energy: 0.34380358056971166
Energy: 0.34380266566835943
Energy: 0.3896444547235501
Energy: 0.39493453642385445
Energy: 0.3722839183172817
Energy: 0.40253287291740475
Energy: 0.3151032189736573
Energy: 0.34256293846746405
Energy: 0.2949759763020355
Energy: 0.31855260422750103
Energy: 0.3154279127146834
Energy: 0.3329374287835371
Energy: 0.31758702041381365
Energy: 0.3127375845519667
Energy: 0.29524376273525993
Energy: 0.3792193016439592
Energy: 0.32750738922317524
Energy: 0.3431641357438036
Energy: 0.31544295373914366
Energy: 0.3222410869890485
Energy: 0.29871550452439277
Energy: 0.33569136479678935
Energy: 0.2949559603557173
Energy: 0.29937036002357376
Energy: 0.36093983281800585
Energy: 0.295029036861544
Energy: 0.29923282884403335
Energy: 0.344392501025285
Energy: 0.2952169756006123
Energy: 0.2999066627806955
Energy: 0.3415888669933351
Energy: 0.29500493983955145
Energy: 0.2964955684072738
Energy: 0.332867465960935
Energy: 0.3526912234368155
Energy: 0.3413250214794518
Energy: 0.29483003994591944
Energy: 0.32312059197731835
Energy: 0.3481440808544131
Energy: 0.29811158173949853
Energy: 0.3017533703616667
Energy: 0.31830612486531346
Energy: 0.2976320288704219
Energy: 0.2950547364482999
Energy: 0.3148585771383498
Energy: 0.36140132739761555
Energy: 0.3410808592056744
Energy: 0.3619972321264921
Energy: 0.3340765768979701
Energy: 0.3290546111620999
Energy: 0.3199781723440145
Energy: 0.340487907264605
Energy: 0.34436272282400404
Energy: 0.3179995690655255
Energy: 0.3384442720425689
Energy: 0.3123166103258471
Energy: 0.3162296632579341
Energy: 0.31883976419447796
Energy: 0.31514106648768436
Energy: 0.3161670401227409
Energy: 0.39713167407022476
Energy: 0.3153268271787212
Energy: 0.2899175047923095
Energy: 0.3411112122170192
Energy: 0.34096312492635605
Energy: 0.34808634483808276
Energy: 0.3625785616735281
Energy: 0.3473741528574938
Energy: 0.3158846539846005
Energy: 0.3822440353459168
Energy: 0.3822906586018505
Energy: 0.31583205169189227
Energy: 0.35752435754443584
Energy: 0.3836191766453646
Energy: 0.4299994266874476
Energy: 0.3825952189158863
Energy: 0.38149496647016445
Energy: 0.4292785440612761
Energy: 0.3635815623887808
Energy: 0.3812229720486668
Energy: 0.4154409888578927
Energy: 0.35361138254604824
Energy: 0.38155656921672076
Energy: 0.4168513280132628
Energy: 0.3512208335933144
Energy: 0.38112624234238324
Energy: 0.3791704083467119
Energy: 0.35942592406557206
Energy: 0.38475111758432645
Energy: 0.4043986017331697
Energy: 0.35917548497742424
Energy: 0.3763361865532928

minimum gb energy = 0.2899175047923095 eV
minimum distance =  2.6459111091354 Angstroms
sigma value = 33


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

Energy: 0.6584817766002021
Energy: 0.4446101285402064
Energy: 0.33656808384083864
Energy: 0.39885443734485126
Energy: 0.5086369275351988
Energy: 0.4045478792621357
Energy: 0.4296333246150242
Energy: 0.425056500774122
Energy: 0.40950246352409814
Energy: 0.42518248496443684
Energy: 0.42626530118361655
Energy: 0.37704991923838344
Energy: 0.4350294275666036
Energy: 0.4324441152937922
Energy: 0.4323468600318271
Energy: 0.4355140935686729
Energy: 0.4329718782233958
Energy: 0.40276278885708433
Energy: 0.4271406948949107
Energy: 0.43313332148065936
Energy: 0.432274434958236
Energy: 0.42748538044373063
Energy: 0.4505880106523508
Energy: 0.4465884975366237
Energy: 0.36662665737697125
Energy: 0.4090528988724968
Energy: 0.4091910884338666
Energy: 0.36641539528997297
Energy: 0.42651868716226404
Energy: 0.4153443151914689
Energy: 0.32541914866031285
Energy: 0.35058698238442987
Energy: 0.403816556429227
Energy: 0.38607490396403255
Energy: 0.40221885449169975
Energy: 0.35881407130000675
Energy: 0.36678707109758024
Energy: 0.41100927738425663
Energy: 0.348849479594899
Energy: 0.3664477892866579
Energy: 0.44659225892863147
Energy: 0.34877101846377717
Energy: 0.36982589949449174
Energy: 0.39104014028094247
Energy: 0.3584041564789695
Energy: 0.37045360339265254
Energy: 0.38806789441218154
Energy: 0.3498409524748217
Energy: 0.40622318629104376
Energy: 0.40747439839055893
Energy: 0.3950179621345526
Energy: 0.41894835803199587
Energy: 0.32597911353909415
Energy: 0.38448318529188646
Energy: 0.40064947692840475
Energy: 0.32988169626489466
Energy: 0.3257845426027002
Energy: 0.3824670099855298
Energy: 0.32680503285109264
Energy: 0.3257220057161416
Energy: 0.32585578891825095
Energy: 0.3259106443684097
Energy: 0.38188850690903564
Energy: 0.38319319635633076
Energy: 0.32539634091753833
Energy: 0.34773176044570864
Energy: 0.32988057734763004
Energy: 0.3765802713588333
Energy: 0.3302306569239123
Energy: 0.3306077606443182
Energy: 0.3913054346820073
Energy: 0.3259815875668823
Energy: 0.326269826213202
Energy: 0.32649803485209117
Energy: 0.3254218947352878
Energy: 0.32646644944475245
Energy: 0.41737245435687026
Energy: 0.32572171182177106
Energy: 0.3150837054884436
Energy: 0.3561315848639952
Energy: 0.3545854731585518
Energy: 0.37468822540419133
Energy: 0.369319935989538
Energy: 0.3161014424889046
Energy: 0.3816869413887884
Energy: 0.3498846695076873
Energy: 0.350746555928593
Energy: 0.35731710765338603
Energy: 0.3682533009249076
Energy: 0.3824157767569622
Energy: 0.4407370132188314
Energy: 0.4121811255883284
Energy: 0.39738502444208385
Energy: 0.45004290980054346
Energy: 0.33548624951069195
Energy: 0.4425365314564551
Energy: 0.43451601339041274
Energy: 0.3974391936938393
Energy: 0.3971877043457768
Energy: 0.43489813074015776
Energy: 0.40049637512306213
Energy: 0.3678998153781528
Energy: 0.42949377517527015
Energy: 0.424709547877058
Energy: 0.3632122249222631
Energy: 0.37307294480948794
Energy: 0.42714842738014036
Energy: 0.36266436930367135
Energy: 0.3349675397758024
Energy: 0.3691648076002993
Energy: 0.41580253220002483
Energy: 0.3982797818032061
Energy: 0.4024493769145584
Energy: 0.4123964963681182
Energy: 0.39605433534537915
Energy: 0.42525340787081684
Energy: 0.4097573878439715
Energy: 0.3958502511800754
Energy: 0.4266287394448458
Energy: 0.37608709747420205
Energy: 0.4358407971646973
Energy: 0.4423690618587834
Energy: 0.4323834484568066
Energy: 0.37299948694778345
Energy: 0.4508585360790004
Energy: 0.40816296539669505
Energy: 0.37200132866697416
Energy: 0.43242618964275403
Energy: 0.4323186431078984
Energy: 0.37210946786424043
Energy: 0.4335633315505367
Energy: 0.4323432912828232
Energy: 0.3670301093930404
Energy: 0.40905226753913765
Energy: 0.409429760994341
Energy: 0.36683626769769
Energy: 0.4263661330903101
Energy: 0.41421307238147015
Energy: 0.3250544185401375
Energy: 0.3713879425209948
Energy: 0.3491660524009885
Energy: 0.38660027537706215
Energy: 0.434369068186061
Energy: 0.37455129052729885
Energy: 0.36696413023871494
Energy: 0.4088126400198245
Energy: 0.3680998609879543
Energy: 0.36651820627876897
Energy: 0.44605737663772804
Energy: 0.34940054657324293
Energy: 0.36852682192449476
Energy: 0.38525474336757537
Energy: 0.3593532539383309
Energy: 0.3693120408978996
Energy: 0.3891465735457529
Energy: 0.34913191246147324
Energy: 0.3670931851021735
Energy: 0.3963909061175318
Energy: 0.3590630850917647
Energy: 0.4202260713450308
Energy: 0.40359600201136453
Energy: 0.38520331130242397
Energy: 0.39879770810561804
Energy: 0.330340800215897
Energy: 0.3257008070967819
Energy: 0.39172278101639196
Energy: 0.3273078101271133
Energy: 0.325427573469776
Energy: 0.32588594655209735
Energy: 0.325767900034453
Energy: 0.3263829226634027
Energy: 0.3826348598093772
Energy: 0.3255124965402808
Energy: 0.3599724373388721
Energy: 0.32581012775923895
Energy: 0.3601886588311434
Energy: 0.3259184294127442
Energy: 0.3257888503055287
Energy: 0.39134144362473966
Energy: 0.3259687462390351
Energy: 0.3289377378801872
Energy: 0.3537675931996368
Energy: 0.3262080214472403
Energy: 0.3295625708415106
Energy: 0.37705620104334636
Energy: 0.32601882344158817
Energy: 0.3154235133744296
Energy: 0.35619917002560103
Energy: 0.3551273850282688
Energy: 0.37551580065360773
Energy: 0.3548177515557781
Energy: 0.3162871869152567
Energy: 0.31520066613262837
Energy: 0.3499896007618151
Energy: 0.35035390522957677
Energy: 0.3899888926414151
Energy: 0.3682151807859152
Energy: 0.38165048530229334
Energy: 0.4483055165178599
Energy: 0.3355182083743167
Energy: 0.3503098346263348
Energy: 0.39022490708131535
Energy: 0.33542073481057133
Energy: 0.3876703468057502
Energy: 0.43523492030658
Energy: 0.3973337538433962
Energy: 0.39713368482123623
Energy: 0.43491370612292896
Energy: 0.3744057706815752
Energy: 0.4123802140034121
Energy: 0.4294722795671832
Energy: 0.36651097285108697
Energy: 0.36346291326179925
Energy: 0.3714194312305845
Energy: 0.3667355823106937
Energy: 0.364081942827115
Energy: 0.33491239429598
Energy: 0.41366684500868
Energy: 0.4674433717118158
Energy: 0.3986547171132675
Energy: 0.4030761968821742
Energy: 0.3683463895451141

minimum gb energy = 0.3150837054884436 eV
minimum distance =  2.612166253527 Angstroms
sigma value = 41


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

Energy: 0.596402731167211
Energy: 0.5053463776437404
Energy: 0.4082080006728445
Energy: 0.44139081298983385
Energy: 0.6071503590112264
Energy: 0.5003250579608871
Energy: 0.4619692434261453
Energy: 0.452655715890261
Energy: 0.3785992532644065
Energy: 0.3963519738264983
Energy: 0.45787346688049685
Energy: 0.3791174132887464
Energy: 0.45310200840345244
Energy: 0.4732931457511279
Energy: 0.4313812970835253
Energy: 0.45281835366558093
Energy: 0.4713027828664557
Energy: 0.46631884379436883
Energy: 0.3967057794158346
Energy: 0.4703141198956159
Energy: 0.47033962598924467
Energy: 0.4271820681746526
Energy: 0.3834731505505339
Energy: 0.47218398002679596
Energy: 0.38397133316593407
Energy: 0.4523941777031795
Energy: 0.4626827513250554
Energy: 0.3845010857122664
Energy: 0.38592627628728116
Energy: 0.39854775274770304
Energy: 0.44426715716236764
Energy: 0.4092048324514677
Energy: 0.43190488127928145
Energy: 0.45306892337935983
Energy: 0.3878674186905765
Energy: 0.455545045461396
Energy: 0.383396608327816
Energy: 0.3726935851682334
Energy: 0.37141672447927665
Energy: 0.3839082683718235
Energy: 0.43692707757567456
Energy: 0.37362239133337616
Energy: 0.38371911333675307
Energy: 0.371813586955808
Energy: 0.3715402567818985
Energy: 0.3846077290518751
Energy: 0.4279967956535559
Energy: 0.3841531262567134
Energy: 0.4090657023986989
Energy: 0.39384314816696575
Energy: 0.3793092607680862
Energy: 0.46531644625363544
Energy: 0.39259658834489625
Energy: 0.42681123254189735
Energy: 0.43078382758040057
Energy: 0.38451283380801915
Energy: 0.38691893069992045
Energy: 0.4119197624569464
Energy: 0.3853909969038072
Energy: 0.3872287404652291
Energy: 0.48917823432925456
Energy: 0.3864919214167246
Energy: 0.3899920066558095
Energy: 0.4542314651433633
Energy: 0.359257976159828
Energy: 0.38530737058109743
Energy: 0.45313854156533845
Energy: 0.4455347408454867
Energy: 0.3594496136613771
Energy: 0.4854269950381288
Energy: 0.4409025185244017
Energy: 0.3962461316737387
Energy: 0.46240609755420925
Energy: 0.39687099579904755
Energy: 0.37936610742527566
Energy: 0.39528308965601333
Energy: 0.45327413488240026
Energy: 0.4167549987464034
Energy: 0.3591447653711745
Energy: 0.4698442943743536
Energy: 0.4989205263150679
Energy: 0.4396591592157152
Energy: 0.3849170748296672
Energy: 0.4987876734851284

minimum gb energy = 0.3591447653711745 eV
minimum distance =  2.61079393884274 Angstroms
sigma value = 11


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

Energy: 0.7085273044145085
Energy: 0.48567699026839023
Energy: 0.48940236986348795
Energy: 0.4956291226159626
Energy: 0.5335470107341603
Energy: 0.46231575778744893
Energy: 0.5417654125191018
Energy: 0.44239328726951405
Energy: 0.4425385552525495
Energy: 0.44382705736593797
Energy: 0.4384363743614992
Energy: 0.44518852899429434
Energy: 0.555210752760294
Energy: 0.5096581983705244
Energy: 0.5120244814911271
Energy: 0.5115911318666929
Energy: 0.5093588472344606
Energy: 0.43857896893437803
Energy: 0.4804227615222456
Energy: 0.4712828710487322
Energy: 0.437722549997557
Energy: 0.4530857577233442
Energy: 0.427022368159196
Energy: 0.44229240343743625
Energy: 0.4943719886171521
Energy: 0.43681149845002165
Energy: 0.441177182339118
Energy: 0.45523938262683833
Energy: 0.4319868069113257
Energy: 0.4415390270182498
Energy: 0.4379172060741235
Energy: 0.4376605096733136
Energy: 0.43783870040781886
Energy: 0.44908804534380686
Energy: 0.43969614281267344
Energy: 0.43500619007215896
Energy: 0.4376690445296324
Energy: 0.43895158094153663
Energy: 0.43777214150324645
Energy: 0.4380444135455445
Energy: 0.45037913888057896
Energy: 0.43768177447454415
Energy: 0.4410948201091975
Energy: 0.4463971958449827
Energy: 0.4400073157817507
Energy: 0.4320999734065288
Energy: 0.4466094873300154
Energy: 0.4402047049305507
Energy: 0.421401780111896
Energy: 0.4441374360862858
Energy: 0.44308002128665464
Energy: 0.4819107223448131
Energy: 0.44544297632666696
Energy: 0.4474230070217856
Energy: 0.4349071774623464
Energy: 0.44422303223186327
Energy: 0.4411258439312724
Energy: 0.46227276679470714
Energy: 0.46562016518104893
Energy: 0.45749671288593063
Energy: 0.4351639970183922
Energy: 0.45892151879688614
Energy: 0.44023781139550255
Energy: 0.42973860572024647
Energy: 0.4351729559422672
Energy: 0.4404440946063656
Energy: 0.5615238308407068
Energy: 0.4709395267522182
Energy: 0.48139572698981753
Energy: 0.4770051948088027
Energy: 0.5094222352365132
Energy: 0.47690869860056706
Energy: 0.4374349859164159
Energy: 0.43302118289569597
Energy: 0.4584628748913685
Energy: 0.43697934442744496
Energy: 0.44265758275893247
Energy: 0.4461522461385918
Energy: 0.4222609393602479
Energy: 0.4486278810366841
Energy: 0.4521061702901508
Energy: 0.46490749051592084
Energy: 0.5091698112858652
Energy: 0.45173416830474794
Energy: 0.4263951976616758
Energy: 0.4293030491698446
Energy: 0.44445602977834014
Energy: 0.42845545228846543
Energy: 0.4291272755435966
Energy: 0.464198983728047
Energy: 0.43304293328172255
Energy: 0.42671820114445186
Energy: 0.4283558787498449
Energy: 0.429360739480887
Energy: 0.4277826467884914
Energy: 0.42629087397426174
Energy: 0.42836733114083586
Energy: 0.4369464621177597
Energy: 0.45793715408123
Energy: 0.4239095033591336
Energy: 0.4367268868085662
Energy: 0.42827498502874534
Energy: 0.5763197821696531
Energy: 0.4412624780489324
Energy: 0.44107800321883184
Energy: 0.4468812658583713
Energy: 0.4677017211616088
Energy: 0.4384936498706166
Energy: 0.46285673215286416
Energy: 0.44378149467104
Energy: 0.44394068338636905
Energy: 0.46162985618161667
Energy: 0.4421041002087818
Energy: 0.4724814842351791
Energy: 0.5422951551682625
Energy: 0.5367062307655324
Energy: 0.4891892556931463
Energy: 0.5149840977069742
Energy: 0.5354921554894377
Energy: 0.43136069234275226
Energy: 0.47321502012841754
Energy: 0.45739577710244417
Energy: 0.48192320799426946
Energy: 0.4486480475809652
Energy: 0.43164791023003296
Energy: 0.4459187724429241
Energy: 0.4537740764651924
Energy: 0.43972432862658284
Energy: 0.441034165934529
Energy: 0.4359843002992999
Energy: 0.44287173514875505
Energy: 0.446358531818351
Energy: 0.42212859691625476
Energy: 0.466622932025459
Energy: 0.45761777587215685
Energy: 0.5081381122487909
Energy: 0.4377078617022447
Energy: 0.47782643099927447
Energy: 0.48754332118430704
Energy: 0.4544210201799576
Energy: 0.45813913921747124
Energy: 0.44256832547337066
Energy: 0.45710762088684026
Energy: 0.4549877793440264
Energy: 0.4729073720852758
Energy: 0.44476899296982986
Energy: 0.4409926518802277
Energy: 0.4665923924735954
Energy: 0.4393221929630384
Energy: 0.4409586340748999
Energy: 0.5096484932449659
Energy: 0.42798375000260735
Energy: 0.4437640237349973
Energy: 0.46604661288417254
Energy: 0.4253118719683713
Energy: 0.4587453288090048
Energy: 0.5268002433320718
Energy: 0.42639839035242877
Energy: 0.42534772405791205
Energy: 0.43641815905279774
Energy: 0.4270212655664077
Energy: 0.4274982359222835
Energy: 0.5013237781828329
Energy: 0.4286467348637095
Energy: 0.44562832143939984
Energy: 0.4292538119667315
Energy: 0.4278563254880566
Energy: 0.45351596432836777
Energy: 0.5367623443641002
Energy: 0.44206201292751157
Energy: 0.4427592594866666
Energy: 0.5081240414764113
Energy: 0.44580690538289364
Energy: 0.4410773219050389
Energy: 0.5429262349422153
Energy: 0.43934395493627465
Energy: 0.4460084065961787
Energy: 0.4433198219235066
Energy: 0.44007769519375695
Energy: 0.4580909603715922
Energy: 0.42258566392748126
Energy: 0.4535639174869252
Energy: 0.48983727848805436
Energy: 0.5355899639579789
Energy: 0.4428108356702936
Energy: 0.4788475259169953

minimum gb energy = 0.421401780111896 eV
minimum distance =  2.66310126767685 Angstroms
sigma value = 57


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

Energy: 0.6220467905873378
Energy: 0.665392638438175
Energy: 0.525204532614692
Energy: 0.5253326088103085
Energy: 0.6633901042562995
Energy: 0.5258400127948128
Energy: 0.5264676810510179
Energy: 0.4445905619385771
Energy: 0.4382140852588361
Energy: 0.43916234618064215
Energy: 0.4484484106049557
Energy: 0.4385469859724071
Energy: 0.47666116259789254
Energy: 0.48343694675862536
Energy: 0.4383451283513849
Energy: 0.4784452178628056
Energy: 0.4828080619520306
Energy: 0.4394695053526283
Energy: 0.47902400214224106
Energy: 0.44531021352322414
Energy: 0.4381362555417442
Energy: 0.4483940506217962
Energy: 0.4823181057794883
Energy: 0.4382069090371338
Energy: 0.4591304725682214
Energy: 0.44587058048586303
Energy: 0.4386547298966888
Energy: 0.4560321340946904
Energy: 0.44828673708421996
Energy: 0.4379674548956521
Energy: 0.4775877553146771
Energy: 0.48183408844383707
Energy: 0.48309919692806164
Energy: 0.43832567013537443
Energy: 0.4780301744000686
Energy: 0.4848913928539352
Energy: 0.4808813884024534
Energy: 0.48918268101637113
Energy: 0.429549547662417
Energy: 0.4784537262245658
Energy: 0.4843459744144115
Energy: 0.48282580794958146
Energy: 0.5258513140769241
Energy: 0.44509475838939155
Energy: 0.4383949634553641
Energy: 0.4492080295727386
Energy: 0.4559619891669826
Energy: 0.43819020890085286
Energy: 0.4239778761879376
Energy: 0.44643876685101735
Energy: 0.42355877357557226
Energy: 0.5293131250289473
Energy: 0.4812443325733238
Energy: 0.4233736937060615
Energy: 0.4236791948897017
Energy: 0.48379862285041886
Energy: 0.4241830758789395
Energy: 0.5289437135786011
Energy: 0.4797205094912256
Energy: 0.4232289110662336
Energy: 0.5257652550317737
Energy: 0.43966269366629707
Energy: 0.4391250561561197
Energy: 0.4456577485947182
Energy: 0.44625001894284827
Energy: 0.4384153291316202
Energy: 0.6432076305684635
Energy: 0.5085840204539862
Energy: 0.4791638119718947
Energy: 0.47797606742592547
Energy: 0.5084276541588527
Energy: 0.4841417340631826
Energy: 0.4603220376451165
Energy: 0.43853143739807565
Energy: 0.43895059445174245
Energy: 0.439556808238038
Energy: 0.4391906317059347
Energy: 0.4383915605444957
Energy: 0.4772322531753066
Energy: 0.48159144918873376
Energy: 0.48262076900735185
Energy: 0.43838771462526943
Energy: 0.4781935393765274
Energy: 0.49172609442660314
Energy: 0.4769005083325232
Energy: 0.42404507407883796
Energy: 0.4382921395995842
Energy: 0.4596266942077715
Energy: 0.4240996700616451
Energy: 0.4378354876597054
Energy: 0.4769685292592731
Energy: 0.42349216932871586
Energy: 0.423577394924178
Energy: 0.4791382927282275
Energy: 0.4234120483394687
Energy: 0.44006478722705034
Energy: 0.4233330667851583
Energy: 0.4441380879837757
Energy: 0.4392414450807272
Energy: 0.42369776042320095
Energy: 0.44509671209380675
Energy: 0.43851142197695625

minimum gb energy = 0.4232289110662336 eV
minimum distance =  2.71244745750692 Angstroms
sigma value = 9


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

Energy: 0.7688485977118731
Energy: 0.6879607073622932
Energy: 0.519664759089866
Energy: 0.521128620556323
Energy: 0.6889777916654712
Energy: 0.5186986609565322
Energy: 0.5440909834084702
Energy: 0.4798360207967254
Energy: 0.4758575319706692
Energy: 0.47073589807479305
Energy: 0.4855828352761365
Energy: 0.47316785884497775
Energy: 0.5318200141599245
Energy: 0.4817342845126094
Energy: 0.49093797011508206
Energy: 0.5024081747679943
Energy: 0.48032340572233817
Energy: 0.4870625325117712
Energy: 0.5033737068516203
Energy: 0.47719909764450247
Energy: 0.47989257211983316
Energy: 0.4953154714041967
Energy: 0.5111089052758602
Energy: 0.4809126860872679
Energy: 0.4881324219020096
Energy: 0.4760311241940815
Energy: 0.4625483753862716
Energy: 0.4621506883246518
Energy: 0.48098602294988574
Energy: 0.46527575223859907
Energy: 0.4836670942291058
Energy: 0.4687175979904093
Energy: 0.46722382447073957
Energy: 0.47297314736811835
Energy: 0.4717928292325471
Energy: 0.4675881398800103
Energy: 0.6043437431584752
Energy: 0.4900544197625402
Energy: 0.5167787268152203
Energy: 0.543146060215797
Energy: 0.48849512248997345
Energy: 0.514080685344183
Energy: 0.4984983453911398
Energy: 0.4819402723247833
Energy: 0.48008613198588485
Energy: 0.49084684095193143
Energy: 0.4817060219765863
Energy: 0.4667822822126373
Energy: 0.5552413190635039
Energy: 0.5016458555164265
Energy: 0.4990936252038508
Energy: 0.4805892637616223
Energy: 0.499397581507194
Energy: 0.48922037577353134
Energy: 0.5562836487856593
Energy: 0.4763046381321922
Energy: 0.46240977498203617
Energy: 0.4676112582658512
Energy: 0.48200442514723874
Energy: 0.46319349417043665
Energy: 0.4985295154280799
Energy: 0.47291761637750707
Energy: 0.4750642653310075
Energy: 0.49108413797612255
Energy: 0.46361002142056984
Energy: 0.4631933441910699
Energy: 0.5010188411293144
Energy: 0.4750647801052484
Energy: 0.4726520731176018
Energy: 0.49906317862209604
Energy: 0.46961443121208873
Energy: 0.4736673957599828
Energy: 0.5648642981767968
Energy: 0.4968188598759745
Energy: 0.4847377368210445
Energy: 0.4905048473560633
Energy: 0.5174137376845276
Energy: 0.46621994204943623
Energy: 0.5494643295041823
Energy: 0.4896123623907898
Energy: 0.4719949065712996
Energy: 0.4661093282754432
Energy: 0.4902216074076692
Energy: 0.47139568997644465
Energy: 0.5032013253766214
Energy: 0.46228077466783285
Energy: 0.46195849193519845
Energy: 0.5034984787575265
Energy: 0.46683255422333575
Energy: 0.46219765212028446
Energy: 0.4956169849542635
Energy: 0.5041288620304549
Energy: 0.510528066306746
Energy: 0.5000750459703986
Energy: 0.5146398166273483
Energy: 0.5025474792321074
Energy: 0.5000424251461559
Energy: 0.47737901151026385
Energy: 0.47780292860119866
Energy: 0.4909062203215635
Energy: 0.4885444355277168
Energy: 0.4733846362944289
Energy: 0.5270005537950297
Energy: 0.4874622792332977
Energy: 0.4819446947386305
Energy: 0.48192137301974564
Energy: 0.49319120929900256
Energy: 0.4806260006476426
Energy: 0.5316077509843037
Energy: 0.47059274379611066
Energy: 0.47135182674938586
Energy: 0.5005316749541378
Energy: 0.47096742717513196
Energy: 0.475727775871029
Energy: 0.5353114207652347
Energy: 0.47106468558587083
Energy: 0.4714965817270085
Energy: 0.488008308260883
Energy: 0.4696589435711082
Energy: 0.4722207458727088
Energy: 0.5180530406106064
Energy: 0.4762034096748562
Energy: 0.4840491305677202
Energy: 0.4764138446427126
Energy: 0.4900229551655945
Energy: 0.46472385315117437

minimum gb energy = 0.46195849193519845 eV
minimum distance =  2.62204304988069 Angstroms
sigma value = 27


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

Energy: 0.7124114221283485
Energy: 0.630297882179558
Energy: 0.48872523689811936
Energy: 0.4515813658902496
Energy: 0.5501484479751666
Energy: 0.4882198896687
Energy: 0.5447794113904738
Energy: 0.4580334266820193
Energy: 0.4848562074208936
Energy: 0.4966905517709132
Energy: 0.49646365123911035
Energy: 0.44970775102339133
Energy: 0.562021695498363
Energy: 0.4682454434317215
Energy: 0.4677284297958426
Energy: 0.4978396236302256
Energy: 0.4356180701887543
Energy: 0.46716493658626357
Energy: 0.503058132538039
Energy: 0.48637127499875016
Energy: 0.45806014293819874
Energy: 0.4912698425143901
Energy: 0.48465802038631584
Energy: 0.4579763701346748
Energy: 0.44897667511124834
Energy: 0.4915675692522429
Energy: 0.46771397185128394
Energy: 0.4380455138443632
Energy: 0.5094442406705018
Energy: 0.4458826913751557
Energy: 0.45540621455839847
Energy: 0.4590659031271826
Energy: 0.4587388670249359
Energy: 0.44337888469746906
Energy: 0.4445897568606537
Energy: 0.45719420741647904
Energy: 0.5092340766032861
Energy: 0.4634799907273346
Energy: 0.5179262777014775
Energy: 0.4883284636722509
Energy: 0.46523023941195585
Energy: 0.5190263703997159
Energy: 0.5176442323835346
Energy: 0.4524732959784042
Energy: 0.4522414365051901
Energy: 0.47516662141031796
Energy: 0.4567158523210435
Energy: 0.45223019864815756
Energy: 0.5310690437192631
Energy: 0.4508278329970481
Energy: 0.45088840748490777
Energy: 0.44470370755695515
Energy: 0.509142890007987
Energy: 0.47091143305440464
Energy: 0.5303956989313833
Energy: 0.4643499686519572
Energy: 0.46345292046345576
Energy: 0.45409480703440314
Energy: 0.4668974680403443
Energy: 0.4720814088377664
Energy: 0.5646917356808783
Energy: 0.4873189009221455
Energy: 0.48656187499158743
Energy: 0.49112456533667415
Energy: 0.4370319711079737
Energy: 0.48608761549328533
Energy: 0.5193738371627455
Energy: 0.45972232936157986
Energy: 0.4603956849416583
Energy: 0.49724080960760786
Energy: 0.46327703930581005
Energy: 0.46098913203828
Energy: 0.6157151567167687
Energy: 0.4706046288985547
Energy: 0.4704604884767889
Energy: 0.4400445520674778
Energy: 0.47213183708147066
Energy: 0.4705464607350872
Energy: 0.5119278310901999
Energy: 0.4717635761199761
Energy: 0.47081849785410185
Energy: 0.4585810665540419
Energy: 0.47165748902354887
Energy: 0.4664303504349417
Energy: 0.5340610311748819
Energy: 0.4493695918046131
Energy: 0.44979007291828715
Energy: 0.5345814709795665
Energy: 0.4490628452161047
Energy: 0.4462087393886861
Energy: 0.4996531241613096
Energy: 0.4589818248763909
Energy: 0.4579857791836499
Energy: 0.4992737318765929
Energy: 0.4481671023380778
Energy: 0.45680427206054885
Energy: 0.44844146450427996
Energy: 0.48323045651326746
Energy: 0.49366254407698007
Energy: 0.4362837355323593
Energy: 0.483033467092095
Energy: 0.4921420326533982
Energy: 0.45357547297754924
Energy: 0.4461941951754078
Energy: 0.4452072422684394
Energy: 0.4548348387381494
Energy: 0.48529791778862297
Energy: 0.44475472341081074
Energy: 0.5350837717559893
Energy: 0.5074322317723816
Energy: 0.49891279179396997
Energy: 0.5105742732548377
Energy: 0.4624906381791696
Energy: 0.4982316066091304
Energy: 0.5440581359816539
Energy: 0.5190417123286153
Energy: 0.5140864546444683
Energy: 0.5215288551199899
Energy: 0.4574248066114279
Energy: 0.502385010658238
Energy: 0.5324039707443601
Energy: 0.44393650092168646
Energy: 0.4441872971433093
Energy: 0.44481812446851354
Energy: 0.4447894160535312
Energy: 0.44429933345555817
Energy: 0.44625392178970796
Energy: 0.5168468317961459
Energy: 0.49588836833374833
Energy: 0.4345648868040325
Energy: 0.5369181546786727
Energy: 0.4996564456687209
Energy: 0.5631658862040272
Energy: 0.4593506961612324
Energy: 0.4585765434220478
Energy: 0.46136607010487213
Energy: 0.45403363283445397
Energy: 0.46479295702330997
Energy: 0.5643497063518157
Energy: 0.4593208556048884
Energy: 0.460517706278775
Energy: 0.4571212430281736
Energy: 0.4556409176108931
Energy: 0.4573688953552779
Energy: 0.5053749253944129
Energy: 0.47735765111131595
Energy: 0.47702311515217183
Energy: 0.4382418610677328
Energy: 0.47965815437414966
Energy: 0.45360795179562186

minimum gb energy = 0.4345648868040325 eV
minimum distance =  2.63865125055644 Angstroms
sigma value = 19


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

Energy: 0.5121951541296257
Energy: 0.587367699280484
Energy: 0.42947006641008517
Energy: 0.5996955240586829
Energy: 0.5767489791954725
Energy: 0.4294371227654063
Energy: 0.5624307184903082
Energy: 0.478284022972462
Energy: 0.45664382359724726
Energy: 0.48584267425401845
Energy: 0.45085794018580877
Energy: 0.4352815845538801
Energy: 0.5246403147645855
Energy: 0.43832530775313905
Energy: 0.4349660402430765
Energy: 0.49051274972769615
Energy: 0.4371395135062137
Energy: 0.4349230895800547
Energy: 0.5239247074634559
Energy: 0.435430319941102
Energy: 0.4357837827178059
Energy: 0.4552933555416678
Energy: 0.43488002313223867
Energy: 0.4355041274849805
Energy: 0.44246595641182745
Energy: 0.48693752044425315
Energy: 0.48688308099679306
Energy: 0.441351478515772
Energy: 0.48291121155960653
Energy: 0.4353419563768224
Energy: 0.45156815512453413
Energy: 0.4679171719939096
Energy: 0.46664728185770094
Energy: 0.441870659026753
Energy: 0.4710698776117219
Energy: 0.44206886817730906
Energy: 0.5507869353465306
Energy: 0.4328573981721717
Energy: 0.4534619356241487
Energy: 0.5046357648047503
Energy: 0.43304837577237826
Energy: 0.4535716667763478
Energy: 0.4668598725826426
Energy: 0.43565816749230496
Energy: 0.43602880030853053
Energy: 0.4417984372148582
Energy: 0.4348487511246765
Energy: 0.4355912751643765
Energy: 0.43644288673232545
Energy: 0.4353662292555244
Energy: 0.4347980393692578
Energy: 0.4344234412513127
Energy: 0.43527689563952293
Energy: 0.43475186168322544
Energy: 0.4359529366352969
Energy: 0.44223718126063305
Energy: 0.43938706369250236
Energy: 0.4341295772504462
Energy: 0.4638499348248552
Energy: 0.4386621377984359
Energy: 0.5282205234279859
Energy: 0.5265651400165741
Energy: 0.526977084378133
Energy: 0.5055096837068733
Energy: 0.528362037537148
Energy: 0.5289860885836105
Energy: 0.5111549684710912
Energy: 0.43151239039471934
Energy: 0.4369249115103554
Energy: 0.44879193078611895
Energy: 0.43499418927997846
Energy: 0.4343538924181481
Energy: 0.4510229538775486
Energy: 0.475403752558753
Energy: 0.4418586262831713
Energy: 0.43234420123678585
Energy: 0.46514523291001075
Energy: 0.4550310815055188
Energy: 0.47368936071152806
Energy: 0.46713221756410483
Energy: 0.43625861069787736
Energy: 0.4289639616128535
Energy: 0.44935980348286664
Energy: 0.43547697689460096
Energy: 0.49940705547871433
Energy: 0.4308704975279051
Energy: 0.43123881420994137
Energy: 0.4355016985400914
Energy: 0.43120108231167964
Energy: 0.431403195661885
Energy: 0.5189363436889582
Energy: 0.43735981132497714
Energy: 0.43831863237046204
Energy: 0.43689969487573543
Energy: 0.43611650229922905
Energy: 0.434654567049258
Energy: 0.5806363782514992
Energy: 0.4508612722803339
Energy: 0.4361836242975779
Energy: 0.4278060234475003
Energy: 0.4615625838654902
Energy: 0.4355805487921453
Energy: 0.4621257444574513
Energy: 0.4350637443277105
Energy: 0.43206478689005057
Energy: 0.427531735977929
Energy: 0.4655891833490373
Energy: 0.43212144996028967
Energy: 0.5173313672325357
Energy: 0.43372376875554863
Energy: 0.4531465100673946
Energy: 0.49611239857577083
Energy: 0.43349564567459153
Energy: 0.4684874536396842
Energy: 0.48698639541519384
Energy: 0.4526419486657136
Energy: 0.453506551576242
Energy: 0.4653363536095805
Energy: 0.4535556088723207
Energy: 0.46656087510650385
Energy: 0.4294974453840103
Energy: 0.4344764431301863
Energy: 0.43218754577933294
Energy: 0.43260440660596206
Energy: 0.4344530365872698
Energy: 0.431933720375256
Energy: 0.44454814927838543
Energy: 0.43546739249463867
Energy: 0.4368227705136758
Energy: 0.4344223896429546
Energy: 0.43591269878452304
Energy: 0.43142364312199816
Energy: 0.4999933530694972
Energy: 0.43488398745548296
Energy: 0.4351709143743821
Energy: 0.477717741176663
Energy: 0.4347681350142115
Energy: 0.4626719457328262
Energy: 0.4956720154931978
Energy: 0.4278819500800843
Energy: 0.43249283175174424
Energy: 0.48651699209164295
Energy: 0.4259377544548066
Energy: 0.43231865381399903
Energy: 0.4624724871771961
Energy: 0.4691310463801648
Energy: 0.4558766222456409
Energy: 0.4309972064384336
Energy: 0.49708926248123836
Energy: 0.43257224450257886
Energy: 0.4434537351243896
Energy: 0.4840665924619873
Energy: 0.4833678581215318
Energy: 0.4330922786663296
Energy: 0.4923546399299087
Energy: 0.43508831647034135
Energy: 0.5253486260822982
Energy: 0.43703311992455035
Energy: 0.4371029444969981
Energy: 0.4356071537705912
Energy: 0.4367309302115112
Energy: 0.4373825330469448
Energy: 0.5155533258469626
Energy: 0.4347308618858525
Energy: 0.4352029265009961
Energy: 0.4338213038441616
Energy: 0.43436575428756236
Energy: 0.4355308850887533
Energy: 0.45933954024267104
Energy: 0.47835116504541003
Energy: 0.48405889910506383
Energy: 0.43537417541149787
Energy: 0.4794650660159328
Energy: 0.45208559022898426

minimum gb energy = 0.4259377544548066 eV
minimum distance =  2.65087005258751 Angstroms
sigma value = 101


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

Energy: 0.6574440052683084
Energy: 0.5612394959563756
Energy: 0.42239196206439306
Energy: 0.5736168072928616
Energy: 0.561223042841791
Energy: 0.5669069514858843
Energy: 0.5524790923773458
Energy: 0.4196639391586905
Energy: 0.42052907601972395
Energy: 0.4415497469362199
Energy: 0.4231815025304935
Energy: 0.41935270601052177
Energy: 0.52730639106162
Energy: 0.4209543819592871
Energy: 0.4173657608047202
Energy: 0.4823292266479945
Energy: 0.4227482633671973
Energy: 0.4422341206923336
Energy: 0.4286704153246899
Energy: 0.4197193741649596
Energy: 0.41986468888944706
Energy: 0.4193922198201417
Energy: 0.4192198115273942
Energy: 0.41932210062683456
Energy: 0.4248389887828714
Energy: 0.48513862942132085
Energy: 0.4455870810200437
Energy: 0.42253492137787546
Energy: 0.48240834838697755
Energy: 0.42332597481545275
Energy: 0.4426634647543407
Energy: 0.45534659659777127
Energy: 0.44203455410037784
Energy: 0.42290234175433294
Energy: 0.4543962375331275
Energy: 0.4199030016692844
Energy: 0.46988793559799286
Energy: 0.4144703819555226
Energy: 0.41325501926829744
Energy: 0.4301705136683033
Energy: 0.41438999573664376
Energy: 0.4844002249375983
Energy: 0.4172079059227563
Energy: 0.44330873297635054
Energy: 0.44328646563848445
Energy: 0.42245794130014186
Energy: 0.41987540834580006
Energy: 0.4421574139083315
Energy: 0.41828033411189913
Energy: 0.41690219850458893
Energy: 0.41648502316685937
Energy: 0.42262295716135884
Energy: 0.41568937721381305
Energy: 0.41946662124281164
Energy: 0.417318385857568
Energy: 0.4210318014931425
Energy: 0.420839726583683
Energy: 0.4191526135372517
Energy: 0.4354765192164802
Energy: 0.4214833782897544
Energy: 0.5205830714233198
Energy: 0.5717442127353561
Energy: 0.569703336516138
Energy: 0.4825295691275085
Energy: 0.43900312636349487
Energy: 0.5339960983167314
Energy: 0.452568916687795
Energy: 0.4208538756877254
Energy: 0.42071789700646434
Energy: 0.4235550076279008
Energy: 0.42054246100305154
Energy: 0.42116737239280855
Energy: 0.5442083370365915
Energy: 0.49813232096671595
Energy: 0.463941872255471
Energy: 0.4166233032898315
Energy: 0.5111255845695304
Energy: 0.41640848304065176
Energy: 0.42765378443921076
Energy: 0.4348115846407784
Energy: 0.4343966602525054
Energy: 0.4137394863992699
Energy: 0.43994796591572455
Energy: 0.42142686329876256
Energy: 0.5183580344297246
Energy: 0.4242366823134882
Energy: 0.42121387447009445
Energy: 0.422744337164546
Energy: 0.4199733546603312
Energy: 0.4216511106696829
Energy: 0.5188055201290559
Energy: 0.41965145571269513
Energy: 0.41996061103408144
Energy: 0.4428696496251197
Energy: 0.41954302798209736
Energy: 0.42047117837576636
Energy: 0.6600440435562216
Energy: 0.48800974201888353
Energy: 0.4183500568356971
Energy: 0.519185934023854
Energy: 0.4467856232226268
Energy: 0.567188586640839
Energy: 0.4842622344112284
Energy: 0.4339015740225896
Energy: 0.4164620079399452
Energy: 0.4259333285204508
Energy: 0.42385810495463777
Energy: 0.4190693031236213
Energy: 0.5296399524157885
Energy: 0.4172941394431342
Energy: 0.41623436041462436
Energy: 0.4981048789432633
Energy: 0.4167290278744683
Energy: 0.4158676323965433
Energy: 0.5546182806687673
Energy: 0.4165056808308202
Energy: 0.41655830639450814
Energy: 0.4762506483630158
Energy: 0.41791856021304186
Energy: 0.41688310911000215
Energy: 0.42661056049236834
Energy: 0.4842823877179632
Energy: 0.48300333246025917
Energy: 0.4243202702222629
Energy: 0.49317786572429706
Energy: 0.4233254869916669
Energy: 0.44281895760509393
Energy: 0.4181632824369837
Energy: 0.4175837261792306
Energy: 0.42247062695595006
Energy: 0.4560161738896286
Energy: 0.4204090278933876
Energy: 0.4521231664498875
Energy: 0.4133618538209839
Energy: 0.4136465985485872
Energy: 0.4382631355457284
Energy: 0.4148617557819883
Energy: 0.4137292715302439
Energy: 0.4174756678985371
Energy: 0.41345251506774894
Energy: 0.43859453260364284
Energy: 0.4216712963935046
Energy: 0.41331997099352635
Energy: 0.4192145267997815
Energy: 0.4218021312454928
Energy: 0.4199214757489957
Energy: 0.4200041235346059
Energy: 0.4197680859081925
Energy: 0.4242136708287603
Energy: 0.4198523032517779
Energy: 0.41798834147359676
Energy: 0.4209647501826486
Energy: 0.4212166440674927
Energy: 0.42239683857604426
Energy: 0.4210789649043838
Energy: 0.4211636835674592
Energy: 0.5172089579054683
Energy: 0.4089038374816711
Energy: 0.4098335234393766
Energy: 0.4583061684214706
Energy: 0.411983569602948
Energy: 0.49247938855247014
Energy: 0.4755678471230964
Energy: 0.4092368515676508
Energy: 0.41004792438662957
Energy: 0.47473509310900774
Energy: 0.4094536541848855
Energy: 0.42107710563448264
Energy: 0.42858606727242465
Energy: 0.5081582668896706
Energy: 0.4449413058705721
Energy: 0.41606973988997337
Energy: 0.4877948670597819
Energy: 0.4426678599045686
Energy: 0.4285865843670281
Energy: 0.4580997826680966
Energy: 0.41928244337086445
Energy: 0.41645440289138763
Energy: 0.43923237311482155
Energy: 0.4174720536263209
Energy: 0.5305699429855955
Energy: 0.42062456955451977
Energy: 0.4207708497384407
Energy: 0.42248757316886804
Energy: 0.4208083711645606
Energy: 0.420805702204998
Energy: 0.5189858333908555
Energy: 0.4194713289306511
Energy: 0.4198329634664763
Energy: 0.4190726467642689
Energy: 0.41982478688632624
Energy: 0.4199512647842184
Energy: 0.4283142709676085
Energy: 0.46119772828849515
Energy: 0.45412005697125735
Energy: 0.4088814999278387
Energy: 0.4506764840504724
Energy: 0.455219597872202

minimum gb energy = 0.4088814999278387 eV
minimum distance =  2.65224159739505 Angstroms
sigma value = 33


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

Energy: 0.011788801316927661
Energy: 0.368965356482171
Energy: 0.012318478439357686
Energy: 0.013196695313198701
Energy: 0.371357483925052
Energy: 0.012023993310750228
Energy: 0.35475931368994235
Energy: 0.06393397813161164
Energy: 0.0627156832084522
Energy: 0.062254007365394055
Energy: 0.06360159928818815
Energy: 0.06288329518315519
Energy: 0.6602978889648887
Energy: 0.36904556277101086
Energy: 0.3675703055262285
Energy: 0.36938896139871996
Energy: 0.3691619690356204
Energy: 0.36755126651402104
Energy: 0.3547593136902792
Energy: 0.06393397813194851
Energy: 0.06271568320775864
Energy: 0.06225400736503737
Energy: 0.06360159928818815
Energy: 0.06288329518210495

minimum gb energy = 0.011788801316927661 eV
minimum distance =  2.81258644049121 Angstroms
sigma value = 1