Model name: model_name=EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032073378562927
cohesive_energy=3.360270999181857
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=[2.0212259326226998e-19, 2.65757844811482e-19, 3.03902466113754e-19, 3.4081821793774797e-19, 3.6802317718306796e-19, 3.92344218487188e-19, 4.1436132979161596e-19, 4.3353297539406e-19, 4.498174987020359e-19, 4.63395945675186e-19, 4.745791385805059e-19, 4.84793014622256e-19, 4.95253625865642e-19, 5.041937714833619e-19, 5.11345887977538e-19, 5.17209854457978e-19, 5.22307980507366e-19, 5.2673639672374195e-19, 5.304454356314519e-19, 5.334014515211819e-19, 5.356124552761019e-19, 5.371473404914739e-19, 5.3804295722988e-19, 5.38332951200634e-19, 5.38020526757004e-19, 5.37003144594414e-19, 5.351526305821439e-19, 5.323728541221539e-19, 5.28641384741568e-19, 5.236313784070499e-19, 5.16969527962878e-19, 5.08396280794344e-19, 4.9769213870258995e-19, 4.8420982232748e-19, 4.670312844577319e-19, 4.44881192492682e-19, 4.16174993741304e-19, 3.78869912995248e-19, 3.3068284855106395e-19, 2.69691188447952e-19, 1.9296615379895997e-19, 9.67943798194662e-20, -2.3618486850110998e-20, -1.7341158798098998e-19, -3.5857353939573594e-19, -5.890081959574199e-19, -8.820174631366078e-19, -1.2539163055973218e-18, -1.6972658172279e-18, -2.1969847093724998e-18, -2.7921773071371595e-18, -3.544687628594279e-18, -4.60620975745098e-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: 0.010416818934065531
Energy: 0.22727145425236983
Energy: 0.010821401350375548
Energy: 0.01212073235365838
Energy: 0.22748345103544051
Energy: 0.010780600063729374
Energy: 0.22727145425063328
Energy: 0.05600667684227605
Energy: 0.056135943391706
Energy: 0.05580810449727318
Energy: 0.056071908115142205
Energy: 0.056206662526358774
Energy: 0.010821401349143132
Energy: 0.056135943392434245
Energy: 0.05607638180643562
Energy: 0.010756558402964049
Energy: 0.056224754529263676
Energy: 0.05614242637461595
Energy: 0.01212073235365838
Energy: 0.05580810449926185
Energy: 0.010756558402487888
Energy: 0.010598815512062936
Energy: 0.056014268892214426
Energy: 0.01081224447841407
Energy: 0.22748345103420808
Energy: 0.05607190811909154
Energy: 0.05622475452901159
Energy: 0.05601426889196235
Energy: 0.05582420750160722
Energy: 0.0559533937698912
Energy: 0.010780600064233543
Energy: 0.05620666253030811
Energy: 0.05614242637240321
Energy: 0.010812244477657815
Energy: 0.0559533937686588
Energy: 0.01092551824917133

minimum gb energy = 0.010416818934065531 eV
minimum distance =  2.84387700342066 Angstroms
sigma value = 1


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

Energy: 0.6349841049341313
Energy: 0.6783124227409252
Energy: 0.4149282809696233
Energy: 0.4277792097923585
Energy: 0.4519514328129262
Energy: 0.41287206767257756
Energy: 0.5831453800396473
Energy: 0.46734584626988984
Energy: 0.44728842792483814
Energy: 0.4213316126324439
Energy: 0.4649573642555974
Energy: 0.44692605017949205
Energy: 0.662189784523305
Energy: 0.4206307387463625
Energy: 0.4060812958388655
Energy: 0.3969787483351535
Energy: 0.44593456017045013
Energy: 0.40560082277859516
Energy: 0.6639796218184244
Energy: 0.40541055024429107
Energy: 0.41934231004341194
Energy: 0.39877659599987286
Energy: 0.40528890627593694
Energy: 0.39719714496716507
Energy: 0.690196272407074
Energy: 0.4464820105010465
Energy: 0.44009452693593715
Energy: 0.4251657491593872
Energy: 0.4455088776022667
Energy: 0.44000601710369497
Energy: 0.584136622519431
Energy: 0.4287968451285327
Energy: 0.4283558083123544
Energy: 0.42518913190435037
Energy: 0.44189244281713236
Energy: 0.42530551697129604
Energy: 0.5830034044508514
Energy: 0.4382041514227067
Energy: 0.4253702643014596
Energy: 0.42524828209181764
Energy: 0.43801899103856173
Energy: 0.42538782941114534
Energy: 0.5718294670152355
Energy: 0.43663576543210564
Energy: 0.4369913873005018
Energy: 0.4294216620587946
Energy: 0.43664013488292175
Energy: 0.42123356465057077
Energy: 0.48442765998924026
Energy: 0.42572952092628535
Energy: 0.4256713185121277
Energy: 0.4417184859607389
Energy: 0.42559068751977863
Energy: 0.42767696637064984
Energy: 0.48362310759815275
Energy: 0.44141386800255383
Energy: 0.44095176007024506
Energy: 0.44456939470753826
Energy: 0.43002495252760103
Energy: 0.4417400983736046
Energy: 0.5428243884734502
Energy: 0.41277883448697983
Energy: 0.43332543097867005
Energy: 0.5436817200700814
Energy: 0.4126780778026953
Energy: 0.4190861256022027
Energy: 0.46796830634295294
Energy: 0.3973858765874797
Energy: 0.405659773333903
Energy: 0.46740557232148455
Energy: 0.4024764501422786
Energy: 0.4060100816986002
Energy: 0.46563108817834187
Energy: 0.42779720212366584
Energy: 0.4312675957602631
Energy: 0.46579443150628924
Energy: 0.4130972899843271
Energy: 0.44677566002807473
Energy: 0.5178850076187349
Energy: 0.39748057008360294
Energy: 0.42159313424593237
Energy: 0.4497098278138204
Energy: 0.39780101208811103
Energy: 0.40623771607388054
Energy: 0.4672814198348729
Energy: 0.44151037135621657
Energy: 0.42470782022438025
Energy: 0.45044316798127465
Energy: 0.436344932510595
Energy: 0.45313675227425865
Energy: 0.4739041101843486
Energy: 0.39737642404716195
Energy: 0.3974324766644736
Energy: 0.45747276134703196
Energy: 0.39754343690758753
Energy: 0.3978303264975415
Energy: 0.5452422585703228
Energy: 0.42423050036538473
Energy: 0.42435705359708575
Energy: 0.4290295231795789
Energy: 0.4245018918838755
Energy: 0.39740144941078936
Energy: 0.5229691989351728
Energy: 0.43987871976606163
Energy: 0.44458529609737657
Energy: 0.43982693362651437
Energy: 0.425580502595354
Energy: 0.4494757421418515
Energy: 0.5228589496881043
Energy: 0.4463942441711916
Energy: 0.4466900506727888
Energy: 0.4402259211696887
Energy: 0.4396288772258458
Energy: 0.4415808244823245
Energy: 0.6763836203688424
Energy: 0.4474959032155273
Energy: 0.4443383526305894
Energy: 0.43824302348326194
Energy: 0.44010573080697174
Energy: 0.441288614398422
Energy: 0.6211446987356959
Energy: 0.4204835678023176
Energy: 0.4114358925342229
Energy: 0.4124571621665692
Energy: 0.45518830270296917
Energy: 0.4114203495582865
Energy: 0.6208631562815065
Energy: 0.4166651877299769
Energy: 0.3979272638618385
Energy: 0.41069786951809206
Energy: 0.42687394951286595
Energy: 0.397561901605999
Energy: 0.6339584509160564
Energy: 0.45085924732701504
Energy: 0.4524262955469221
Energy: 0.4015109584441964
Energy: 0.4499801751685957
Energy: 0.4523680711782002

minimum gb energy = 0.3969787483351535 eV
minimum distance =  2.62227032611726 Angstroms
sigma value = 33


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

Energy: 0.6912291741234872
Energy: 0.408638330199632
Energy: 0.3888772625040756
Energy: 0.3866845662887212
Energy: 0.40881198790481815
Energy: 0.3889315307289354
Energy: 0.5816201855444539
Energy: 0.4552789934760272
Energy: 0.4100766301926577
Energy: 0.39007735740986105
Energy: 0.4555958431832531
Energy: 0.40850252231294704
Energy: 0.582947321126327
Energy: 0.4549190530346115
Energy: 0.40925039751297276
Energy: 0.40667969645378166
Energy: 0.4542981215956018
Energy: 0.4102895944421387
Energy: 0.5818012650436519
Energy: 0.40980595008178805
Energy: 0.4098848368861752
Energy: 0.4071417532663495
Energy: 0.40941000451556947
Energy: 0.4067771382989613
Energy: 0.6882796699053526
Energy: 0.45370456921077545
Energy: 0.45480580859430086
Energy: 0.40536077064275844
Energy: 0.4535847249609486
Energy: 0.4540808586909537
Energy: 0.5816053834224317
Energy: 0.4060179761960086
Energy: 0.4062141929185676
Energy: 0.4081134719700226
Energy: 0.45379829735384175
Energy: 0.4054906768441864
Energy: 0.5812535573659771
Energy: 0.4095041925205701
Energy: 0.40957577595332006
Energy: 0.4080964713947421
Energy: 0.42879647955078487
Energy: 0.4102439739809843
Energy: 0.5391385922079031
Energy: 0.44548821554514106
Energy: 0.4432772117267615
Energy: 0.42324622063266887
Energy: 0.44273091716747054
Energy: 0.4443407308373847
Energy: 0.47400806103123794
Energy: 0.44379185178086616
Energy: 0.40517263951898924
Energy: 0.4534112569286904
Energy: 0.44285039670357185
Energy: 0.406488745740904
Energy: 0.47454469176794745
Energy: 0.4452816083791472
Energy: 0.4532235954132628
Energy: 0.4534874595579202
Energy: 0.44518266005792706
Energy: 0.4528530972325232
Energy: 0.5081160426600118
Energy: 0.3557557403841399
Energy: 0.35607740859607523
Energy: 0.46197249794617906
Energy: 0.3556247828411476
Energy: 0.3563368435394525
Energy: 0.4551579513015565
Energy: 0.3557099265938371
Energy: 0.4087543704311111
Energy: 0.45836393324015823
Energy: 0.3557123991344889
Energy: 0.40864689015558925
Energy: 0.46182112729471547
Energy: 0.3621713157186484
Energy: 0.4104510098869847
Energy: 0.45425337155170675
Energy: 0.3939852329760177
Energy: 0.40969162660189157
Energy: 0.5073277951217546
Energy: 0.4078860184347722
Energy: 0.4069331329533071
Energy: 0.41334170160316674
Energy: 0.40776285775381993
Energy: 0.41879295727144067
Energy: 0.47492971812542156
Energy: 0.4057403121867458
Energy: 0.4531203361185694
Energy: 0.45415419517678146
Energy: 0.44516474831355446
Energy: 0.45357424604752555
Energy: 0.47437860967156126
Energy: 0.4080440363943324
Energy: 0.40462094569739837
Energy: 0.4534960109063248
Energy: 0.4080112465167923
Energy: 0.40636098472008925
Energy: 0.5394718734543058
Energy: 0.4082211895064141
Energy: 0.40823483052416687
Energy: 0.4300840949474325
Energy: 0.407944788085058
Energy: 0.4100369318579092
Energy: 0.49938694182212046
Energy: 0.409406241653063
Energy: 0.409182300224762
Energy: 0.4428399062622574
Energy: 0.37751719336424183
Energy: 0.4434517187477634
Energy: 0.501451017064401
Energy: 0.45353665413973027
Energy: 0.4068869917559942
Energy: 0.4427353128089347
Energy: 0.4534875773496514
Energy: 0.4053367415922554
Energy: 0.6998071651426853
Energy: 0.4553310702409357
Energy: 0.45373509872963264
Energy: 0.4458568004054256
Energy: 0.45544606749695815
Energy: 0.45313519653736306
Energy: 0.6671869437274495
Energy: 0.4134721379321625
Energy: 0.35607185811504644
Energy: 0.3560105397225374
Energy: 0.4134186138928935
Energy: 0.3560004670765399
Energy: 0.6650015476273158
Energy: 0.4143318883288869
Energy: 0.40910147896898186
Energy: 0.35621757050124436
Energy: 0.46023189716430696
Energy: 0.4085304438674744
Energy: 0.6861159743355382
Energy: 0.4547683036417757
Energy: 0.45469063649135844
Energy: 0.40993863652046475
Energy: 0.46150798613510563
Energy: 0.410092946286685
Energy: 0.5925451556021952
Energy: 0.4633785643030675
Energy: 0.4645041476391386
Energy: 0.4080135264569294
Energy: 0.4635812301070225
Energy: 0.4198518208838066
Energy: 0.6858604248828598
Energy: 0.45427223604541606
Energy: 0.4533614861838982
Energy: 0.44522886297262293
Energy: 0.45443328363053503
Energy: 0.4534554865772741
Energy: 0.583745382841336
Energy: 0.4051879678218403
Energy: 0.4058856938764774
Energy: 0.4079148915911844
Energy: 0.45291236773949567
Energy: 0.40668378323848936
Energy: 0.5812686413922485
Energy: 0.409534502947551
Energy: 0.40975879419632905
Energy: 0.4082631506641532
Energy: 0.3762744437032297
Energy: 0.4083500637762887
Energy: 0.5396405476687952
Energy: 0.4465724878589827
Energy: 0.4445705948785269
Energy: 0.4299304564019749
Energy: 0.4425168071882897
Energy: 0.409330894107909
Energy: 0.4753294713986835
Energy: 0.44573551757140617
Energy: 0.44412229575522627
Energy: 0.4549867949776637
Energy: 0.4425922319565203
Energy: 0.4056748211171502
Energy: 0.47571623428476634
Energy: 0.4047542490895461
Energy: 0.4049544043629651
Energy: 0.454883418719557
Energy: 0.3870409381916137
Energy: 0.4560090026065744
Energy: 0.4747083734719271
Energy: 0.35584909316075264
Energy: 0.3557684545577034
Energy: 0.4133794849603225
Energy: 0.3558841627948437
Energy: 0.3557276941041905
Energy: 0.46038614253600735
Energy: 0.3558485334438915
Energy: 0.35586473082923015
Energy: 0.45957470884272894
Energy: 0.3559705185160851
Energy: 0.4088794807596799
Energy: 0.45989707831943394
Energy: 0.36198456792560524
Energy: 0.4104114598564935
Energy: 0.4603495129800303
Energy: 0.44523003814019146
Energy: 0.4544823379688357
Energy: 0.45420421481450585
Energy: 0.40787352819676304
Energy: 0.4072849493196131
Energy: 0.45424505453482755
Energy: 0.40805811999540764
Energy: 0.41704604533713635
Energy: 0.474621013845952
Energy: 0.36176606031296865
Energy: 0.4091490951417829
Energy: 0.454308285293684
Energy: 0.39296891528885064
Energy: 0.4535977822096535
Energy: 0.47300267528269174
Energy: 0.3907354475074587
Energy: 0.406781834155805
Energy: 0.4531955512381048
Energy: 0.40789462884585753
Energy: 0.40631113166013183
Energy: 0.47466559234794636
Energy: 0.4082292030125585
Energy: 0.4095640571304353
Energy: 0.40546340060320346
Energy: 0.4083033323034018
Energy: 0.4096401445698605
Energy: 0.4962040326427075
Energy: 0.40846013846964985
Energy: 0.4094785405253009
Energy: 0.44273774661594517
Energy: 0.45452563584571315
Energy: 0.4099225364619562
Energy: 0.49828591450848597
Energy: 0.45358516479123356
Energy: 0.4056318142685065
Energy: 0.4427776429886939
Energy: 0.45411265838715353
Energy: 0.4432909435343824
Energy: 0.6122832457141636
Energy: 0.4529841083527985
Energy: 0.4543110182572932
Energy: 0.42596756614527354
Energy: 0.4534268225803603
Energy: 0.4532158160771784
Energy: 0.66391517798327
Energy: 0.4133214378035459
Energy: 0.3556193131566124
Energy: 0.3557597583087409
Energy: 0.41412137145151373
Energy: 0.3556288839744642

minimum gb energy = 0.3556193131566124 eV
minimum distance =  2.68089440461691 Angstroms
sigma value = 51


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

Energy: 0.6565723558331723
Energy: 0.4329120079491699
Energy: 0.4598717982780932
Energy: 0.4128705485782235
Energy: 0.4314873379718752
Energy: 0.39627098753664336
Energy: 0.62460716586179
Energy: 0.46339685422145344
Energy: 0.46376673141325997
Energy: 0.4512772217586232
Energy: 0.4637062503627708
Energy: 0.4305015673800893
Energy: 0.5896614833445284
Energy: 0.4268816118554903
Energy: 0.3972701999123103
Energy: 0.3633961405101627
Energy: 0.46160048263883807
Energy: 0.3901885808099681
Energy: 0.5893946390739502
Energy: 0.3896544730642703
Energy: 0.38976960123927146
Energy: 0.4041859265896975
Energy: 0.4089460368229601
Energy: 0.38249011730666566
Energy: 0.6246789540315807
Energy: 0.4503145295657536
Energy: 0.45051884728154556
Energy: 0.40376928530608874
Energy: 0.44982897868157634
Energy: 0.4502991791010224
Energy: 0.5070882338396757
Energy: 0.45036100606047325
Energy: 0.43076800413809746
Energy: 0.4490264066020008
Energy: 0.45016101282913046
Energy: 0.42341459243904417
Energy: 0.507887510292747
Energy: 0.43241743366752006
Energy: 0.4503791753265927
Energy: 0.4489946192116125
Energy: 0.4031118585793854
Energy: 0.44971938027332525
Energy: 0.5300573061683568
Energy: 0.3674848748816514
Energy: 0.3673875372045482
Energy: 0.43848774927071266
Energy: 0.3676085693791465
Energy: 0.3671042314213532
Energy: 0.46101314825699546
Energy: 0.36736916674721753
Energy: 0.3673342388306489
Energy: 0.4279876115044252
Energy: 0.36761917331803423
Energy: 0.39010578179381755
Energy: 0.4624802651306459
Energy: 0.38180564271217915
Energy: 0.4306551807140144
Energy: 0.4625435604350823
Energy: 0.37518709314523885
Energy: 0.4612015240940533
Energy: 0.46407040619754314
Energy: 0.3885347136894296
Energy: 0.3887972822921952
Energy: 0.4647020624851819
Energy: 0.3887532592723872
Energy: 0.48424853348027413
Energy: 0.4640684533825373
Energy: 0.3874320676294623
Energy: 0.43071377789116594
Energy: 0.45580833402229015
Energy: 0.39359848889445576
Energy: 0.45603587324561
Energy: 0.4636542556118502
Energy: 0.3951013313854681
Energy: 0.3951267881834787
Energy: 0.45550813614729985
Energy: 0.39499230135096536
Energy: 0.4210513975011688
Energy: 0.46412976998368305
Energy: 0.3886721493353037
Energy: 0.3889283142322762
Energy: 0.4570601674262905
Energy: 0.3888870340084277
Energy: 0.40458110756687254
Energy: 0.5369992916311241
Energy: 0.40809185377175095
Energy: 0.4062390322541629
Energy: 0.43580085911307326
Energy: 0.4503442448313645
Energy: 0.3885831681174408
Energy: 0.5373267732787237
Energy: 0.4210520363401356
Energy: 0.40292780072972867
Energy: 0.43533391786214104
Energy: 0.42129198728552036
Energy: 0.39540887451573964
Energy: 0.6089137926796574
Energy: 0.45600956789405
Energy: 0.4560250770881305
Energy: 0.39639805096438596
Energy: 0.4570588753018655
Energy: 0.4204672154302065
Energy: 0.6398682626971645
Energy: 0.43511682495575843
Energy: 0.40805164515114717
Energy: 0.36669165462780134
Energy: 0.43479929964011005
Energy: 0.4080310272325438

minimum gb energy = 0.3633961405101627 eV
minimum distance =  2.6637003236702 Angstroms
sigma value = 19


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

Energy: 0.5459417815451562
Energy: 0.39232672370231547
Energy: 0.3755179863121163
Energy: 0.3763966709855875
Energy: 0.4089581177414759
Energy: 0.37577868652698476
Energy: 0.5811496757922402
Energy: 0.408175272717133
Energy: 0.40826670324401293
Energy: 0.36578499214006926
Energy: 0.4082272664964441
Energy: 0.39208776597548933
Energy: 0.5818219477163536
Energy: 0.40854270682556426
Energy: 0.4085091369329239
Energy: 0.36690164325172514
Energy: 0.40831891679496807
Energy: 0.40862169685504895
Energy: 0.4699879783260925
Energy: 0.40883131956456176
Energy: 0.4086387723500626
Energy: 0.4033134536071878
Energy: 0.40819571198070503
Energy: 0.40861771419629456
Energy: 0.5828336314930268
Energy: 0.40651858120626355
Energy: 0.4254640415719974
Energy: 0.4059950764392918
Energy: 0.4059896454122278
Energy: 0.42551215288301214
Energy: 0.4715660558625479
Energy: 0.3968929828145253
Energy: 0.404909091091707
Energy: 0.40624195157398746
Energy: 0.3964880393049195
Energy: 0.40532531782463477
Energy: 0.47035415382200507
Energy: 0.41925824684423185
Energy: 0.40537083434742055
Energy: 0.4061878434833068
Energy: 0.37810536371866865
Energy: 0.405801541516383
Energy: 0.47046423666986664
Energy: 0.3495004757014163
Energy: 0.3495634061986898
Energy: 0.3918142544635577
Energy: 0.3494229117904335
Energy: 0.3494808527526983
Energy: 0.40820284929802464
Energy: 0.3493229901331924
Energy: 0.34979505618571455
Energy: 0.40819517419755813
Energy: 0.34948587468944725
Energy: 0.34966061985762825
Energy: 0.4093728754565303
Energy: 0.36539529460262826
Energy: 0.4082199416228628
Energy: 0.40843735405921694
Energy: 0.36551695080973917
Energy: 0.4084133951329347
Energy: 0.40902876209973515
Energy: 0.4035345603045645
Energy: 0.40349621251225676
Energy: 0.409030120023642
Energy: 0.4034234795252287
Energy: 0.39210466686981876
Energy: 0.47031369726535216
Energy: 0.4052145990794077
Energy: 0.40524369537248256
Energy: 0.4063607729741965
Energy: 0.3657096354930869
Energy: 0.3916972001903812
Energy: 0.3968224816181765
Energy: 0.4052883596917827
Energy: 0.3764980719062987
Energy: 0.3982555566645394
Energy: 0.4055328282981334
Energy: 0.3771168153355191
Energy: 0.47015027247697394
Energy: 0.40646236446269013
Energy: 0.40612631015790446
Energy: 0.4064685588969479
Energy: 0.40600733655285615
Energy: 0.40603477091727436
Energy: 0.5386612933927729
Energy: 0.3922781181305288
Energy: 0.3919201420263915
Energy: 0.3497432830642546
Energy: 0.40677765184494724
Energy: 0.34964247624040734
Energy: 0.5388519739307889
Energy: 0.40856059674878414
Energy: 0.3495707075896738
Energy: 0.3498240260523496
Energy: 0.4084152215885041
Energy: 0.3496201657665543
Energy: 0.5822244101437662
Energy: 0.4083849076643915
Energy: 0.40831700394134857
Energy: 0.366451538684135
Energy: 0.40885268160690535
Energy: 0.4089747480195232
Energy: 0.47109263937481666
Energy: 0.40865653480657743
Energy: 0.4086750114496315
Energy: 0.40367414461368023
Energy: 0.4086085550844959
Energy: 0.40862187165959885
Energy: 0.46966807213928174
Energy: 0.40880448614103215
Energy: 0.40875782995442317
Energy: 0.4033623730345912
Energy: 0.40859491009795496
Energy: 0.4085748823637129
Energy: 0.46998376823486926
Energy: 0.396425109860266
Energy: 0.42476885267279285
Energy: 0.4056910058860764
Energy: 0.39637430766762993
Energy: 0.40483115617529286
Energy: 0.4696652687948284
Energy: 0.37680784426642716
Energy: 0.406233873404372
Energy: 0.4058501151553531
Energy: 0.4058817501517741
Energy: 0.406077634169181
Energy: 0.46976263095172066
Energy: 0.3651350281099746
Energy: 0.40617019592766845
Energy: 0.4057097234041042
Energy: 0.3657742431395635
Energy: 0.40585685981249325
Energy: 0.4707575335403946
Energy: 0.35006836519725903
Energy: 0.3494310610464545
Energy: 0.4706856656527039
Energy: 0.3498600554800708
Energy: 0.37550209317496547
Energy: 0.4083216402471362
Energy: 0.36623863430546794
Energy: 0.39212414528730827
Energy: 0.4083223641337612
Energy: 0.3492246381171769
Energy: 0.4085733521335443
Energy: 0.4084291491180238
Energy: 0.3652633880184031
Energy: 0.4084088957070813
Energy: 0.40829061067753447
Energy: 0.36641012083617225
Energy: 0.4083705724305205
Energy: 0.4711292446710214
Energy: 0.40402348818888223
Energy: 0.4042877593179248
Energy: 0.40868849459241785
Energy: 0.403200066243429
Energy: 0.4087420916688087
Energy: 0.47009057839251034
Energy: 0.40595583669152946
Energy: 0.4059232853562094
Energy: 0.40589100522938465
Energy: 0.4061415709959906
Energy: 0.42544154012187574
Energy: 0.3964400049867466
Energy: 0.40745916588874365
Energy: 0.4056310564552103
Energy: 0.3964175877000217
Energy: 0.4057282549699307
Energy: 0.40486275546894385
Energy: 0.4701767253756086
Energy: 0.40766731828931224
Energy: 0.4060267760272636
Energy: 0.37817365936221725
Energy: 0.40563825665812
Energy: 0.40540893105449755
Energy: 0.5389239975543039
Energy: 0.39192000785952136
Energy: 0.34952064054889004
Energy: 0.3496268927536541
Energy: 0.39190848605754536
Energy: 0.3494080529062827

minimum gb energy = 0.3492246381171769 eV
minimum distance =  2.70762400726206 Angstroms
sigma value = 27


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

Energy: 0.47369811857737193
Energy: 0.4293526439203917
Energy: 0.4701693923553715
Energy: 0.3236634081754027
Energy: 0.429604630085607
Energy: 0.5497509329162047
Energy: 0.607849837708147
Energy: 0.39657119307803257
Energy: 0.3965356517518087
Energy: 0.35406368287329165
Energy: 0.3964351140620426
Energy: 0.3861926540289065
Energy: 0.6009450831822692
Energy: 0.39880415199878344
Energy: 0.396981566946419
Energy: 0.35428852140933664
Energy: 0.39922881964302437
Energy: 0.39751844370203776
Energy: 0.6030091094575888
Energy: 0.39744095826533693
Energy: 0.36959787465215727
Energy: 0.35335039152714104
Energy: 0.39817353833670566
Energy: 0.37002342233695684
Energy: 0.47402543594704233
Energy: 0.3100502503901894
Energy: 0.35593584952637
Energy: 0.3697157686561325
Energy: 0.3098344547623974
Energy: 0.3555904125558579
Energy: 0.3967424977656631
Energy: 0.30978110039705054
Energy: 0.30967742910762014
Energy: 0.39689436074270373
Energy: 0.30976587365366776
Energy: 0.3097997385010637
Energy: 0.39883793763288033
Energy: 0.3560754769990349
Energy: 0.35474195597226654
Energy: 0.39867754431922275
Energy: 0.3539695136049323
Energy: 0.39648544735628233
Energy: 0.3972896352508113
Energy: 0.3691888708311223
Energy: 0.3694860378774618
Energy: 0.39728734576677266
Energy: 0.3526642751025923
Energy: 0.3694681279308344
Energy: 0.4242812945613181
Energy: 0.3545945496698352
Energy: 0.3534213692013776
Energy: 0.3970574083589272
Energy: 0.3524220026766514
Energy: 0.38492801572737334
Energy: 0.42562219016371783
Energy: 0.3636725305595707
Energy: 0.3289582390302961
Energy: 0.3640587821636324
Energy: 0.3650177672172282
Energy: 0.3627878435450148
Energy: 0.4242498603403575
Energy: 0.3640820597943734
Energy: 0.3642742745686522
Energy: 0.3640327654074255
Energy: 0.36328340758987476
Energy: 0.3651904534754952
Energy: 0.607908577085936
Energy: 0.36325767470024833
Energy: 0.36380139241144716
Energy: 0.3542809499723727
Energy: 0.3643089069594219
Energy: 0.3847413222392232

minimum gb energy = 0.30967742910762014 eV
minimum distance =  2.66823987667863 Angstroms
sigma value = 9


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

Energy: 0.8042622961983134
Energy: 0.3399328034763086
Energy: 0.41558832142946517
Energy: 0.41541497010217465
Energy: 0.34018017699543446
Energy: 0.41527377873125254
Energy: 0.47924919686714906
Energy: 0.33892656595390286
Energy: 0.33855519807591333
Energy: 0.35548079742671884
Energy: 0.3393988141904948
Energy: 0.3651452568939754
Energy: 0.47507976391960766
Energy: 0.3397234082698664
Energy: 0.3395888262736618
Energy: 0.35403452169677263
Energy: 0.3404897348468672
Energy: 0.35156368622429673
Energy: 0.4752177352688451
Energy: 0.3357763403027804
Energy: 0.31220027604849343
Energy: 0.3529231272559285
Energy: 0.35561374463806217
Energy: 0.36040080851591844
Energy: 0.5333962150961017
Energy: 0.34762077908327227
Energy: 0.33813890716472256
Energy: 0.3430788741251785
Energy: 0.355583149771717
Energy: 0.3324680976087585
Energy: 0.3427150943711634
Energy: 0.3495485873877907
Energy: 0.35642461799939457
Energy: 0.34274557393542304
Energy: 0.3527602239299035
Energy: 0.34036570457905124
Energy: 0.3435448839250651
Energy: 0.33070247090124844
Energy: 0.3321320153638475
Energy: 0.3440592199502819
Energy: 0.3327133860144599
Energy: 0.34268748067729576
Energy: 0.34287494495249354
Energy: 0.3535856297982419
Energy: 0.36596059143205023
Energy: 0.34299265764770376
Energy: 0.3526061083418495
Energy: 0.3429789520020749
Energy: 0.5507007213959475
Energy: 0.3530189975117661
Energy: 0.3317447596579606
Energy: 0.34891357379014243
Energy: 0.3524014545153179
Energy: 0.3310363541980358
Energy: 0.5552372902913053
Energy: 0.34053715772803345
Energy: 0.3616700248683619
Energy: 0.3512574923110967
Energy: 0.3652087123202523
Energy: 0.3250155934287773
Energy: 0.5533661238919444
Energy: 0.3431806575753422
Energy: 0.3428862620734924
Energy: 0.35286270290866617
Energy: 0.34307470472819923
Energy: 0.3703496576677813
Energy: 0.5708040176734775
Energy: 0.34360846661713235
Energy: 0.3431170355390046
Energy: 0.3496115494295697
Energy: 0.3437518055861765
Energy: 0.3794675347416421
Energy: 0.6951408539714915
Energy: 0.34375099043759344
Energy: 0.4085179562945888
Energy: 0.357887265679285
Energy: 0.3437412606540471
Energy: 0.40828106446384044
Energy: 0.5624290893117467
Energy: 0.35761457006910985
Energy: 0.3481539290194181
Energy: 0.3498436880990237
Energy: 0.3499314799810533
Energy: 0.3574283880206192
Energy: 0.3393982776044248
Energy: 0.3541061271756838
Energy: 0.3544776425173423
Energy: 0.33925928278862416
Energy: 0.35535405990705793
Energy: 0.3276146313346749
Energy: 0.3399658191186183
Energy: 0.3191155498531902
Energy: 0.3289138542193596
Energy: 0.3401607722439641
Energy: 0.3519527403913719
Energy: 0.3389176030635348
Energy: 0.3392554798693858
Energy: 0.33918563456104595
Energy: 0.3391130260768858
Energy: 0.3392182785318728
Energy: 0.34822102430879
Energy: 0.3456656180530101
Energy: 0.432758457996507
Energy: 0.34876860090041634
Energy: 0.35863485736342954
Energy: 0.33973357730666875
Energy: 0.3598112451533449
Energy: 0.34432591347085467
Energy: 0.3615581624612122
Energy: 0.34114152167205813
Energy: 0.32239437778739055
Energy: 0.34687073433380916
Energy: 0.34119193889614735
Energy: 0.3441604373761275
Energy: 0.3611509477766801
Energy: 0.344922720744394
Energy: 0.3189987164026816
Energy: 0.34400063939594
Energy: 0.345051953224571
Energy: 0.30243474798764325
Energy: 0.35937874931861524
Energy: 0.34538154446770297
Energy: 0.3295701584343469
Energy: 0.31981009277195527
Energy: 0.34602451636086373
Energy: 0.32584671109683827
Energy: 0.6571084214602304
Energy: 0.337359201031823
Energy: 0.3462756794344704
Energy: 0.35233917099685813
Energy: 0.33993230904326216
Energy: 0.35464470894029976
Energy: 0.6603921902753902
Energy: 0.3387223982724945
Energy: 0.33831627492071786
Energy: 0.35514314539039665
Energy: 0.3390348216379867
Energy: 0.3387274646441109
Energy: 0.474403568985095
Energy: 0.3395225256636936
Energy: 0.33944722443991643
Energy: 0.35512180849766434
Energy: 0.34032756671929604
Energy: 0.3518271298148425
Energy: 0.4885704624465392
Energy: 0.31869136563376355
Energy: 0.3431036981195979
Energy: 0.3447838639168902
Energy: 0.3418667392387472
Energy: 0.3432722860401566
Energy: 0.47488012973659716
Energy: 0.3431006018497645
Energy: 0.33048907719257486
Energy: 0.3469713134995737
Energy: 0.3499563043040846
Energy: 0.3500690999191916
Energy: 0.408317597936433
Energy: 0.35429391635075885
Energy: 0.38010383032710676
Energy: 0.4228109893629331
Energy: 0.3577892574309314
Energy: 0.34448196335944653
Energy: 0.343577928459638
Energy: 0.33921736817324577
Energy: 0.33075172353703014
Energy: 0.34323635426384325
Energy: 0.3438976580956052
Energy: 0.34313484237570846
Energy: 0.3439633392910523
Energy: 0.34241742918505774
Energy: 0.331235693940987
Energy: 0.34392625559517404
Energy: 0.3565408472579304
Energy: 0.34323071547386674
Energy: 0.5276956899775268
Energy: 0.3534266454968174
Energy: 0.33172691832950263
Energy: 0.354362875543761
Energy: 0.3523049673862701
Energy: 0.35725250564438815
Energy: 0.5538401413930085
Energy: 0.343549721743842
Energy: 0.3739461033899045
Energy: 0.353375969560487
Energy: 0.34743780729290574
Energy: 0.33141192429074345
Energy: 0.5557635077903464
Energy: 0.34295748283400146
Energy: 0.3431392668263909
Energy: 0.35166122997988136
Energy: 0.34274578528469374
Energy: 0.3570635711915253
Energy: 0.458900308949602
Energy: 0.343473380675677
Energy: 0.34307601837654933
Energy: 0.33173951501857446
Energy: 0.3446387457769658
Energy: 0.3574002262022844
Energy: 0.6100682574748643
Energy: 0.34393014017262874
Energy: 0.3437097161649394
Energy: 0.35619296484446233
Energy: 0.3439497308663159
Energy: 0.3308134970334122
Energy: 0.6077917852395501
Energy: 0.343014408950609
Energy: 0.3513079657098643
Energy: 0.3542834890814257
Energy: 0.3432560232887888
Energy: 0.33899898676469786
Energy: 0.34030891658872076
Energy: 0.3516586692137052
Energy: 0.3551951393025622
Energy: 0.3460475702068057
Energy: 0.35320513111015434
Energy: 0.331132505549001
Energy: 0.3396765818279607
Energy: 0.3541897610361608
Energy: 0.3274378647411427
Energy: 0.34023949927410885
Energy: 0.3535707105186533
Energy: 0.31862163331378096
Energy: 0.3389765334266959
Energy: 0.32391287029644145
Energy: 0.32394129614024914
Energy: 0.3391372947171389
Energy: 0.3384092339926246
Energy: 0.31901499825544705
Energy: 0.5359615547400297
Energy: 0.33536127898545637
Energy: 0.4684017157985486
Energy: 0.5361313329402204
Energy: 0.3657761632883342
Energy: 0.378377841049143
Energy: 0.3598543971370868
Energy: 0.32340633053373674
Energy: 0.3203790951794889
Energy: 0.3392907989091939
Energy: 0.3214016332488246
Energy: 0.32067230569350985
Energy: 0.3604676443603206
Energy: 0.32217194455333575
Energy: 0.305377371465331
Energy: 0.344251133569582
Energy: 0.34628255747434517
Energy: 0.32417738822583014
Energy: 0.36175308685545465
Energy: 0.34515375521257713
Energy: 0.34646598778049553
Energy: 0.3228436284047174
Energy: 0.34480618858098555
Energy: 0.32987394627462
Energy: 0.6590989021430348
Energy: 0.33850126012285897
Energy: 0.32308566086108376
Energy: 0.35443568230175054
Energy: 0.33917644987539536
Energy: 0.3390500625558487

minimum gb energy = 0.30243474798764325 eV
minimum distance =  2.67277466939801 Angstroms
sigma value = 57


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

Energy: 0.13774461671807173
Energy: 0.4773045933564859
Energy: 0.18109192666361404
Energy: 0.1391752894700954
Energy: 0.47677532103029957
Energy: 0.13817453341157165
Energy: 0.19049753940390277
Energy: 0.14552215139718233
Energy: 0.14575378949384243
Energy: 0.1627139900968947
Energy: 0.14643749472966675
Energy: 0.14544206613086502
Energy: 0.18966702308575503
Energy: 0.16253910660082627
Energy: 0.16340883516561458
Energy: 0.16262030644791184
Energy: 0.16192776636361078
Energy: 0.16343410640502776
Energy: 0.18981405819744718
Energy: 0.16274222275564595
Energy: 0.16361676165163103
Energy: 0.16260038317960882
Energy: 0.16241787962119844
Energy: 0.16453818241923032
Energy: 0.1894108921151628
Energy: 0.13931861730235323
Energy: 0.15408276255049488
Energy: 0.16252964485224405
Energy: 0.13836905311987863
Energy: 0.14530008188578586
Energy: 0.16173939586407912
Energy: 0.1384789410163453
Energy: 0.13858681583965238
Energy: 0.14522157823942233
Energy: 0.13808725216558082
Energy: 0.15258461392387052
Energy: 0.16086079788257857
Energy: 0.14590774186236266
Energy: 0.14544400302377672
Energy: 0.16205437234449782
Energy: 0.1468235444720784
Energy: 0.14511997964393641
Energy: 0.1617446395256737
Energy: 0.18812507389682717
Energy: 0.18771132547260413
Energy: 0.16184413304667528
Energy: 0.1637130939703753
Energy: 0.16376423033657023
Energy: 0.1887066594901836
Energy: 0.16766905983356972
Energy: 0.14627175476830975
Energy: 0.16191288504777535
Energy: 0.1639155504715181
Energy: 0.16267444077251236
Energy: 0.13806283110615003
Energy: 0.167740001017726
Energy: 0.1531987008722916
Energy: 0.13802902983353366
Energy: 0.16371909216917233
Energy: 0.15270863198484075
Energy: 0.13789802036790152
Energy: 0.14574633148157698
Energy: 0.14550848118957724
Energy: 0.13814175518116034
Energy: 0.1464987445757085
Energy: 0.15400536409235252
Energy: 0.19057879136895897
Energy: 0.16268163645951017
Energy: 0.1653675704578037
Energy: 0.14605066459608224
Energy: 0.16252425435325987
Energy: 0.14554053424295385
Energy: 0.18968829292227976
Energy: 0.19076028856947244
Energy: 0.18842433088207974
Energy: 0.18949226846808823
Energy: 0.1894994335513841
Energy: 0.18833943804049436
Energy: 0.1894791767910565
Energy: 0.162478256565803
Energy: 0.1626756382866905
Energy: 0.1630169351262921
Energy: 0.16288281808660585
Energy: 0.1453580891145004
Energy: 0.14494129374347778
Energy: 0.13788553936503706
Energy: 0.13817829629068293
Energy: 0.14495950431761415
Energy: 0.14100971875235907
Energy: 0.1388118676666045
Energy: 0.16204866730421005
Energy: 0.1462796885838184
Energy: 0.15540402396439448
Energy: 0.14761242608417435
Energy: 0.13845340838245715
Energy: 0.145573145940188
Energy: 0.16181227274075083
Energy: 0.14724663091962237
Energy: 0.16783356796208473
Energy: 0.16190214190963123
Energy: 0.1633232296060161
Energy: 0.16328940763030636
Energy: 0.1897431809239255
Energy: 0.1641552740109732
Energy: 0.18769466849387395
Energy: 0.18989315180745278
Energy: 0.163758960858164
Energy: 0.16410277780933238
Energy: 0.13795365562613637
Energy: 0.1455325127813951
Energy: 0.14544304738583727
Energy: 0.13818695049339702
Energy: 0.1477816137549172
Energy: 0.1667892116597693

minimum gb energy = 0.13774461671807173 eV
minimum distance =  2.70860283441225 Angstroms
sigma value = 11


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

Energy: 0.6874964894730248
Energy: 0.6119353298226241
Energy: 0.3798101318662657
Energy: 0.3878311542798512
Energy: 0.6111741282243591
Energy: 0.3217692781040821
Energy: 0.39239397139394216
Energy: 0.3045861461934637
Energy: 0.3070807674308241
Energy: 0.305034759763446
Energy: 0.30012279902322414
Energy: 0.295684493792733
Energy: 0.2983504975624764
Energy: 0.29927607186288935
Energy: 0.30137602949155345
Energy: 0.29911608694230896
Energy: 0.3008827497908625
Energy: 0.30287101010084155
Energy: 0.2987229943461646
Energy: 0.3033124081453321
Energy: 0.3101291921232054
Energy: 0.29915095534412156
Energy: 0.29417945149789837
Energy: 0.3040888295140463
Energy: 0.2988334916490004
Energy: 0.30597729068175933
Energy: 0.2957284860945822
Energy: 0.3050388312472142
Energy: 0.3323774571453038
Energy: 0.303923886848306
Energy: 0.4046604337792619
Energy: 0.29412063856550036
Energy: 0.3033066978832068
Energy: 0.3195932768304369
Energy: 0.32818575414407575
Energy: 0.2933346046562607
Energy: 0.3922491953684268
Energy: 0.30934906244156773
Energy: 0.30235610827828185
Energy: 0.30170554087162804
Energy: 0.30285239449914175
Energy: 0.2948987261224755
Energy: 0.3343735245477048
Energy: 0.32245288306591496
Energy: 0.3193683551966989
Energy: 0.3201376292987956
Energy: 0.32046244789891803
Energy: 0.31915304025430935
Energy: 0.4079708472991731
Energy: 0.30163434860531374
Energy: 0.304280686356461
Energy: 0.3174365353569287
Energy: 0.3065485971580004
Energy: 0.3217069128001577
Energy: 0.5324174230677066
Energy: 0.3006221841437752
Energy: 0.29364386689217487
Energy: 0.31034320261321535
Energy: 0.2935457754992522
Energy: 0.30471419869945926
Energy: 0.5403994154348766
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Energy: 0.29375730208602086
Energy: 0.33211555851735947
Energy: 0.3048911646204398
Energy: 0.29550208261992034
Energy: 0.4364404319262061
Energy: 0.28544519268149077
Energy: 0.30637661483888856
Energy: 0.31621556640009485
Energy: 0.28178910801339113
Energy: 0.3204051368252201
Energy: 0.34295664880144194
Energy: 0.302742754508753
Energy: 0.3164989784428333
Energy: 0.32590483554251864
Energy: 0.2808558517421865
Energy: 0.3142633382038722
Energy: 0.33377326211591357
Energy: 0.3074179028036766
Energy: 0.3157001184454701
Energy: 0.3340257341323709
Energy: 0.3049170707372981
Energy: 0.3162382301883794
Energy: 0.33043114886843694
Energy: 0.42311632901349133
Energy: 0.42129516889896995
Energy: 0.33053756662374784
Energy: 0.4202857132560256
Energy: 0.3082878799255057
Energy: 0.532339830776499
Energy: 0.3085407027627691
Energy: 0.3149140676574583
Energy: 0.30388683867471983
Energy: 0.3233400620124532
Energy: 0.3165575291711218
Energy: 0.46607043753339295
Energy: 0.39192992797625825
Energy: 0.3109101657650289
Energy: 0.3522173224010462
Energy: 0.39224319716381384
Energy: 0.3075321953176406
Energy: 0.5280684052413164
Energy: 0.3074796821570469
Energy: 0.31662379065810603
Energy: 0.3283554103128763
Energy: 0.321003552534323
Energy: 0.32108677628512894
Energy: 0.4971684008393943
Energy: 0.31813138004242736
Energy: 0.314326719087771
Energy: 0.30690745842024597
Energy: 0.3344826074675445
Energy: 0.311210983783298
Energy: 0.3919364622898197
Energy: 0.43641568158264565
Energy: 0.3380177102567008
Energy: 0.30513799042036205
Energy: 0.3512510016188299
Energy: 0.34190291596180616
Energy: 0.5137613700173559
Energy: 0.3165832054009581
Energy: 0.30381805217485974
Energy: 0.295380465823504
Energy: 0.32292404040655726
Energy: 0.29329656664736353
Energy: 0.4305945970313289
Energy: 0.3991340539342784
Energy: 0.3967255557320084
Energy: 0.43029393920515535
Energy: 0.3891995195487755
Energy: 0.30587279053899985
Energy: 0.3079496461979338
Energy: 0.31391839872007504
Energy: 0.31046101025374767
Energy: 0.30682953198830193
Energy: 0.31697018967306856
Energy: 0.2965440060066828
Energy: 0.3107159296259511
Energy: 0.31795659353179473
Energy: 0.30027505041009467
Energy: 0.3118140171555465
Energy: 0.2986881733456538
Energy: 0.3082180644651018
Energy: 0.3969720529401152
Energy: 0.30233353798071927
Energy: 0.30362579020237057
Energy: 0.3054822064807483
Energy: 0.2989009828694576
Energy: 0.30119228427968797
Energy: 0.5340613897990882
Energy: 0.3124998342538994
Energy: 0.30328754837239014
Energy: 0.3367292678261875
Energy: 0.3067825654399192
Energy: 0.28700291978773784

minimum gb energy = 0.2808558517421865 eV
minimum distance =  2.67794838214919 Angstroms
sigma value = 41


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

Energy: 0.665876163436302
Energy: 0.33054061425014825
Energy: 0.414481843768895
Energy: 0.44124257536544803
Energy: 0.3307714586950541
Energy: 0.44082977281327806
Energy: 0.4611512779198423
Energy: 0.32627522222354116
Energy: 0.32720323070211704
Energy: 0.3302965187553359
Energy: 0.3323983664878751
Energy: 0.3264909854886556
Energy: 0.3306284850434396
Energy: 0.3275631509347178
Energy: 0.3167567601395225
Energy: 0.33274460302459613
Energy: 0.32872114251798845
Energy: 0.31646795286801493
Energy: 0.3312926410039817
Energy: 0.33605816402601557
Energy: 0.31700220215081093
Energy: 0.33196351397764984
Energy: 0.3175528533665477
Energy: 0.31874565234412294
Energy: 0.3311577969181857
Energy: 0.33423790801186687
Energy: 0.3311922975362041
Energy: 0.3395213555093814
Energy: 0.3429332190096102
Energy: 0.3242299398757217
Energy: 0.4767703515789618
Energy: 0.33052869700231463
Energy: 0.3338440357243057
Energy: 0.34050952660057415
Energy: 0.3305285026691696
Energy: 0.38910633121222904
Energy: 0.46549889067358846
Energy: 0.338145072298006
Energy: 0.32727481391394625
Energy: 0.3316384818969386
Energy: 0.33284480814435125
Energy: 0.32479238866177956
Energy: 0.3893253313836535
Energy: 0.36672429079366586
Energy: 0.36682345877590483
Energy: 0.3012605525770753
Energy: 0.36744353799497287
Energy: 0.2995062907129148
Energy: 0.4752043687873974
Energy: 0.3377745508013305
Energy: 0.3353915230482903
Energy: 0.33838455396566613
Energy: 0.3302362741143784
Energy: 0.3344766967039014
Energy: 0.46441994113967333
Energy: 0.3382239546037332
Energy: 0.34103013199458326
Energy: 0.33710426352798956
Energy: 0.33557862565470326
Energy: 0.3321997371318811
Energy: 0.4658295111569493
Energy: 0.3422332408407413
Energy: 0.340658285344038
Energy: 0.3365998045713519
Energy: 0.33801659491392466
Energy: 0.33668134429033186
Energy: 0.52874336694588
Energy: 0.31234324787274614
Energy: 0.33935061526435756
Energy: 0.33911397896874046
Energy: 0.3015978488063564
Energy: 0.3322646324683488
Energy: 0.32990693584935127
Energy: 0.3160433484919754
Energy: 0.34205392015303937
Energy: 0.3387727173612411
Energy: 0.3017284571756857
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Energy: 0.3266899459335888
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Energy: 0.3377081120432271
Energy: 0.32479720722116745
Energy: 0.36754009245246433
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Energy: 0.3672950484648083
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Energy: 0.3704629324507734
Energy: 0.3679851997864419
Energy: 0.4612826702921661
Energy: 0.3258716599588086
Energy: 0.32558974747058667
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Energy: 0.3315299148857126
Energy: 0.32825572254756835
Energy: 0.5729894279659922
Energy: 0.33120033722021786
Energy: 0.31691174684074236
Energy: 0.30570554730886035
Energy: 0.3251050169303437
Energy: 0.4356341242583257
Energy: 0.6122768219359663
Energy: 0.32516973956216094
Energy: 0.3255623083951243
Energy: 0.35326714960864203
Energy: 0.328257911088733
Energy: 0.3177062209313738
Energy: 0.33068630744431493
Energy: 0.32888665664776356
Energy: 0.3181859314775298
Energy: 0.33136323044506766
Energy: 0.33300519360327435
Energy: 0.31614601058038777
Energy: 0.3309815495732918
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Energy: 0.3172837125092772
Energy: 0.3325253321026433
Energy: 0.3336902112592854
Energy: 0.3183020706589095
Energy: 0.33050220142558834
Energy: 0.3153829460531406
Energy: 0.3251482810465303
Energy: 0.33847394483699966
Energy: 0.33091481090380354
Energy: 0.324056231749227
Energy: 0.4136895189281778
Energy: 0.40681606741052023
Energy: 0.4066386580643438
Energy: 0.41447214225514317
Energy: 0.406879837044548
Energy: 0.4066458077671889
Energy: 0.4666277117659233
Energy: 0.33989594087092717
Energy: 0.3259015542780582
Energy: 0.33907677521222296
Energy: 0.3302872168817848
Energy: 0.326731963982976
Energy: 0.3557621868697152
Energy: 0.37051226220234446
Energy: 0.37027286938480447
Energy: 0.35887612738633135
Energy: 0.3699260285473604
Energy: 0.2991862546628047
Energy: 0.46546561913243756
Energy: 0.33042098209085985
Energy: 0.32913534576425146
Energy: 0.33935046456122137
Energy: 0.33077964679764815
Energy: 0.32431939522297
Energy: 0.466602614740172
Energy: 0.3384998580097847
Energy: 0.3403240016859863
Energy: 0.3369527756723183
Energy: 0.33955669644921804
Energy: 0.33846609074446804
Energy: 0.4645087577555948
Energy: 0.33906816754113195
Energy: 0.33218915998766946
Energy: 0.3366756709048091
Energy: 0.3382685397308247
Energy: 0.3314761101934778
Energy: 0.6030987879771174
Energy: 0.3279037677534638
Energy: 0.3328294745664236
Energy: 0.33890724579012727
Energy: 0.31681477514828255
Energy: 0.3402144831544614
Energy: 0.38074066789599703
Energy: 0.43627150385243596
Energy: 0.4358570281668165
Energy: 0.3816098129813776
Energy: 0.4364612342108885
Energy: 0.43568052720918043
Energy: 0.3306241742808262
Energy: 0.3383467183116347
Energy: 0.3320314956311515
Energy: 0.33107977498468266
Energy: 0.339206762954165
Energy: 0.3334175978019918
Energy: 0.3668395563027542
Energy: 0.3319726479285988
Energy: 0.3675789919779582
Energy: 0.36762285382741106
Energy: 0.32916621863107554
Energy: 0.36744281484814273
Energy: 0.46246401959964106
Energy: 0.33018441908864915
Energy: 0.3250729282825845
Energy: 0.3474278708630589
Energy: 0.3315691797566438
Energy: 0.33000561958900565
Energy: 0.5759565786306967
Energy: 0.3372741211991712
Energy: 0.3171247636003703
Energy: 0.31328899111618413
Energy: 0.33727930200447653
Energy: 0.31735132689909634

minimum gb energy = 0.2991862546628047 eV
minimum distance =  2.67427541371858 Angstroms
sigma value = 33


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

Energy: 0.45250309088855606
Energy: 0.7055094162190997
Energy: 0.5427131322349353
Energy: 0.44976488964389866
Energy: 0.7039515060061575
Energy: 0.542771794192785
Energy: 0.5073054567041775
Energy: 0.3416940082256038
Energy: 0.3564850556604509
Energy: 0.3491538499508489
Energy: 0.3762729516018074
Energy: 0.3555670147122584
Energy: 0.3687983065477745
Energy: 0.339640355291114
Energy: 0.3350385357357583
Energy: 0.3692723387720807
Energy: 0.3385799382952208
Energy: 0.3345257907734574
Energy: 0.3673517675465
Energy: 0.3414983828397523
Energy: 0.33925026177123474
Energy: 0.3674974840825423
Energy: 0.34411823488356197
Energy: 0.3396308350497711
Energy: 0.3747167281378836
Energy: 0.34296971951201577
Energy: 0.3502217145104012
Energy: 0.3854656405954722
Energy: 0.34406385571291187
Energy: 0.3546435533567809
Energy: 0.4181165600655465
Energy: 0.3533903849003344
Energy: 0.34479450928082506
Energy: 0.39510737522302575
Energy: 0.3443488334492945
Energy: 0.34581429141437775
Energy: 0.5371821434203221
Energy: 0.3511621429343236
Energy: 0.3495769289707455
Energy: 0.36937939420587934
Energy: 0.34927056343341
Energy: 0.3549858438291512
Energy: 0.4525400077698026
Energy: 0.4334424334533709
Energy: 0.3216410127216407
Energy: 0.3241705070934334
Energy: 0.4325359936166703
Energy: 0.322521526008386
Energy: 0.40415381155679453
Energy: 0.34858139359564494
Energy: 0.35137716593188956
Energy: 0.35662982096384976
Energy: 0.3352311601496708
Energy: 0.35016206072673606
Energy: 0.5373824039669745
Energy: 0.343392985046731
Energy: 0.35195736177890885
Energy: 0.3689798390848175
Energy: 0.3426712121689577
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Energy: 0.5409911602167548
Energy: 0.353120808350315
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Energy: 0.35191159621334195
Energy: 0.3409414657794035
Energy: 0.48536506137500596
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Energy: 0.3461307355221903
Energy: 0.3717393943186117
Energy: 0.33515031048406363
Energy: 0.37913230812157284
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Energy: 0.33199990462349926
Energy: 0.3320795839508169
Energy: 0.3683552455283068
Energy: 0.3271970170399699
Energy: 0.3611509935871527
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Energy: 0.34178352980672033
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Energy: 0.3217709817662793
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Energy: 0.34098023595595184
Energy: 0.3691008208259321
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Energy: 0.5388440473305662
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Energy: 0.3693850508054768
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Energy: 0.3492631190711432
Energy: 0.3672469577960102
Energy: 0.32525579015565426
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Energy: 0.35440519580089397
Energy: 0.4082642158219011
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Energy: 0.3421889929396714
Energy: 0.3255936391462681
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Energy: 0.4520988158264241
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Energy: 0.3213018833731671
Energy: 0.33823283784561037
Energy: 0.3578698561497881
Energy: 0.34991274451457566
Energy: 0.3386531487782724
Energy: 0.3564624948350174
Energy: 0.3494061952088685
Energy: 0.43224263187299666
Energy: 0.34192458407236026
Energy: 0.34125846184439024
Energy: 0.43238089301684035
Energy: 0.3490388239748601
Energy: 0.340903867924204
Energy: 0.5047614011166991
Energy: 0.35570617331868726
Energy: 0.35572839726953415
Energy: 0.33989387331387855
Energy: 0.37110943099421967
Energy: 0.36746717410976065
Energy: 0.6705217346874952
Energy: 0.3403069821409587
Energy: 0.3335459916257984
Energy: 0.3253091182601547
Energy: 0.4860401098520937
Energy: 0.3603236195348094

minimum gb energy = 0.3212333524959427 eV
minimum distance =  2.66449720904383 Angstroms
sigma value = 67


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

Energy: 0.5492067659192915
Energy: 0.5806044940472997
Energy: 0.33930407541372
Energy: 0.3400232181158447
Energy: 0.582803254293543
Energy: 0.3389846838968031
Energy: 0.3967960132537625
Energy: 0.3656263337711697
Energy: 0.36609300824786145
Energy: 0.3646205652884985
Energy: 0.36646728616016216
Energy: 0.3656764134062338
Energy: 0.40340518667891906
Energy: 0.33250567839979384
Energy: 0.3561017197569864
Energy: 0.3552640306336301
Energy: 0.33324462493561957
Energy: 0.35568297089233364
Energy: 0.40385551374880096
Energy: 0.3571347619447713
Energy: 0.35591499579246627
Energy: 0.3598914211503241
Energy: 0.3554023164943576
Energy: 0.3559142508552529
Energy: 0.39662133516448267
Energy: 0.3679883872929948
Energy: 0.36714205253894866
Energy: 0.39711842300949834
Energy: 0.35917642286877066
Energy: 0.3660996552276553
Energy: 0.3973132619056468
Energy: 0.3444706091361578
Energy: 0.36588556705022807
Energy: 0.39777178795542495
Energy: 0.34144896581219175
Energy: 0.36653606597903704
Energy: 0.45038592061831934
Energy: 0.36583049369848397
Energy: 0.3669916616534895
Energy: 0.33427626262391263
Energy: 0.3660243582863686
Energy: 0.36628205445322076

minimum gb energy = 0.33250567839979384 eV
minimum distance =  2.71108692444506 Angstroms
sigma value = 3


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

Energy: 0.7370372502670032
Energy: 0.667785692781246
Energy: 0.4562475174066973
Energy: 0.41807224826021766
Energy: 0.6654648594143896
Energy: 0.4574456349889178
Energy: 0.38910651166296656
Energy: 0.4544900625771119
Energy: 0.39102911329762796
Energy: 0.39300372354494306
Energy: 0.477661621545318
Energy: 0.3901526510403652
Energy: 0.39108605983898714
Energy: 0.3874444469902723
Energy: 0.38744718176342474
Energy: 0.39007326523771035
Energy: 0.38940543299755703
Energy: 0.3894554287298268
Energy: 0.39106615723322663
Energy: 0.38883646048572756
Energy: 0.38898244730321446
Energy: 0.3918370769262723
Energy: 0.3868395196951786
Energy: 0.38886796462098616
Energy: 0.39635430323803034
Energy: 0.3915361952899483
Energy: 0.3915860723633146
Energy: 0.3977001710369416
Energy: 0.39200442268891905
Energy: 0.3898912592231318
Energy: 0.43072471771873494
Energy: 0.39117053115691724
Energy: 0.3914191995011396
Energy: 0.4497544860434789
Energy: 0.41306606478630203
Energy: 0.39165036392639113
Energy: 0.39156589916197604
Energy: 0.45425473255021986
Energy: 0.4528524055986039
Energy: 0.39639435315453414
Energy: 0.4673610128757723
Energy: 0.4228337642098657
Energy: 0.6793218650110393
Energy: 0.44107395513290343
Energy: 0.4858625295442555
Energy: 0.3899164354380848
Energy: 0.44466692715389106
Energy: 0.44155971292229385
Energy: 0.4364546760500915
Energy: 0.45312191892191983
Energy: 0.421830232294729
Energy: 0.4413453933889584
Energy: 0.46738324562542827
Energy: 0.42391907932581274
Energy: 0.49869901596953947
Energy: 0.39036902542514385
Energy: 0.40311532035993636
Energy: 0.49236976812189454
Energy: 0.39023789846989826
Energy: 0.3858504641695505
Energy: 0.460605377993034
Energy: 0.4155017207834194
Energy: 0.4127743228259646
Energy: 0.45839968668950015
Energy: 0.40944145356398587
Energy: 0.45515445862125087
Energy: 0.4812806628523753
Energy: 0.39264306708241575
Energy: 0.39152805118583817
Energy: 0.4263186377429865
Energy: 0.4346006758385464
Energy: 0.3911952996354811
Energy: 0.4489951234376167
Energy: 0.395710658902498
Energy: 0.3905519307597608
Energy: 0.39283115673830954
Energy: 0.39569678680165327
Energy: 0.391320945766745
Energy: 0.5072677507269576
Energy: 0.3949900336027734
Energy: 0.39166002362909225
Energy: 0.4203244725434095
Energy: 0.39237228147099457
Energy: 0.3913703228686638
Energy: 0.479959398148425
Energy: 0.39158012952096977
Energy: 0.39165710657519176
Energy: 0.3896823447362287
Energy: 0.39193313321685164
Energy: 0.4555804033433916
Energy: 0.5232734485415397
Energy: 0.3951588814778449
Energy: 0.3915823875017556
Energy: 0.4603176054574639
Energy: 0.406782947345674
Energy: 0.3908430346877353
Energy: 0.5162086922720314
Energy: 0.42659938801398833
Energy: 0.4265798096968592
Energy: 0.49301187739393315
Energy: 0.3874176354861805
Energy: 0.45657514666061016
Energy: 0.4991487117947129
Energy: 0.4241791650252963
Energy: 0.415260927389631
Energy: 0.49760527094086165
Energy: 0.42798184335597733
Energy: 0.4247288298362894
Energy: 0.5411947230134059
Energy: 0.4134576168398295
Energy: 0.4172327831566403
Energy: 0.3894005424640848
Energy: 0.46702166748220564
Energy: 0.3899342851843349
Energy: 0.5021019690076217
Energy: 0.41421747248926827
Energy: 0.4177983791914503
Energy: 0.3895521169372969
Energy: 0.4176833715433824
Energy: 0.40289646980510524
Energy: 0.43970357567847135
Energy: 0.42047063265232754
Energy: 0.42051402711890723
Energy: 0.449169938692012
Energy: 0.4183026975812961
Energy: 0.41450516472180776
Energy: 0.4243695001928639
Energy: 0.45359250082902774
Energy: 0.442177394287578
Energy: 0.43303730978075766
Energy: 0.44185514551279353
Energy: 0.44312886639101945
Energy: 0.42220405932086114
Energy: 0.41403452172769845
Energy: 0.43314698119482525
Energy: 0.4238654447072748
Energy: 0.4111343845461237
Energy: 0.43754238023191666
Energy: 0.4232913451586562
Energy: 0.38992256908526385
Energy: 0.3907047124602696
Energy: 0.42278834938061827
Energy: 0.3902710854241235
Energy: 0.4224785587712526
Energy: 0.3882849109674556
Energy: 0.38494394941377813
Energy: 0.38401050908124124
Energy: 0.4344057527259066
Energy: 0.46446068847696376
Energy: 0.38444806452023006
Energy: 0.6670660899140413
Energy: 0.39568437045930416
Energy: 0.4756484878597089
Energy: 0.3831051169092406
Energy: 0.46598603211344297
Energy: 0.3975027103307362
Energy: 0.5626138926327492
Energy: 0.39562465536588876
Energy: 0.47481542992372294
Energy: 0.3829793876631952
Energy: 0.49415956081799634
Energy: 0.4241089703401194
Energy: 0.38924787210098244
Energy: 0.38448990738180394
Energy: 0.3842780171260637
Energy: 0.4109643127171568
Energy: 0.3843612368460865
Energy: 0.38408519048606954
Energy: 0.39636908776853313
Energy: 0.3893630766941543
Energy: 0.38881497263359005
Energy: 0.40234650100922303
Energy: 0.38838147225161496
Energy: 0.39940238270078343
Energy: 0.39728727845522993
Energy: 0.4126510272505421
Energy: 0.4105567707174562
Energy: 0.39814542149348076
Energy: 0.42852982261487854
Energy: 0.4014902713756673
Energy: 0.40064203052117475
Energy: 0.4137387073555898
Energy: 0.40596604132554703
Energy: 0.40633037220970064
Energy: 0.4136515610002828
Energy: 0.40657490077933967
Energy: 0.4026034655816072
Energy: 0.4177923599452897
Energy: 0.4134018427972308
Energy: 0.4124923591981019
Energy: 0.46267866470119545
Energy: 0.4098018863608379
Energy: 0.6418124764732626
Energy: 0.4519438426974244
Energy: 0.4111035240392929
Energy: 0.3883242173802911
Energy: 0.449072803187948
Energy: 0.4258187187836807
Energy: 0.5509922444650251
Energy: 0.4478408904969361
Energy: 0.41659773963288915
Energy: 0.3882498671788691
Energy: 0.48352902959823707
Energy: 0.4252213927735568
Energy: 0.42417529984633984
Energy: 0.41517887589449926
Energy: 0.40972471145251177
Energy: 0.4507735214835434
Energy: 0.4170710374641063
Energy: 0.4224439081924809
Energy: 0.4663582208963726
Energy: 0.4035211481563879
Energy: 0.4032553492167452
Energy: 0.46310670286344174
Energy: 0.3904517664735025
Energy: 0.42455401332781745
Energy: 0.47443769017341986
Energy: 0.39396478162183646
Energy: 0.3944277627898726
Energy: 0.4556591662296764
Energy: 0.43043281423203256
Energy: 0.4431886855981905
Energy: 0.4505570792459738
Energy: 0.44645423340572404
Energy: 0.4476945640775388
Energy: 0.39311058421555395
Energy: 0.418528801319699
Energy: 0.4293599998606053
Energy: 0.43804545684464197
Energy: 0.3956600389878807
Energy: 0.39313438301119336
Energy: 0.4171861075688255
Energy: 0.3939792674233184
Energy: 0.39310972105201136
Energy: 0.49888475078337363
Energy: 0.3921214814905845
Energy: 0.3923764530228888
Energy: 0.3893984407133127
Energy: 0.39872093230086725
Energy: 0.39242029715827653
Energy: 0.5125373949503133
Energy: 0.39350697366889276
Energy: 0.3903653416979552
Energy: 0.4298689020970803
Energy: 0.41122314966713264
Energy: 0.38998352145088355
Energy: 0.5136216310247165
Energy: 0.4397729665249762
Energy: 0.4403208829089516
Energy: 0.5005909862060915
Energy: 0.386704982480474
Energy: 0.3947597122573148
Energy: 0.5316654277072211
Energy: 0.3864911954314128
Energy: 0.4258811132338546
Energy: 0.5210030196686127
Energy: 0.38641008894265244
Energy: 0.3931896211866729
Energy: 0.5562870811461286
Energy: 0.41896923043030065
Energy: 0.4047998759248862
Energy: 0.4272060757762811
Energy: 0.41611638867680056
Energy: 0.3912555569195795
Energy: 0.6479707159972564
Energy: 0.4145366352993002
Energy: 0.4188544246312072
Energy: 0.40528861559191354
Energy: 0.4150771849447951
Energy: 0.41858108141536987
Energy: 0.41896236072160264
Energy: 0.42102737856805894
Energy: 0.4236775847195943
Energy: 0.3959047519887963
Energy: 0.41780868545060046
Energy: 0.4222040323856752
Energy: 0.4168236989144115
Energy: 0.4455478532673724
Energy: 0.44650164468971504
Energy: 0.4387829270706907
Energy: 0.4215226452106909
Energy: 0.4455713520412238
Energy: 0.42788368286951256
Energy: 0.417964314457983
Energy: 0.4079530117874517
Energy: 0.42759316067923003
Energy: 0.440306119143986
Energy: 0.41088485036702865
Energy: 0.4157418519499547
Energy: 0.38882963783654767
Energy: 0.38965151866618786
Energy: 0.4175315775462096
Energy: 0.38871597752972287
Energy: 0.4152156433695642
Energy: 0.4493859161768484
Energy: 0.38913127672263415
Energy: 0.38943050271543617
Energy: 0.4325272373365213
Energy: 0.3889722093733396
Energy: 0.3895124327649602
Energy: 0.459325579664404
Energy: 0.45239598021746874
Energy: 0.39272973995555077
Energy: 0.4163542368518254
Energy: 0.4759140503905448
Energy: 0.4165300718962413

minimum gb energy = 0.3829793876631952 eV
minimum distance =  2.59545879683233 Angstroms
sigma value = 81


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

Energy: 0.8944411070459333
Energy: 0.44581301758131336
Energy: 0.4437238458085091
Energy: 0.44701615546732903
Energy: 0.4456471454605261
Energy: 0.46075568676435347
Energy: 0.4569975145582983
Energy: 0.403207794733919
Energy: 0.41265695038914635
Energy: 0.4011952219501845
Energy: 0.40214264694112745
Energy: 0.41256667406091485
Energy: 0.45694317243927646
Energy: 0.42324293439260485
Energy: 0.4238490246225795
Energy: 0.44468700932764366
Energy: 0.4058878051346009
Energy: 0.43758419608714605
Energy: 0.443030274546764
Energy: 0.4220927199032069
Energy: 0.4594171865046776
Energy: 0.4425628525753748
Energy: 0.40653995491433037
Energy: 0.42699342482145575
Energy: 0.438494788753256
Energy: 0.44319869282890234
Energy: 0.43375517762919824
Energy: 0.4334090875075257
Energy: 0.4496159581741521
Energy: 0.43371387739642236
Energy: 0.47188075483029374
Energy: 0.43529338858190886
Energy: 0.4391137675083854
Energy: 0.4796898887574434
Energy: 0.4405128527786119
Energy: 0.4392711921293983
Energy: 0.4327958322585261
Energy: 0.44628699318672527
Energy: 0.443053540177459
Energy: 0.4234805616978059
Energy: 0.4580087518314477
Energy: 0.4421626959970747
Energy: 0.7026055337293242
Energy: 0.4654880644143986
Energy: 0.5537864526781701
Energy: 0.390356739356051
Energy: 0.4379212030219874
Energy: 0.40758508451313114
Energy: 0.47014487904584085
Energy: 0.42343474803341025
Energy: 0.42557005972276885
Energy: 0.4347543884650462
Energy: 0.42615988086718215
Energy: 0.42410683825993045
Energy: 0.47209059522989544
Energy: 0.4281519680601925
Energy: 0.42806339396991927
Energy: 0.4748157228933918
Energy: 0.428082240867611
Energy: 0.4279599045478192
Energy: 0.45776453610032414
Energy: 0.42680990911049305
Energy: 0.42719674906137484
Energy: 0.4300543640880093
Energy: 0.42551131782148394
Energy: 0.4268161602912749
Energy: 0.46848905491766135
Energy: 0.4419084540649476
Energy: 0.44137488251037144
Energy: 0.4090902592872074
Energy: 0.4412122284898229
Energy: 0.442562636979858
Energy: 0.4571233434266198
Energy: 0.41242660702193823
Energy: 0.45281674942031175
Energy: 0.4225806514322577
Energy: 0.4258831741161536
Energy: 0.4241263590429022
Energy: 0.44548147463511534
Energy: 0.4409563838481819
Energy: 0.4120889904018392
Energy: 0.4230212514239641
Energy: 0.4288332773814826
Energy: 0.4120747077141911
Energy: 0.5887245932225216
Energy: 0.45047718019703453
Energy: 0.4421028683563509
Energy: 0.4456167589026068
Energy: 0.4469458687266908
Energy: 0.44283016971078387
Energy: 0.450758388059525
Energy: 0.4434957386607213
Energy: 0.44247757042673647
Energy: 0.4431199024886512
Energy: 0.4421026705679319
Energy: 0.4435201732024962
Energy: 0.5274624235248705
Energy: 0.389900828113592
Energy: 0.3897151981543838
Energy: 0.47128539592346586
Energy: 0.39011167028001836
Energy: 0.40785398397472006
Energy: 0.5340422581940347
Energy: 0.45453362634515615
Energy: 0.45433355473306125
Energy: 0.4827212362427564
Energy: 0.43866030719295873
Energy: 0.45169781255185965
Energy: 0.47714955352541766
Energy: 0.47628486628766203
Energy: 0.4348480224780727
Energy: 0.42894033922124236
Energy: 0.46459010239033194
Energy: 0.4196120513438574
Energy: 0.5226022665697951
Energy: 0.47894418295050506
Energy: 0.43359125554066913
Energy: 0.4271219675887326
Energy: 0.46396047387857225
Energy: 0.3813415468498245
Energy: 0.47405882546222583
Energy: 0.4533599775321003
Energy: 0.45361213861530214
Energy: 0.44589379484851643
Energy: 0.4327458817871049
Energy: 0.45173158408825
Energy: 0.44566462303474563
Energy: 0.4255472199548586
Energy: 0.4253473278939033
Energy: 0.44269794528382556
Energy: 0.4255539402390551
Energy: 0.4256770210947517
Energy: 0.4357564552656459
Energy: 0.46436746331587764
Energy: 0.43456510472289617
Energy: 0.4341916912792261
Energy: 0.4477588515757875
Energy: 0.4355178035550202
Energy: 0.43051860656965857
Energy: 0.4461343162572685
Energy: 0.44578166867562746
Energy: 0.43472935974272353
Energy: 0.47110631798269964
Energy: 0.44059785276190333
Energy: 0.4438219614861256
Energy: 0.43455965679878983
Energy: 0.43238749799410076
Energy: 0.43094101855934014
Energy: 0.4418429078951996
Energy: 0.43123617988227175
Energy: 0.6481835029632524
Energy: 0.44106639107746154
Energy: 0.45859341444506513
Energy: 0.38936617921875877
Energy: 0.44529601583616846
Energy: 0.43545222636573777
Energy: 0.494107121171782
Energy: 0.45569627798302165
Energy: 0.42321235209712044
Energy: 0.3893231858257101
Energy: 0.45912519061519136
Energy: 0.4256988252855057
Energy: 0.45178812251122896
Energy: 0.4264318300441344
Energy: 0.4281631592681806
Energy: 0.43288112927348776
Energy: 0.42879368621380015
Energy: 0.42750161035372236
Energy: 0.4630384129714728
Energy: 0.4281399580326597
Energy: 0.42778316327343974
Energy: 0.4630550165559027
Energy: 0.42767039437668414
Energy: 0.42735767336409003
Energy: 0.4765425832556058
Energy: 0.450667719760578
Energy: 0.4242394302390257
Energy: 0.43102826169921826
Energy: 0.4185650431160442
Energy: 0.42322516856324965
Energy: 0.45467707306370797
Energy: 0.44211668427564016
Energy: 0.4424277256188251
Energy: 0.4234582743905352
Energy: 0.5110033665257613
Energy: 0.42369905421669996
Energy: 0.4354684086743558
Energy: 0.43390708414488993
Energy: 0.4092679859308078
Energy: 0.426338689867442
Energy: 0.434030518073731
Energy: 0.4402047711046871
Energy: 0.5207254689434051
Energy: 0.3805374218153162
Energy: 0.4418185039157142
Energy: 0.44481282802924316
Energy: 0.44327110356099014
Energy: 0.4407510741732603
Energy: 0.5161890750796523
Energy: 0.45127055404589955
Energy: 0.4570440789567785
Energy: 0.44643446412901944
Energy: 0.4592005302946018
Energy: 0.4449085046880852
Energy: 0.5185288219518259
Energy: 0.4101155788421395
Energy: 0.44566694684974906
Energy: 0.47936412914006504
Energy: 0.38895832781989687
Energy: 0.4427190497299259
Energy: 0.5280982763386085
Energy: 0.3898268874272543
Energy: 0.3897883234439705
Energy: 0.47738301339056927
Energy: 0.38992856303524126
Energy: 0.5181302921270334
Energy: 0.5138209342344784
Energy: 0.41343174889502643
Energy: 0.4128603757599004
Energy: 0.41470778534988734
Energy: 0.4020690237028719
Energy: 0.4119759058378685
Energy: 0.5597071321696664
Energy: 0.44994670989638413
Energy: 0.44515072734881933
Energy: 0.3981246791902131
Energy: 0.45011379597137857
Energy: 0.456830591368254

minimum gb energy = 0.3805374218153162 eV
minimum distance =  2.61521568810409 Angstroms
sigma value = 43


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

Energy: 0.7873797905399292
Energy: 0.5145488740527028
Energy: 0.4579238930051234
Energy: 0.4147860729689808
Energy: 0.5129506717647181
Energy: 0.41475493818737924
Energy: 0.385344119723386
Energy: 0.4368827302004429
Energy: 0.4291286389058829
Energy: 0.3856148153382723
Energy: 0.44783842684851133
Energy: 0.3908883363214412
Energy: 0.3852318824226168
Energy: 0.3726424434320251
Energy: 0.37253211011228793
Energy: 0.3852122455732209
Energy: 0.3722444770636706
Energy: 0.38637722309489175
Energy: 0.3849359296552891
Energy: 0.371673224270372
Energy: 0.38507587801846194
Energy: 0.3850448415378079
Energy: 0.3783396208048218
Energy: 0.38496285954480175
Energy: 0.39595922623479696
Energy: 0.4531057443167943
Energy: 0.42767062286649515
Energy: 0.3922837402600356
Energy: 0.4522662629893247
Energy: 0.4234729455928446
Energy: 0.39308843476769006
Energy: 0.4228106064214241
Energy: 0.45292167005035544
Energy: 0.45235412910986766
Energy: 0.392909082103894
Energy: 0.45235307332077385
Energy: 0.4054330303606814
Energy: 0.3926376357257927
Energy: 0.3936912447377208
Energy: 0.4226415326136127
Energy: 0.3849414868573818
Energy: 0.39400398876914666
Energy: 0.4858383636689109
Energy: 0.38664069897020964
Energy: 0.38624328067277813
Energy: 0.37333370998902615
Energy: 0.3855686300118504
Energy: 0.40960284827712895
Energy: 0.4092934357806888
Energy: 0.38517208999340596
Energy: 0.3850613377633641
Energy: 0.4157820551576782
Energy: 0.3852229664357529
Energy: 0.3849939157947546
Energy: 0.5309025710829903
Energy: 0.3853118793593447
Energy: 0.423094532917335
Energy: 0.5315844405867707
Energy: 0.3845564712121468
Energy: 0.4221500261300617
Energy: 0.4478575611170896
Energy: 0.4068544388664353
Energy: 0.39092561955828764
Energy: 0.398855476525387
Energy: 0.4238209957462543
Energy: 0.42491096389143096
Energy: 0.48536140043562426
Energy: 0.38544983054536197
Energy: 0.38526201720774367
Energy: 0.4082174799144251
Energy: 0.3856065617747165
Energy: 0.3851192058196555
Energy: 0.521636729174094
Energy: 0.3861294127615827
Energy: 0.3983509295235144
Energy: 0.37159401950441906
Energy: 0.42039979902068486
Energy: 0.39834465411336445
Energy: 0.3770302575841451
Energy: 0.3944081511806725
Energy: 0.4346045566265149
Energy: 0.39343822783133714
Energy: 0.41611214061562934
Energy: 0.41092863495413157
Energy: 0.38108027008610085
Energy: 0.44982946995785045
Energy: 0.4503854061366272
Energy: 0.3808549934901462
Energy: 0.4509525925989855
Energy: 0.4511982295510497
Energy: 0.3765243717510215
Energy: 0.3770565265959502
Energy: 0.37759799552344764
Energy: 0.3777220469806284
Energy: 0.38812047753144974
Energy: 0.37644282014910574
Energy: 0.3736862160400194
Energy: 0.37398611282161115
Energy: 0.37365009260075266
Energy: 0.37383422614874984
Energy: 0.44653118056818414
Energy: 0.37372146854878024
Energy: 0.37361268145688076
Energy: 0.40792114861682743
Energy: 0.37342679460169276
Energy: 0.3739999045831325
Energy: 0.43010547195006604
Energy: 0.37369547023418126
Energy: 0.4755986261103108
Energy: 0.3737767569085916
Energy: 0.3737981068172754
Energy: 0.4228065871339548
Energy: 0.4781417689887244
Energy: 0.3845924964417369
Energy: 0.5468482488919564
Energy: 0.40442241938073364
Energy: 0.3737163720384915
Energy: 0.3838147565356803
Energy: 0.4298512192251447
Energy: 0.3849024336298951
Energy: 0.3734866992728547
Energy: 0.408452942610477
Energy: 0.40801690722169065
Energy: 0.42884456219277833
Energy: 0.4249374993821341
Energy: 0.4084101969518143
Energy: 0.48707536799336576
Energy: 0.3993444052587978
Energy: 0.4398067555689855
Energy: 0.472139991706937
Energy: 0.37061152723992213
Energy: 0.4398607141109364
Energy: 0.435884108126771
Energy: 0.3737423812232709
Energy: 0.40825460763076266
Energy: 0.4361479256863426
Energy: 0.3734836197627252
Energy: 0.4301304947784684
Energy: 0.4500628002690688
Energy: 0.37360097206059045
Energy: 0.373609366613907
Energy: 0.3740259547116258
Energy: 0.4454243035419315
Energy: 0.3736325072353006
Energy: 0.456428301808852
Energy: 0.373023039805732
Energy: 0.3733612371420241
Energy: 0.42154875500683753
Energy: 0.37352339277167695
Energy: 0.37312511923840475
Energy: 0.4292042402698717
Energy: 0.37686393930491535
Energy: 0.3810709136594657
Energy: 0.41806288081118376
Energy: 0.37704329765715194
Energy: 0.381067859363421
Energy: 0.4293335868532577
Energy: 0.44551879691128954
Energy: 0.44536666032814054
Energy: 0.393458802984771
Energy: 0.41806179764311063
Energy: 0.41984018311782817
Energy: 0.4225171684839364
Energy: 0.42985848786849984
Energy: 0.4249381808849115
Energy: 0.42353093710462936
Energy: 0.3770969629359438
Energy: 0.39085151771818694
Energy: 0.4345392637869818
Energy: 0.3860314854758029
Energy: 0.3859498172435108
Energy: 0.429127331516471
Energy: 0.3735875344256101
Energy: 0.38595857231857467
Energy: 0.3850491367699741
Energy: 0.43652667855293
Energy: 0.42503568453149565
Energy: 0.4090305354175193
Energy: 0.4490358644520255
Energy: 0.3853212824793942
Energy: 0.6674148045106341
Energy: 0.4392025862746608
Energy: 0.4112926298689341
Energy: 0.39858740775855356
Energy: 0.43602185197292836
Energy: 0.4465951632292904

minimum gb energy = 0.37061152723992213 eV
minimum distance =  2.59310837138894 Angstroms
sigma value = 57


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

Energy: 0.6563427155857695
Energy: 0.4638627266584553
Energy: 0.44665422965294427
Energy: 0.46143820762495913
Energy: 0.4639378693729652
Energy: 0.45205516049433964
Energy: 0.4328172051925597
Energy: 0.4216643054411439
Energy: 0.44517586824253325
Energy: 0.39605781117467326
Energy: 0.42258428697569306
Energy: 0.3935594856189742
Energy: 0.4256430398715863
Energy: 0.3609983998722522
Energy: 0.3614617719067757
Energy: 0.49159786029055563
Energy: 0.359979477187472
Energy: 0.3598145225962962
Energy: 0.39665075355776114
Energy: 0.3605222233748754
Energy: 0.3608174176148662
Energy: 0.3972240865316266
Energy: 0.3778187358305909
Energy: 0.39457064759214494
Energy: 0.3937012046729464
Energy: 0.4624323824539556
Energy: 0.38948624017446665
Energy: 0.38903845572986595
Energy: 0.46088261745239806
Energy: 0.3988378959167598
Energy: 0.3607876489858447
Energy: 0.38949237859135083
Energy: 0.3885741481431846
Energy: 0.4393484606101519
Energy: 0.38864213059848324
Energy: 0.3890604065148624
Energy: 0.5221477711465827
Energy: 0.40133629151242506
Energy: 0.4015410105903876
Energy: 0.3382666309132981
Energy: 0.4035486663844094
Energy: 0.40180965110065
Energy: 0.3950697128389192
Energy: 0.4055351419326264
Energy: 0.44957998783206876
Energy: 0.3613464609707143
Energy: 0.4062220357278826
Energy: 0.4028029363896679
Energy: 0.3984160151097201
Energy: 0.43061250062973794
Energy: 0.40232422950432284
Energy: 0.3411845140100611
Energy: 0.43018591566234
Energy: 0.3903306019086978
Energy: 0.5250072585826352
Energy: 0.397464490459245
Energy: 0.397981261411963
Energy: 0.44507359266805185
Energy: 0.3973388692459021
Energy: 0.39718760236854733
Energy: 0.3373332710212959
Energy: 0.3956796742331267
Energy: 0.4195969203927555
Energy: 0.33818710050500883
Energy: 0.36135382274870353
Energy: 0.3373317581231665
Energy: 0.33749374396381643
Energy: 0.40992825213746464
Energy: 0.4097350654662105
Energy: 0.3379033950527962
Energy: 0.41232221407954744
Energy: 0.4097317729525411
Energy: 0.3386571152197343
Energy: 0.4106139341884687
Energy: 0.4107236778805
Energy: 0.4453578954982912
Energy: 0.41052954745938003
Energy: 0.4109183044974978
Energy: 0.3372348581604575
Energy: 0.41902696829503566
Energy: 0.39766381600576733
Energy: 0.33798442238090654
Energy: 0.4114966764948845
Energy: 0.39578005939127187
Energy: 0.39616345830240574
Energy: 0.4537953616983097
Energy: 0.45391893571880715
Energy: 0.4018564888538079
Energy: 0.4536553070270571
Energy: 0.4542097360421744
Energy: 0.3954313485479697
Energy: 0.4052242009510246
Energy: 0.3391230355971916
Energy: 0.3379284124953405
Energy: 0.4055812499433456
Energy: 0.33794690839835645
Energy: 0.39641316112849334
Energy: 0.4491807012610993
Energy: 0.45720537332892974
Energy: 0.3377643365766991
Energy: 0.44904156562411873
Energy: 0.45722128794459627
Energy: 0.39665599784544586
Energy: 0.43076210911412605
Energy: 0.383204701227911
Energy: 0.33758539514948105
Energy: 0.4037173474897589
Energy: 0.38252144533044635
Energy: 0.39204435828115225
Energy: 0.4080605210201362
Energy: 0.40767060113358866
Energy: 0.34159682903992095
Energy: 0.4081913838041193
Energy: 0.4077572170405742
Energy: 0.3922625520173843
Energy: 0.4103048003225979
Energy: 0.40938643072194636
Energy: 0.3898479480476366
Energy: 0.45524228805912836
Energy: 0.40841889690646144
Energy: 0.39888243163585535
Energy: 0.4021985320550709
Energy: 0.43681176535579924
Energy: 0.3902771389791747
Energy: 0.4369244003368834
Energy: 0.3924571460001209
Energy: 0.508369951496745
Energy: 0.39914857519668184
Energy: 0.4417229893886028
Energy: 0.4412428835956733
Energy: 0.3964389161310594
Energy: 0.44190754634392415
Energy: 0.42971520161778626
Energy: 0.4390339571581575
Energy: 0.441529578912638
Energy: 0.3963388437306284
Energy: 0.42156814875702125
Energy: 0.44168756073300725
Energy: 0.36182930821246306
Energy: 0.4084808052089147
Energy: 0.3978680756156957
Energy: 0.4143215227229515
Energy: 0.4718477523333272
Energy: 0.39760666894149693

minimum gb energy = 0.3372348581604575 eV
minimum distance =  2.6744480748866 Angstroms
sigma value = 17


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

Energy: 0.7092773275899599
Energy: 0.5904256030030606
Energy: 0.4723308394475162
Energy: 0.46889573622510144
Energy: 0.5906017300105739
Energy: 0.37688897066402294
Energy: 0.5181489509600753
Energy: 0.388103626620805
Energy: 0.36944580017366363
Energy: 0.40271141625633056
Energy: 0.3998416410280347
Energy: 0.36901688376146896
Energy: 0.4003283827103607
Energy: 0.3507549583290508
Energy: 0.35071549546191855
Energy: 0.39947853545079604
Energy: 0.3504800835621125
Energy: 0.35085000560093044
Energy: 0.3993250964979754
Energy: 0.3501664131733346
Energy: 0.35044135793449266
Energy: 0.3994846142646738
Energy: 0.32133033923456045
Energy: 0.39771374065703374
Energy: 0.34194139641391336
Energy: 0.33769652728450683
Energy: 0.33737014078463
Energy: 0.3425062863232573
Energy: 0.33750911043288695
Energy: 0.33859532494558675
Energy: 0.3522860839588824
Energy: 0.33713451538503975
Energy: 0.3369298012014773
Energy: 0.32117395824121303
Energy: 0.33688613960990227
Energy: 0.33024172448517275
Energy: 0.38651919784698513
Energy: 0.3366719632976974
Energy: 0.3364873449438792
Energy: 0.384346643320787
Energy: 0.3375930753808113
Energy: 0.3738313636799384
Energy: 0.3376689810573871
Energy: 0.4313064905437272
Energy: 0.4308007421064806
Energy: 0.3803516849515549
Energy: 0.34106756154358026
Energy: 0.43046848270390803
Energy: 0.3373116208631965
Energy: 0.342069051487534
Energy: 0.3750999536385318
Energy: 0.3382940386635304
Energy: 0.3858646683606039
Energy: 0.33654588182218703
Energy: 0.336684832019819
Energy: 0.34468540869752873
Energy: 0.39707893559194996
Energy: 0.33676686865017447
Energy: 0.3436458271564012
Energy: 0.33638311648108715
Energy: 0.3907461803638827
Energy: 0.36917427157285587
Energy: 0.3377694800641152
Energy: 0.3375144150555073
Energy: 0.3877775614961895
Energy: 0.3366270997893984
Energy: 0.4628676156114251
Energy: 0.3994031755251322
Energy: 0.39943137602597156
Energy: 0.3683015226576507
Energy: 0.39932292271134445
Energy: 0.3998792385232149
Energy: 0.42297619351606724
Energy: 0.4001355464117436
Energy: 0.4002068757890527
Energy: 0.37040892074008863
Energy: 0.39989011939109903
Energy: 0.40023469684497615
Energy: 0.4218234941928588
Energy: 0.4013480184367191
Energy: 0.4011681921086617
Energy: 0.3435619926866699
Energy: 0.40223975880059654
Energy: 0.3686199206517002
Energy: 0.40364907736334604
Energy: 0.3990853685744099
Energy: 0.4006423800046868
Energy: 0.5341851358762097
Energy: 0.39900051649869744
Energy: 0.42450243802347604
Energy: 0.5114610350343902
Energy: 0.4027374256063402
Energy: 0.401797160986151
Energy: 0.40046929800743275
Energy: 0.4031870342678519
Energy: 0.3679095129594645
Energy: 0.4708186223427779
Energy: 0.40149494935868324
Energy: 0.44856905406441794
Energy: 0.3552761657063125
Energy: 0.4012923567593264
Energy: 0.4484083100721434

minimum gb energy = 0.32117395824121303 eV
minimum distance =  2.65722754719852 Angstroms
sigma value = 17


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

Energy: 0.479944517460958
Energy: 0.557964416858015
Energy: 0.391291954094897
Energy: 0.47053087343566136
Energy: 0.5239601866843762
Energy: 0.47039418132523203
Energy: 0.4490524898383783
Energy: 0.396884215001476
Energy: 0.3813968784242013
Energy: 0.41659187263550046
Energy: 0.3954615977711098
Energy: 0.3964697503553879
Energy: 0.41282627313621956
Energy: 0.3227616821793744
Energy: 0.3668266152451838
Energy: 0.41199716640406575
Energy: 0.32282988700141285
Energy: 0.36663872308182827
Energy: 0.3521545849019691
Energy: 0.36775756711108876
Energy: 0.3667043349507309
Energy: 0.3528428554998446
Energy: 0.4441075542771603
Energy: 0.3667166733737638
Energy: 0.4105092561011355
Energy: 0.34600512928994215
Energy: 0.3461232664967872
Energy: 0.4108596883107459
Energy: 0.34727601622139875
Energy: 0.3467804143933202
Energy: 0.42884020681768653
Energy: 0.34490900916184747
Energy: 0.3255890546319526
Energy: 0.3228204194356178
Energy: 0.3448665196452966
Energy: 0.32387699446102075
Energy: 0.4240802574073756
Energy: 0.34921183602574973
Energy: 0.3455234124604352
Energy: 0.3631650655713924
Energy: 0.3472506767511668
Energy: 0.3588665412813858
Energy: 0.3166611197422257
Energy: 0.309705560209657
Energy: 0.3162264875867099
Energy: 0.32129970613937503
Energy: 0.3093260346860563
Energy: 0.32118369560963134
Energy: 0.31839935623745325
Energy: 0.3240864494663697
Energy: 0.3161475175917849
Energy: 0.31768472322947566
Energy: 0.3951791738711893
Energy: 0.3165260572942357
Energy: 0.31622147217195984
Energy: 0.3252836404851061
Energy: 0.32580662876124056
Energy: 0.3163492667833252
Energy: 0.3259259885197982
Energy: 0.3362127407610622
Energy: 0.3521040750833456
Energy: 0.31630350493863507
Energy: 0.3160311731174421
Energy: 0.3360107096977103
Energy: 0.3167441240110071
Energy: 0.33776782957088464
Energy: 0.40767335523941983
Energy: 0.3169146716092701
Energy: 0.31654831998762384
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Energy: 0.40966675055450236
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Energy: 0.3182590621797823
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Energy: 0.31712771384644667
Energy: 0.3454976599895416
Energy: 0.32468995274107976
Energy: 0.33723174499049474
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Energy: 0.36475873609767145
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Energy: 0.3452828177975241
Energy: 0.4178888758108059
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Energy: 0.3452318191613423
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Energy: 0.424937646283242
Energy: 0.39167044449253374
Energy: 0.399458047366672
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Energy: 0.34714495874773926
Energy: 0.43356018244277506
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Energy: 0.43443886711149904
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Energy: 0.41197049394943963
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Energy: 0.4126276059658391
Energy: 0.4122169983179061
Energy: 0.34504690626954887
Energy: 0.40647574077549387
Energy: 0.4139608974362875
Energy: 0.3794055732718348
Energy: 0.35242991023526565
Energy: 0.4100000832208304
Energy: 0.3816912040924316
Energy: 0.5200499708069868
Energy: 0.3452732336586765
Energy: 0.3647521875645919
Energy: 0.42408212869076484
Energy: 0.34444427621468227
Energy: 0.42259028553787975
Energy: 0.5049399431236311
Energy: 0.41247471737757063
Energy: 0.4009561120620137
Energy: 0.4127681234784726
Energy: 0.4157597739970845
Energy: 0.37917829353275057
Energy: 0.47963248039353185
Energy: 0.41210894040223867
Energy: 0.4688810945671662
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Energy: 0.4173704443968351
Energy: 0.36679761384808474
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Energy: 0.4116662782448118
Energy: 0.32281979643554076
Energy: 0.36753109779694
Energy: 0.41190104421752505
Energy: 0.3227304645515758
Energy: 0.36740798606808595
Energy: 0.3530143354301623
Energy: 0.3469153187853092
Energy: 0.34758441481446534
Energy: 0.35291344154356497
Energy: 0.34603470376681006
Energy: 0.3804479840799087
Energy: 0.4276765459432865
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Energy: 0.3237538310160383
Energy: 0.3682002495416319
Energy: 0.32329813360125764
Energy: 0.4259403969570381
Energy: 0.34562214120248363
Energy: 0.3455239210209737
Energy: 0.4125540507459938
Energy: 0.3467420538901302
Energy: 0.3452336502924357
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Energy: 0.3563970104032186
Energy: 0.3459667422828611
Energy: 0.318005023183263
Energy: 0.36643453503111223
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Energy: 0.31667168376138777
Energy: 0.30960860652051175
Energy: 0.3161795762223427
Energy: 0.316461777229075
Energy: 0.30944143762940773
Energy: 0.31598266605210534
Energy: 0.3188995441954346
Energy: 0.3172924290467654
Energy: 0.31656475113377225
Energy: 0.31954897643624436
Energy: 0.3378960823267725
Energy: 0.31716272051437966
Energy: 0.3180609259811411
Energy: 0.3432943002361711
Energy: 0.32408266028136945
Energy: 0.31822201258801364
Energy: 0.3165104439931457
Energy: 0.35913787983394135
Energy: 0.39341193904781635
Energy: 0.31935243325972684
Energy: 0.31681273237370916
Energy: 0.3945448285112069
Energy: 0.3178675510713293
Energy: 0.31625723257348826
Energy: 0.3757361152494319
Energy: 0.345284543329843
Energy: 0.4167268829812906
Energy: 0.3847408095029347
Energy: 0.3160366880570016
Energy: 0.41876604268252243
Energy: 0.34817208962267854
Energy: 0.3624032004952641
Energy: 0.33796145958592344
Energy: 0.34894586563310925
Energy: 0.3251000619601799
Energy: 0.3521588477500937
Energy: 0.3457435258012799
Energy: 0.31635700290175756
Energy: 0.34527475261526375
Energy: 0.345663369537646
Energy: 0.3171056522100871
Energy: 0.34551790877601124
Energy: 0.3456024141629061
Energy: 0.3458096148736905
Energy: 0.34612251154825974
Energy: 0.3502112441600855
Energy: 0.4218168838770951
Energy: 0.3457852084681526
Energy: 0.4358829629193629
Energy: 0.41711124675244854
Energy: 0.3831209271293604
Energy: 0.4171123792047562
Energy: 0.4147009884268109
Energy: 0.40571240139838105
Energy: 0.4551891559020914
Energy: 0.4229567369132113
Energy: 0.3474961772212971
Energy: 0.3454169783011265
Energy: 0.4645012109814846
Energy: 0.3465832356928193
Energy: 0.40646582816424254
Energy: 0.41548464262031226
Energy: 0.4121212546543114
Energy: 0.3532596079311904
Energy: 0.41418358687430595
Energy: 0.38028146997849166
Energy: 0.43808850768767693
Energy: 0.34476045039397774
Energy: 0.4245263897753869
Energy: 0.41190784907539374
Energy: 0.34580779912321885
Energy: 0.4213333072371526
Energy: 0.5227198475704224
Energy: 0.38025686273493053
Energy: 0.383195677685104
Energy: 0.41533064095118793
Energy: 0.41414010305454796
Energy: 0.41191158240474096
Energy: 0.4437800005396557
Energy: 0.41285504634167924
Energy: 0.41224538250338877
Energy: 0.44419731549022484
Energy: 0.41561667479410797
Energy: 0.42864901938613126

minimum gb energy = 0.3093260346860563 eV
minimum distance =  2.63919465669734 Angstroms
sigma value = 57


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

Energy: 0.39111752429413305
Energy: 0.5291156965562364
Energy: 0.39194847516561027
Energy: 0.40910367736309633
Energy: 0.4937953744537362
Energy: 0.47222458983551124
Energy: 0.44367260356389804
Energy: 0.35382853940407605
Energy: 0.37951873218343085
Energy: 0.3575017552237657
Energy: 0.3609758531683485
Energy: 0.384147178588953
Energy: 0.5014190465061488
Energy: 0.3288573010779269
Energy: 0.3277375080525463
Energy: 0.4121570934569137
Energy: 0.34852885439555403
Energy: 0.37162593390683896
Energy: 0.35805345723215004
Energy: 0.32875654896880374
Energy: 0.371930988538381
Energy: 0.40495813218879506
Energy: 0.35969874127163953
Energy: 0.37160176443787557
Energy: 0.3944088826308389
Energy: 0.35522326016373
Energy: 0.3503685129775372
Energy: 0.3955214492185304
Energy: 0.35226382035810416
Energy: 0.3502785654916224
Energy: 0.3568332633671553
Energy: 0.3510622129985475
Energy: 0.32997496424255773
Energy: 0.3536914140116479
Energy: 0.3502290245674291
Energy: 0.3292333369057962
Energy: 0.4091180965809491
Energy: 0.35359855924035477
Energy: 0.35332699886090596
Energy: 0.3595531025493263
Energy: 0.3520376462098274
Energy: 0.3801318930761243
Energy: 0.3164380727494843
Energy: 0.30573187199013946
Energy: 0.3058580084900408
Energy: 0.3429958326526363
Energy: 0.3063429243828738
Energy: 0.31666398752517444
Energy: 0.31934364066845977
Energy: 0.3185699215496646
Energy: 0.31719111812513756
Energy: 0.3201713460094199
Energy: 0.3659523046597567
Energy: 0.3169204638832163
Energy: 0.34157387295513864
Energy: 0.30807010247217637
Energy: 0.3272607624719886
Energy: 0.34200038385673687
Energy: 0.306771957056049
Energy: 0.3642146938300966
Energy: 0.36985262594239426
Energy: 0.3018618512835306
Energy: 0.30198542176497917
Energy: 0.3386121833763048
Energy: 0.30204799037048946
Energy: 0.30198033996657353
Energy: 0.365291194390093
Energy: 0.30675410371782874
Energy: 0.3102000873698814
Energy: 0.3658332998385022
Energy: 0.3068872381230359
Energy: 0.3021601172995097
Energy: 0.3036700058905222
Energy: 0.3399575728736622
Energy: 0.32517834820938635
Energy: 0.32459323954670755
Energy: 0.32424019187697495
Energy: 0.32551365936362453
Energy: 0.3020945654663757
Energy: 0.32425879902402516
Energy: 0.3018949270108423
Energy: 0.30325548305343236
Energy: 0.3645478096214128
Energy: 0.30197073944493086
Energy: 0.30226571661842017
Energy: 0.35482303780426394
Energy: 0.38962005209033573
Energy: 0.3018217171436536
Energy: 0.35329853098543346
Energy: 0.33069810982531017
Energy: 0.38730504303504565
Energy: 0.3247650097929106
Energy: 0.31765296040318847
Energy: 0.3206541605037105
Energy: 0.32260997555037674
Energy: 0.34886874202211676
Energy: 0.3888866455908222
Energy: 0.32369172834509813
Energy: 0.316874148293778
Energy: 0.3529361899807562
Energy: 0.3217933017501669
Energy: 0.3170272950923889
Energy: 0.3803695616348607
Energy: 0.324913777284775
Energy: 0.3173942163988399
Energy: 0.3809462251830076
Energy: 0.32292189112445596
Energy: 0.31750942121328424
Energy: 0.35061914824065665
Energy: 0.3257908184354512
Energy: 0.3408620705021329
Energy: 0.3514859215269265
Energy: 0.40941334792653183
Energy: 0.350073335108783
Energy: 0.35002474861165395
Energy: 0.34674492378253635
Energy: 0.3171501563448452
Energy: 0.34986143657070384
Energy: 0.3472222664357573
Energy: 0.3523529011677999
Energy: 0.46317756353037115
Energy: 0.3542351926038866
Energy: 0.3549888345840749
Energy: 0.35156268128187845
Energy: 0.4122751802053314
Energy: 0.37105016306456307
Energy: 0.4049617936419162
Energy: 0.4139574127700339
Energy: 0.3497341884948243
Energy: 0.3172728624839014
Energy: 0.4115504632880801
Energy: 0.35735727555630875
Energy: 0.41052487702503687
Energy: 0.41831883722735796
Energy: 0.4127383333477281
Energy: 0.41065602536344403
Energy: 0.41609241598817825
Energy: 0.41490447388150503
Energy: 0.46366024034986675
Energy: 0.3502492745861705
Energy: 0.38563544954469514
Energy: 0.3582862298622396
Energy: 0.4095289595152447
Energy: 0.38277248052596663
Energy: 0.5006257711182076
Energy: 0.3573250120889377
Energy: 0.35749818405548023
Energy: 0.416402408972409
Energy: 0.35688289277891455
Energy: 0.4166751297723415
Energy: 0.4971380442225842
Energy: 0.41716052526242925
Energy: 0.41926241811023673
Energy: 0.39544294149140397
Energy: 0.4148685326334568
Energy: 0.38278798251216034
Energy: 0.40875390929898603
Energy: 0.41988314548863354
Energy: 0.3792726750487955
Energy: 0.32864737276630845
Energy: 0.4187374253828904
Energy: 0.3797657149637822

minimum gb energy = 0.3018217171436536 eV
minimum distance =  2.63064656289361 Angstroms
sigma value = 43


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

Energy: 0.3560606080180866
Energy: 0.4821664227894747
Energy: 0.37296857942049605
Energy: 0.3649156507778891
Energy: 0.4605911145369356
Energy: 0.3863594373169203
Energy: 0.3920584968925517
Energy: 0.3353409628969793
Energy: 0.3353563958371304
Energy: 0.37613516602701197
Energy: 0.3359063194313742
Energy: 0.3675409054156951
Energy: 0.44969178779097735
Energy: 0.2904290418127039
Energy: 0.313549742644901
Energy: 0.37444040589090904
Energy: 0.3535860945830322
Energy: 0.31349105978206004
Energy: 0.37697188302082457
Energy: 0.31352393837305137
Energy: 0.31380813927757156
Energy: 0.33449634329738526
Energy: 0.364329525895605
Energy: 0.35514136315142775
Energy: 0.35284646473501896
Energy: 0.3323215932284061
Energy: 0.33239436785449755
Energy: 0.35267140367889666
Energy: 0.3345672139486199
Energy: 0.3396952598221496
Energy: 0.34733156140633487
Energy: 0.3433551427826307
Energy: 0.31903678125039103
Energy: 0.3038140921080767
Energy: 0.34094793453601485
Energy: 0.2917629747475854
Energy: 0.3659426534266747
Energy: 0.3329993530778012
Energy: 0.3336881856437261
Energy: 0.3426428109392469
Energy: 0.3440867911071873
Energy: 0.32951316483439114
Energy: 0.3022884181911288
Energy: 0.27600960896104176
Energy: 0.2907025891409244
Energy: 0.30338285554306677
Energy: 0.27596005646193295
Energy: 0.29060185143264256
Energy: 0.3041527779740942
Energy: 0.2904050397847152
Energy: 0.3020108051887581
Energy: 0.30508777610254084
Energy: 0.3377389102453241
Energy: 0.30199759859101794
Energy: 0.3120901496072691
Energy: 0.2842630908696019
Energy: 0.28460290188939913
Energy: 0.319062953569674
Energy: 0.28574007807039603
Energy: 0.284804475433664
Energy: 0.3370013984704236
Energy: 0.28303763180481306
Energy: 0.2836731901237831
Energy: 0.30520708388666407
Energy: 0.2829212768576902
Energy: 0.27659486344073686
Energy: 0.3358903344294213
Energy: 0.28328346292571305
Energy: 0.2836404792468608
Energy: 0.32636329381931556
Energy: 0.2833185617334401
Energy: 0.296138668352957
Energy: 0.2723061771059422
Energy: 0.2968073852746015
Energy: 0.29961110493556975
Energy: 0.27434604820432396
Energy: 0.31780729121514945
Energy: 0.2996528596990486
Energy: 0.2725105179888394
Energy: 0.28572064077048587
Energy: 0.2719436775501738
Energy: 0.27366042087547165
Energy: 0.3180427746625731
Energy: 0.27187631522554917
Energy: 0.29708636545705164
Energy: 0.2671373432119597
Energy: 0.26697004046363215
Energy: 0.2726751964095923
Energy: 0.26733122601190745
Energy: 0.26700614196490735
Energy: 0.329636570394583
Energy: 0.2665159953782167
Energy: 0.2667072062944354
Energy: 0.32942049494928266
Energy: 0.2665986232425398
Energy: 0.267693120827884
Energy: 0.3255173897245856
Energy: 0.2666925671530291
Energy: 0.2665790331315477
Energy: 0.31526000349071753
Energy: 0.26669642852951103
Energy: 0.26729388913374647
Energy: 0.2668169152201922
Energy: 0.267444885793158
Energy: 0.27919430690118496
Energy: 0.2667447099002195
Energy: 0.2682387312834092
Energy: 0.2787778854516906
Energy: 0.2667122122203506
Energy: 0.26709099867609987
Energy: 0.26671065652735615
Energy: 0.26810106864426814
Energy: 0.3144193302492678
Energy: 0.26666670243985763
Energy: 0.26691723320974214
Energy: 0.2898109739721227
Energy: 0.3018896911036913
Energy: 0.2667553230389292
Energy: 0.2842534562336655
Energy: 0.30135375317146107
Energy: 0.32369499842333227
Energy: 0.2719345145029934
Energy: 0.272006126551734
Energy: 0.32005090398166297
Energy: 0.2719334166378776
Energy: 0.2728951434561028
Energy: 0.32922436616810946
Energy: 0.27183595308048836
Energy: 0.27205551608080514
Energy: 0.3308419004736718
Energy: 0.27196200317493757
Energy: 0.2723413657535141
Energy: 0.31612604573161557
Energy: 0.27332956618723925
Energy: 0.2732941990364526
Energy: 0.2840567597963534
Energy: 0.2739312968230095
Energy: 0.2728660430825813
Energy: 0.28382138477318763
Energy: 0.27292761055935433
Energy: 0.283227386878568
Energy: 0.2847637565519883
Energy: 0.32730484783042024
Energy: 0.28310408523891156
Energy: 0.28351596070227053
Energy: 0.30486863606947384
Energy: 0.31364730313425687
Energy: 0.3169191585961093
Energy: 0.32093823972445557
Energy: 0.2834114935916453
Energy: 0.3413382550587308
Energy: 0.30219973104787623
Energy: 0.30901877092769775
Energy: 0.3108460508540747
Energy: 0.306183572299626
Energy: 0.35240934268494495
Energy: 0.3467216225012827
Energy: 0.3071542400803881
Energy: 0.30595087338423815
Energy: 0.31511206684528215
Energy: 0.30191581214976104
Energy: 0.2833615160832776
Energy: 0.3318547679179496
Energy: 0.3021095958421109
Energy: 0.3022823471273121
Energy: 0.34441672313662214
Energy: 0.3045191823050327
Energy: 0.30261007809644735
Energy: 0.33471658746380895
Energy: 0.3018107042424524
Energy: 0.3372203477114265
Energy: 0.33560261133674807
Energy: 0.3453147250414904
Energy: 0.33249423729469635
Energy: 0.4178830237801653
Energy: 0.2834744029264934
Energy: 0.30226006009952033
Energy: 0.3324109056631217
Energy: 0.2831246156205765
Energy: 0.3021283373615092
Energy: 0.3986915859844408
Energy: 0.3313103434037117
Energy: 0.3360030653100761
Energy: 0.3354172085038887
Energy: 0.34363120159491434
Energy: 0.3334437798862397
Energy: 0.3503174625776072
Energy: 0.38228008243448025
Energy: 0.3321872138499935
Energy: 0.33500191160178583
Energy: 0.38138789304546367
Energy: 0.3021117135263986
Energy: 0.3653826483514524
Energy: 0.37003799681464744
Energy: 0.37700448670284925
Energy: 0.36528412798968557
Energy: 0.38354456874757126
Energy: 0.37839943696598305
Energy: 0.4288019187413697
Energy: 0.33514465855499276
Energy: 0.3355026912933841
Energy: 0.3346425514121964
Energy: 0.33012546202979653
Energy: 0.3801234057781792
Energy: 0.4496233033554993
Energy: 0.30233813954976113
Energy: 0.3355222989758655
Energy: 0.37459546333206417
Energy: 0.3208755782944781
Energy: 0.33570405506674833
Energy: 0.4179140466325018
Energy: 0.3699960139891197
Energy: 0.3666087938763258
Energy: 0.3747027444218732
Energy: 0.3841733876156972
Energy: 0.36100463295366075

minimum gb energy = 0.2665159953782167 eV
minimum distance =  2.62298270112929 Angstroms
sigma value = 81


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

Energy: 0.17367119746114823
Energy: 0.3185060331288712
Energy: 0.06833582658550977
Energy: 0.06930039352576496
Energy: 0.2699739938082192
Energy: 0.17328184989248835
Energy: 0.29643382792788153
Energy: 0.27853750842676955
Energy: 0.26971298941122346
Energy: 0.297935708672356
Energy: 0.27903445522223597
Energy: 0.26568458114788124
Energy: 0.26927259119567004
Energy: 0.06836781124620701
Energy: 0.06838959672822818
Energy: 0.31686093514208125
Energy: 0.06824708715388451
Energy: 0.0684770394210957
Energy: 0.27431056748481986
Energy: 0.06829562576505695
Energy: 0.06924939861475661
Energy: 0.2852230259539346
Energy: 0.06834668929881621
Energy: 0.09127060240004024
Energy: 0.06852638525037535
Energy: 0.29610818667835903
Energy: 0.29655245567494376
Energy: 0.06912487031271548
Energy: 0.2782349158441045
Energy: 0.3160787041833503
Energy: 0.06835672639135736
Energy: 0.27519223568917794
Energy: 0.06888825338200534
Energy: 0.06970935767810563
Energy: 0.2755008789088482
Energy: 0.06830347582499412
Energy: 0.30283479302230676
Energy: 0.2753358624010624
Energy: 0.2753147163379316
Energy: 0.2994482999929852
Energy: 0.27523990554878114
Energy: 0.2771465027010033
Energy: 0.27344386972820356
Energy: 0.0684146762825058
Energy: 0.0682392015589973
Energy: 0.3026622964550246
Energy: 0.06823400256987626
Energy: 0.06881521785720916
Energy: 0.26905047054760606
Energy: 0.0684318939147052
Energy: 0.06908706295227324
Energy: 0.27615753966707607
Energy: 0.06838530076932922
Energy: 0.09031837705680627
Energy: 0.2032553124560905
Energy: 0.3253919701344833
Energy: 0.30616678662356156
Energy: 0.06918507950876629
Energy: 0.31473743566697965
Energy: 0.324075986478077

minimum gb energy = 0.06823400256987626 eV
minimum distance =  2.65634524930547 Angstroms
sigma value = 3


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

Energy: 0.35694791453153385
Energy: 0.42066874168620855
Energy: 0.35931883591472946
Energy: 0.32792715466009353
Energy: 0.4392461776999454
Energy: 0.3301797495594768
Energy: 0.4168158794133273
Energy: 0.36975013283322766
Energy: 0.37090971083167734
Energy: 0.37161961455360043
Energy: 0.3723305996902613
Energy: 0.382195918591718
Energy: 0.38392107854680363
Energy: 0.34263001486790623
Energy: 0.34286081274330216
Energy: 0.36962744947351656
Energy: 0.34270983141110295
Energy: 0.3949800830541717
Energy: 0.33859710712714597
Energy: 0.34284542134621904
Energy: 0.342821228489694
Energy: 0.33851366847591813
Energy: 0.3553831952086588
Energy: 0.38165127387237535
Energy: 0.3036661123847147
Energy: 0.3871510814739113
Energy: 0.38480406377694826
Energy: 0.30368029250184425
Energy: 0.38785346543693877
Energy: 0.38504979574766496
Energy: 0.2793890118566349
Energy: 0.36882622827260925
Energy: 0.3261250314831326
Energy: 0.3170140398276278
Energy: 0.3387810760348109
Energy: 0.33153062541425365
Energy: 0.35817576597780826
Energy: 0.3049248122075162
Energy: 0.30565741005465585
Energy: 0.3507329992532929
Energy: 0.3050524848514108
Energy: 0.35153781213755403
Energy: 0.3368327317853592
Energy: 0.31608968660025577
Energy: 0.3156201516282341
Energy: 0.3367691054727611
Energy: 0.29872250613636764
Energy: 0.3284617711186356
Energy: 0.37903993526770247
Energy: 0.3276358408868809
Energy: 0.37330909211963403
Energy: 0.3770350439277549
Energy: 0.2803459376106738
Energy: 0.36672062629343655
Energy: 0.2805246580862976
Energy: 0.30519668055524674
Energy: 0.3050824785816337
Energy: 0.28060705416168547
Energy: 0.3081789622478717
Energy: 0.35666380442762063
Energy: 0.26424969945276783
Energy: 0.3225738081451399
Energy: 0.2806584602429632
Energy: 0.30012104607401074
Energy: 0.3404385504220527
Energy: 0.29893302235462355
Energy: 0.28053094524515704
Energy: 0.3374856423616072
Energy: 0.28115959376386723
Energy: 0.2805382835013351
Energy: 0.3391843720683971
Energy: 0.2814079900689833
Energy: 0.2807094665912157
Energy: 0.29141522993058766
Energy: 0.29960188336789556
Energy: 0.2808773203269535
Energy: 0.2916015585362384
Energy: 0.28133158803633534
Energy: 0.35043062963525146
Energy: 0.2650263840182211
Energy: 0.30189900411864157
Energy: 0.31614276724040014
Energy: 0.26460410661835415
Energy: 0.3142572133023553
Energy: 0.2566576350582756
Energy: 0.26452186872242267
Energy: 0.26447884738420513
Energy: 0.25681375772706194
Energy: 0.2665410733581433
Energy: 0.2644778376525746
Energy: 0.2568156698757843
Energy: 0.29908741168789815
Energy: 0.283708496906224
Energy: 0.29350846934098257
Energy: 0.3095574887720002
Energy: 0.29201779020721913
Energy: 0.2603135717919898
Energy: 0.2984805547551881
Energy: 0.25703299391388873
Energy: 0.256863088235486
Energy: 0.2986045642480283
Energy: 0.25679651794861
Energy: 0.2566621565092258
Energy: 0.2913475425931291
Energy: 0.2571684189137549
Energy: 0.25676822605040694
Energy: 0.29367263531431964
Energy: 0.2571955022817896
Energy: 0.2577166128573533
Energy: 0.25729011095456555
Energy: 0.2572282162103811
Energy: 0.29298797308840036
Energy: 0.25686988134669886
Energy: 0.2711279543516359
Energy: 0.33800963317816385
Energy: 0.2567165137232625
Energy: 0.25670562671926705
Energy: 0.35069221748840107
Energy: 0.25936139908381683
Energy: 0.2566880480614419
Energy: 0.26491435884408776
Energy: 0.29185203893684825
Energy: 0.2917655012090206
Energy: 0.31196333925615977
Energy: 0.3023570841641787
Energy: 0.2955197191508518
Energy: 0.26674433873572695
Energy: 0.2915575771422736
Energy: 0.2768947121103804
Energy: 0.26705020242908994
Energy: 0.2979747032536517
Energy: 0.2645437629636092
Energy: 0.2643783168434304
Energy: 0.3405154494599109
Energy: 0.26516869739399024
Energy: 0.2645219370925281
Energy: 0.31550897654654947
Energy: 0.2651746397809552
Energy: 0.2586014452747025
Energy: 0.28148942877302036
Energy: 0.2816545716767902
Energy: 0.29496703637347216
Energy: 0.2812260120060245
Energy: 0.28439494133882137
Energy: 0.2649431009481538
Energy: 0.28059459057239683
Energy: 0.28055229031624507
Energy: 0.2987836868754545
Energy: 0.2806605055260591
Energy: 0.2812597724006503
Energy: 0.30363689453367476
Energy: 0.3054332647360831
Energy: 0.3054367676606394
Energy: 0.33764597392487933
Energy: 0.2930491329966962
Energy: 0.280757583960351
Energy: 0.3075383802595769
Energy: 0.3055596332305344
Energy: 0.30550508747661054
Energy: 0.3082021701309369
Energy: 0.31672188481660174
Energy: 0.33399385932238596
Energy: 0.29008518075128137
Energy: 0.3740466497601867
Energy: 0.37828713718592444
Energy: 0.2900677281212839
Energy: 0.3673549979986993
Energy: 0.3809168479439033
Energy: 0.2698099922963184
Energy: 0.33711509264492145
Energy: 0.3484399466234615
Energy: 0.30675459335677274
Energy: 0.33675462810073264
Energy: 0.31681955149751884
Energy: 0.30519103329059943
Energy: 0.3523516115506137
Energy: 0.35916048863876165
Energy: 0.30510260807264666
Energy: 0.355011626400504
Energy: 0.35212561962121597
Energy: 0.3051176857222757
Energy: 0.3260990974123917
Energy: 0.3261749806983602
Energy: 0.33735041391825216
Energy: 0.30437389517869584
Energy: 0.34204546990895884
Energy: 0.3840239621796147
Energy: 0.3387519085766637
Energy: 0.41203281476714076
Energy: 0.3729980334106958
Energy: 0.2899198708708527
Energy: 0.384448408184832
Energy: 0.3171000982922874
Energy: 0.3358538782681905
Energy: 0.3357684662859808
Energy: 0.31698934917519017
Energy: 0.33808929305683627
Energy: 0.3522890205079307

minimum gb energy = 0.2566576350582756 eV
minimum distance =  2.66038046734854 Angstroms
sigma value = 67


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

Energy: 0.36887451339744554
Energy: 0.48965674073815174
Energy: 0.4100491237304317
Energy: 0.36021170186055157
Energy: 0.4941335291036288
Energy: 0.4097317579874806
Energy: 0.4790007848431873
Energy: 0.42516989707260283
Energy: 0.44637784454403395
Energy: 0.42651134435505045
Energy: 0.4226532235876874
Energy: 0.38266942464195386
Energy: 0.4337882360812038
Energy: 0.383921298853999
Energy: 0.4280265966625703
Energy: 0.4345773089121351
Energy: 0.38048943749423947
Energy: 0.4337317096656508
Energy: 0.372827624716601
Energy: 0.4293756436857683
Energy: 0.4283186374426582
Energy: 0.3735984457564024
Energy: 0.39437835207718186
Energy: 0.4336768351424539
Energy: 0.37154746618004
Energy: 0.4455303177107762
Energy: 0.4473225408085428
Energy: 0.37172219571112936
Energy: 0.42183881414060864
Energy: 0.4477558572748377
Energy: 0.3066145787972283
Energy: 0.41367959951273203
Energy: 0.392300751548179
Energy: 0.3783975354227108
Energy: 0.4297237751676263
Energy: 0.37740865597947054
Energy: 0.37113764344101924
Energy: 0.3927225779476915
Energy: 0.36209449779888825
Energy: 0.3780755055678715
Energy: 0.392036103448351
Energy: 0.3617214628803944
Energy: 0.3791156162961709
Energy: 0.3583262915176881
Energy: 0.34923732014306147
Energy: 0.38001606768992047
Energy: 0.3557613331814716
Energy: 0.35630012773280795
Energy: 0.4048737848077139
Energy: 0.37189030770875686
Energy: 0.3864659395942386
Energy: 0.4154105161362973
Energy: 0.32840387321091935
Energy: 0.35666751876875663
Energy: 0.3071233688072892
Energy: 0.3323224374514896
Energy: 0.3290838856638665
Energy: 0.30792165989955095
Energy: 0.3309738390004909
Energy: 0.3267739761903849
Energy: 0.3068937633682861
Energy: 0.39238552972878343
Energy: 0.3393193660348996
Energy: 0.3551587408573827
Energy: 0.3301815235446564
Energy: 0.3531083368145798
Energy: 0.31092862928210774
Energy: 0.3492886991247086
Energy: 0.3065440618128729
Energy: 0.3117422369549981
Energy: 0.3731852601090314
Energy: 0.30673374662905223
Energy: 0.3114688090001583
Energy: 0.3560266407261811
Energy: 0.3077633719687259
Energy: 0.31213774959520385
Energy: 0.35336012425599145
Energy: 0.3069543996392404
Energy: 0.3087243303230101
Energy: 0.34564097040302705
Energy: 0.3641320824359998
Energy: 0.35308171045179604
Energy: 0.3069014004973578
Energy: 0.35598315169829436
Energy: 0.3594247988782722
Energy: 0.31018797069418086
Energy: 0.3073466460865812
Energy: 0.3301094665820243
Energy: 0.3095421031970322
Energy: 0.30697877567093734
Energy: 0.3305500147446499
Energy: 0.37443689432217486
Energy: 0.35253902974738915
Energy: 0.3741800873616929
Energy: 0.34757671909467924
Energy: 0.3435849367626813
Energy: 0.333154986704182
Energy: 0.35203825066201205
Energy: 0.3427404378290733
Energy: 0.33362107699544485
Energy: 0.3502512004924265
Energy: 0.32564622611722843
Energy: 0.32969550688310145
Energy: 0.32964722027770793
Energy: 0.32885948452337455
Energy: 0.3297080153140488
Energy: 0.41040688869478475
Energy: 0.3286394024637809
Energy: 0.301572460822366
Energy: 0.36569270070769994
Energy: 0.35519965896817296
Energy: 0.36029370457665727
Energy: 0.3768034989717729
Energy: 0.3593012063529473
Energy: 0.32931200785854303
Energy: 0.3970781351845386
Energy: 0.39837007228078036
Energy: 0.3289496136701666
Energy: 0.37304811539562704
Energy: 0.36440329792181897
Energy: 0.4470231795561166
Energy: 0.3962856527319143
Energy: 0.39503964703607236
Energy: 0.44544245208466204
Energy: 0.3778020029769738
Energy: 0.39522194831409135
Energy: 0.4335059139578213
Energy: 0.35858824454106725
Energy: 0.39501940152530546
Energy: 0.42710517677443227
Energy: 0.3621780744594623
Energy: 0.39499204029955537
Energy: 0.39597803309720375
Energy: 0.37542198287840584
Energy: 0.3973829737572163
Energy: 0.42088207814911727
Energy: 0.3736658039143946
Energy: 0.3720377873415105

minimum gb energy = 0.301572460822366 eV
minimum distance =  2.6483144129021 Angstroms
sigma value = 33


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

Energy: 0.4472647750279968
Energy: 0.46924832938035044
Energy: 0.36816673776714914
Energy: 0.4116187223624283
Energy: 0.5037130347007048
Energy: 0.444785505749747
Energy: 0.5065979858091146
Energy: 0.46764450745285535
Energy: 0.46885470156043885
Energy: 0.42964855525118034
Energy: 0.45766609941406283
Energy: 0.464933051439764
Energy: 0.4751036217198911
Energy: 0.463933492762754
Energy: 0.4582898761889488
Energy: 0.43776275545102156
Energy: 0.46724865108813385
Energy: 0.45841068877177527
Energy: 0.4588220073101357
Energy: 0.46422171006802637
Energy: 0.45814106042157876
Energy: 0.44519233715309314
Energy: 0.4923319480858513
Energy: 0.4708057812718636
Energy: 0.4130078178662374
Energy: 0.47775196341237725
Energy: 0.48601125718443683
Energy: 0.41343539867863927
Energy: 0.4759207256090659
Energy: 0.4218398486590481
Energy: 0.3542095644419733
Energy: 0.4044116992913501
Energy: 0.473163626145871
Energy: 0.41233765913962733
Energy: 0.4398735675608638
Energy: 0.4117320944401372
Energy: 0.41294705511128244
Energy: 0.46121510621480016
Energy: 0.3956465634691513
Energy: 0.41391848247598684
Energy: 0.4638436813604199
Energy: 0.39422991653209855
Energy: 0.4149996937422343
Energy: 0.4306749727696858
Energy: 0.432319024355299
Energy: 0.4163346746163767
Energy: 0.4304372474057568
Energy: 0.42593221959483224
Energy: 0.4533249211180279
Energy: 0.41381985413893657
Energy: 0.4345204615947576
Energy: 0.4569906904209636
Energy: 0.37059603732411284
Energy: 0.42860092191320004
Energy: 0.39328859047340087
Energy: 0.3700344314064999
Energy: 0.3692825821710577
Energy: 0.4243736883442336
Energy: 0.37148601258291014
Energy: 0.36966291836424675
Energy: 0.370392182112578
Energy: 0.3710083813287224
Energy: 0.4146846616120187
Energy: 0.420280997006002
Energy: 0.36989625855494035
Energy: 0.42169355835498396
Energy: 0.37453822567524714
Energy: 0.40507098953644816
Energy: 0.38050822646337745
Energy: 0.3700589184835591
Energy: 0.41174186291413045
Energy: 0.36991941823145913
Energy: 0.3702635546886161
Energy: 0.3817016303641818
Energy: 0.38088917740700656
Energy: 0.3701964691928106
Energy: 0.4437870344989488
Energy: 0.3810488417153989
Energy: 0.3435569205434379
Energy: 0.4128153485960081
Energy: 0.4110078112004376
Energy: 0.39980077097332534
Energy: 0.4408913701758357
Energy: 0.39971054079554486
Energy: 0.4112059037627259
Energy: 0.42412050268353835
Energy: 0.4208522029314154
Energy: 0.3858926637244423
Energy: 0.42190174765713495
Energy: 0.42160789245832053
Energy: 0.4334730402318537
Energy: 0.4454605509565162
Energy: 0.4223784874378832
Energy: 0.44217811702480553
Energy: 0.36778430985810806
Energy: 0.42633766985394916
Energy: 0.46352907193520954
Energy: 0.43372481730891327
Energy: 0.42151052093340635
Energy: 0.4639978902141255
Energy: 0.4310203125523264
Energy: 0.42242234576943904
Energy: 0.47515606366156893
Energy: 0.47773465968771656
Energy: 0.42345909142695604
Energy: 0.47299198889543786
Energy: 0.4776246936300757
Energy: 0.4393740986523218
Energy: 0.34856569238529295
Energy: 0.43476648407972346
Energy: 0.5044670395918939
Energy: 0.41099073494750177
Energy: 0.46605949744144465
Energy: 0.42633301740867235
Energy: 0.41261829803410627
Energy: 0.4840278540613664
Energy: 0.4819159955967078
Energy: 0.412588223116859
Energy: 0.4814856265030185
Energy: 0.46358072646074644
Energy: 0.46586988055806255
Energy: 0.4745217505106276
Energy: 0.45772784379750275
Energy: 0.47675520683044126
Energy: 0.48104142753338625
Energy: 0.45247821498363294
Energy: 0.44543537220191126
Energy: 0.46369228199411117
Energy: 0.4580962390215904
Energy: 0.4226019882437027
Energy: 0.4727994292496264
Energy: 0.4583058444571761
Energy: 0.41363155164274285
Energy: 0.4774531280405655
Energy: 0.48252659626445027
Energy: 0.41277345108641855
Energy: 0.479455523156536
Energy: 0.46686900070047904
Energy: 0.35444238338777306
Energy: 0.44448284572551444
Energy: 0.46199844251848854
Energy: 0.41471509397269535
Energy: 0.479289663365366
Energy: 0.40482877308743914
Energy: 0.41338344920984926
Energy: 0.45596730208319514
Energy: 0.45758923936480367
Energy: 0.41307794347646476
Energy: 0.47795736508431774
Energy: 0.41412918746944394
Energy: 0.41527212266369407
Energy: 0.428545799604723
Energy: 0.4279043279539087
Energy: 0.4158276981765318
Energy: 0.43522358060485006
Energy: 0.4320676198673549
Energy: 0.4143513786259072
Energy: 0.44032357207023437
Energy: 0.41232901804561434
Energy: 0.4585156862181544
Energy: 0.43795220558690734
Energy: 0.4128417526503755
Energy: 0.4533722543561921
Energy: 0.3699275170386992
Energy: 0.36937537651936514
Energy: 0.4220228241456844
Energy: 0.37159626592419165
Energy: 0.3694409876874518
Energy: 0.3765645357112231
Energy: 0.37025750321379114
Energy: 0.3699149446116214
Energy: 0.42223514941362633
Energy: 0.369321823307743
Energy: 0.4326638033695724
Energy: 0.3693775870605739
Energy: 0.3920011569168025
Energy: 0.37000264558109947
Energy: 0.37020527950893756
Energy: 0.41181631230115096
Energy: 0.36896240386290197
Energy: 0.3718897685125596
Energy: 0.3966602008379926
Energy: 0.37079211232201215
Energy: 0.37014858131970124
Energy: 0.4321627576141015
Energy: 0.36951566207479886
Energy: 0.34389025304072995
Energy: 0.4086615276096239
Energy: 0.4065644216558994
Energy: 0.4009736938579618
Energy: 0.40803268751561583
Energy: 0.40468490026363785
Energy: 0.3436365304511306
Energy: 0.4144620907394822
Energy: 0.4252970038316273
Energy: 0.4127280851195752
Energy: 0.41317541332402036
Energy: 0.41843831193734693
Energy: 0.4359040415103976
Energy: 0.3680704197327927
Energy: 0.42390572996885223
Energy: 0.43460427241335964
Energy: 0.3678393137644198
Energy: 0.3903810084448461
Energy: 0.4732005323629214
Energy: 0.4326210082763576
Energy: 0.42158736024275606
Energy: 0.43606929793414473
Energy: 0.39960483387721735
Energy: 0.39163957807548744
Energy: 0.5065081010927414
Energy: 0.42320402549723946
Energy: 0.39255399949539527
Energy: 0.4058452446374319
Energy: 0.3971618683798401
Energy: 0.43815085994840275
Energy: 0.36778993646724795
Energy: 0.4370841001350315
Energy: 0.48181133066686854
Energy: 0.4111757720126996
Energy: 0.43627658127335617
Energy: 0.44036302036115643

minimum gb energy = 0.3435569205434379 eV
minimum distance =  2.61058224191537 Angstroms
sigma value = 41


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

Energy: 0.6098343934255182
Energy: 0.623751428148071
Energy: 0.5124870365337606
Energy: 0.4518061725329845
Energy: 0.5196168944310535
Energy: 0.512888211463321
Energy: 0.48800705835358693
Energy: 0.4652081582973361
Energy: 0.42992140842011956
Energy: 0.4096355133122884
Energy: 0.4650870756342032
Energy: 0.4295893632879539
Energy: 0.4649990231807678
Energy: 0.4850039663214646
Energy: 0.4424792801447459
Energy: 0.4642625106092975
Energy: 0.48241948297821374
Energy: 0.47783435264439345
Energy: 0.40783971003708114
Energy: 0.48187655649038813
Energy: 0.4821442197085661
Energy: 0.4375811563472847
Energy: 0.39417609239828505
Energy: 0.4822598647792965
Energy: 0.3941681959804348
Energy: 0.46490251004410604
Energy: 0.47493716253339135
Energy: 0.3950103191626855
Energy: 0.39657407247823556
Energy: 0.4078108392963342
Energy: 0.44887023175200197
Energy: 0.43203428619420986
Energy: 0.46318334472484735
Energy: 0.4631016845137922
Energy: 0.4995984995362639
Energy: 0.44331372244344197
Energy: 0.39350115826505105
Energy: 0.3825701856403189
Energy: 0.384034896432052
Energy: 0.3939279676957162
Energy: 0.44950567657646834
Energy: 0.3967701208940635
Energy: 0.3935465509680671
Energy: 0.3831948933996384
Energy: 0.3830197781247307
Energy: 0.39445961295141846
Energy: 0.4379547286959236
Energy: 0.3940270908706535
Energy: 0.47123766445871207
Energy: 0.4037636667011129
Energy: 0.4031436039341558
Energy: 0.37037715143381944
Energy: 0.4033331137139096
Energy: 0.4381471630775078
Energy: 0.44099046081534476
Energy: 0.39787884882898916
Energy: 0.39734517365336053
Energy: 0.42236027563554585
Energy: 0.39581739178153824
Energy: 0.3984198689037631
Energy: 0.5023856186397564
Energy: 0.3982962901629963
Energy: 0.39779102611632294
Energy: 0.4666351712173424
Energy: 0.36918378910440075
Energy: 0.39458145506136
Energy: 0.46568108234408895
Energy: 0.45485180564111405
Energy: 0.3694688112888724
Energy: 0.4979784573299809
Energy: 0.45097009499586593
Energy: 0.4072159502080965
Energy: 0.48843542606054396
Energy: 0.40898884584938844
Energy: 0.42844589665646626
Energy: 0.408788865843805
Energy: 0.46596355056819616
Energy: 0.4296274902353937
Energy: 0.37001151216060923
Energy: 0.4835903997358141
Energy: 0.5115267459214754
Energy: 0.44961574243702523
Energy: 0.4970349075518075
Energy: 0.5113651836888703

minimum gb energy = 0.36918378910440075 eV
minimum distance =  2.60935540304269 Angstroms
sigma value = 11


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

Energy: 0.719727501976468
Energy: 0.51721270238917
Energy: 0.5046715657536402
Energy: 0.5183363954634431
Energy: 0.5040164797086033
Energy: 0.47555262431549356
Energy: 0.5570834836483073
Energy: 0.4542668779864087
Energy: 0.45197283767433605
Energy: 0.45464272522604693
Energy: 0.4515234172881041
Energy: 0.4561020053245777
Energy: 0.5677618739460902
Energy: 0.5208184483922693
Energy: 0.47652324573627985
Energy: 0.5300305688677778
Energy: 0.5213121408264682
Energy: 0.4518986244807732
Energy: 0.49452073321140366
Energy: 0.4756806984746433
Energy: 0.4541152198720621
Energy: 0.4666041846831097
Energy: 0.4379918184502325
Energy: 0.45547442004633065
Energy: 0.5066629688886665
Energy: 0.4575530964054541
Energy: 0.4520024971994706
Energy: 0.46508409540457235
Energy: 0.44811615770616636
Energy: 0.4520731899881012
Energy: 0.5635515379620971
Energy: 0.4486219816673338
Energy: 0.44817614307021963
Energy: 0.45111076154560337
Energy: 0.4491862909124165
Energy: 0.4481794131924361
Energy: 0.4472985692836162
Energy: 0.4529780825091731
Energy: 0.4483129252350229
Energy: 0.44783520580636904
Energy: 0.4433882353880371
Energy: 0.44846199998304576
Energy: 0.4536788489042355
Energy: 0.4566027695570228
Energy: 0.45317766928641706
Energy: 0.45102296970906197
Energy: 0.46440985336392254
Energy: 0.4546833392196957
Energy: 0.4312665157636593
Energy: 0.45551320997000366
Energy: 0.45435827273722745
Energy: 0.4941073970516578
Energy: 0.4567507466952285
Energy: 0.4469959866390901
Energy: 0.4449742914028353
Energy: 0.45269528541193194
Energy: 0.45231602782410313
Energy: 0.47438437486698903
Energy: 0.48336573958708984
Energy: 0.4583000278308968
Energy: 0.44455078750450944
Energy: 0.4677150103127884
Energy: 0.4532222221605654
Energy: 0.44778964177802816
Energy: 0.46087111475422626
Energy: 0.4545610668841756
Energy: 0.5742191386005674
Energy: 0.5480781687948892
Energy: 0.49370619751004235
Energy: 0.49554038997195765
Energy: 0.5204203673837824
Energy: 0.49135082396218116
Energy: 0.447919373251801
Energy: 0.45652282304174896
Energy: 0.4688274212817201
Energy: 0.44813728411624804
Energy: 0.4551353341183592
Energy: 0.4559489335516142
Energy: 0.432263267683518
Energy: 0.5077994515556415
Energy: 0.46461845018038656
Energy: 0.47657629750990504
Energy: 0.5256338945114232
Energy: 0.4642394084759599
Energy: 0.43733192801935344
Energy: 0.4411187650559291
Energy: 0.455659977705009
Energy: 0.4393678082072152
Energy: 0.4504260162430319
Energy: 0.47675584439229424
Energy: 0.4437397109990283
Energy: 0.4378918934667243
Energy: 0.43967761642774805
Energy: 0.4401396182253013
Energy: 0.4382184932379483
Energy: 0.4371603686122036
Energy: 0.4388705270032919
Energy: 0.43809469840586673
Energy: 0.4633894401835497
Energy: 0.4358952988091261
Energy: 0.43766989764259717
Energy: 0.45587743692352983
Energy: 0.5894480753660527
Energy: 0.4784684697800675
Energy: 0.4541798198726509
Energy: 0.46337026606885695
Energy: 0.4790623391094287
Energy: 0.44539590987377864
Energy: 0.47403953043560415
Energy: 0.4556255001564113
Energy: 0.45549758803839285
Energy: 0.46843694875876357
Energy: 0.4575498603687177
Energy: 0.46716370878478064
Energy: 0.5523771677427423
Energy: 0.5473474233712244
Energy: 0.472208608426969
Energy: 0.4721766144102142
Energy: 0.5463687945105985
Energy: 0.45422249606751564
Energy: 0.48290625325900643
Energy: 0.4418336230460115
Energy: 0.4940161717101369
Energy: 0.44944577283636616
Energy: 0.44296135347751536
Energy: 0.4574489369238211
Energy: 0.4668093738194523
Energy: 0.4520405886700724
Energy: 0.4524838227046007
Energy: 0.4497633211571376
Energy: 0.45456130261070765
Energy: 0.45250020485928605
Energy: 0.4329275245080727
Energy: 0.4519526385638396
Energy: 0.4693944444170977
Energy: 0.5205660707923006
Energy: 0.4828930407233185
Energy: 0.4674519440065529
Energy: 0.5020820489841712
Energy: 0.46808838418874116
Energy: 0.466466623757679
Energy: 0.4551617177931302
Energy: 0.46834931036786936
Energy: 0.4667195182432299
Energy: 0.48280652091881565
Energy: 0.4564131096766563
Energy: 0.4525824968199081
Energy: 0.477795637207618
Energy: 0.45093120241268175
Energy: 0.45406167192466224
Energy: 0.5217203991388103
Energy: 0.4392165914312024
Energy: 0.45509899706532864
Energy: 0.4758850377897106
Energy: 0.435841750906029
Energy: 0.464001741625814
Energy: 0.5377987472070209
Energy: 0.4373012624848297
Energy: 0.4364882278375528
Energy: 0.43792164777620673
Energy: 0.4384249420545996
Energy: 0.43878119672211036
Energy: 0.513390819747361
Energy: 0.439144613530715
Energy: 0.46633292053303016
Energy: 0.45748483796794065
Energy: 0.4388281658094916
Energy: 0.4844549935432072
Energy: 0.5482983794057625
Energy: 0.4535575633167445
Energy: 0.4527618177655343
Energy: 0.5241152307479278
Energy: 0.4565383506753975
Energy: 0.4548606297927074
Energy: 0.5583123374443755
Energy: 0.45018002532776547
Energy: 0.45568040798796494
Energy: 0.45208731372620686
Energy: 0.45093261149634434
Energy: 0.4685583053645304
Energy: 0.4324471035088283
Energy: 0.4668971284672453
Energy: 0.5035928917469373
Energy: 0.5465463227810362
Energy: 0.45660815332727284
Energy: 0.49082576794066496

minimum gb energy = 0.4312665157636593 eV
minimum distance =  2.65755417957192 Angstroms
sigma value = 57


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

Energy: 0.6310127907206378
Energy: 0.6794000968162986
Energy: 0.5344549630914581
Energy: 0.5348884323974603
Energy: 0.6774910494614453
Energy: 0.5358617282504629
Energy: 0.5358877122540309
Energy: 0.45246110437568976
Energy: 0.45505925767264266
Energy: 0.45152223011261194
Energy: 0.4540813469984073
Energy: 0.45474628644174386
Energy: 0.48627173390464307
Energy: 0.44616809662888046
Energy: 0.44704215097923256
Energy: 0.489397248431791
Energy: 0.4914705647772289
Energy: 0.4536028341944268
Energy: 0.48916238645534693
Energy: 0.4524037445760021
Energy: 0.4563628322581335
Energy: 0.45439584266452515
Energy: 0.49167600363658226
Energy: 0.45578352914010384
Energy: 0.4680600619182082
Energy: 0.4527148011715077
Energy: 0.45632502482829496
Energy: 0.4691739776992335
Energy: 0.4552464842284943
Energy: 0.4570382882962165
Energy: 0.4884115713107931
Energy: 0.4911710301058441
Energy: 0.4921819552358212
Energy: 0.45333592323615995
Energy: 0.4888630576929069
Energy: 0.49727329039358137
Energy: 0.48766087986146045
Energy: 0.49635940536674494
Energy: 0.43791989018270433
Energy: 0.48901726088989433
Energy: 0.49203741891860897
Energy: 0.49510266605109826
Energy: 0.5362609370709647
Energy: 0.45307827018109503
Energy: 0.45586431636324315
Energy: 0.4541657805778989
Energy: 0.4672022259183625
Energy: 0.45630397747148943
Energy: 0.4305453689255784
Energy: 0.45450091957576033
Energy: 0.43167419326601364
Energy: 0.5381138525178811
Energy: 0.491003396838405
Energy: 0.43165499926654416
Energy: 0.4306334658686135
Energy: 0.45286636693486865
Energy: 0.43178084836795105
Energy: 0.5378211526871397
Energy: 0.4906064325599084
Energy: 0.43130728258903883
Energy: 0.5358554480663651
Energy: 0.4526949684981468
Energy: 0.45471864762585623
Energy: 0.45375750930887243
Energy: 0.4685995782231379
Energy: 0.45630156725524273
Energy: 0.6530224866517227
Energy: 0.5164027634125177
Energy: 0.4858173146403617
Energy: 0.6560161819689299
Energy: 0.5163911746631983
Energy: 0.4965853864737569
Energy: 0.46941689679256837
Energy: 0.4516753044726485
Energy: 0.4504140701458734
Energy: 0.45286943322883044
Energy: 0.4521219482059543
Energy: 0.45544375048569874
Energy: 0.4885441617387801
Energy: 0.4936901588985491
Energy: 0.49636818971638186
Energy: 0.4517464395255696
Energy: 0.48992102908578106
Energy: 0.49950502330226915
Energy: 0.4872031700961068
Energy: 0.431165590599229
Energy: 0.45650854178280137
Energy: 0.46779115856485065
Energy: 0.4312619396295116
Energy: 0.45596110474775253
Energy: 0.48697072806766345
Energy: 0.43082483310432657
Energy: 0.431246124436801
Energy: 0.4896748118410583
Energy: 0.43096874438382604
Energy: 0.4515399651342847
Energy: 0.43051529471735156
Energy: 0.4514350552004027
Energy: 0.4523964017130791
Energy: 0.4318765304135249
Energy: 0.4530191009369201
Energy: 0.4506852970699114

minimum gb energy = 0.43051529471735156 eV
minimum distance =  2.69486723845087 Angstroms
sigma value = 9


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

Energy: 0.7793604662165113
Energy: 0.707904516061648
Energy: 0.5298758381994395
Energy: 0.6138431036241959
Energy: 0.7066711375251528
Energy: 0.5307324334715426
Energy: 0.5560913141506844
Energy: 0.49097344797937764
Energy: 0.48768918415505486
Energy: 0.48069715378788674
Energy: 0.4933822907110317
Energy: 0.48497238317859703
Energy: 0.5425341246008515
Energy: 0.4923788848889115
Energy: 0.528454764977985
Energy: 0.5177981704272295
Energy: 0.4907230524023589
Energy: 0.5288450343960713
Energy: 0.5139630850490327
Energy: 0.48843991021257926
Energy: 0.4911539048504769
Energy: 0.5065690373999887
Energy: 0.5197924339870168
Energy: 0.49255818795197415
Energy: 0.49677260440132875
Energy: 0.4907784271737148
Energy: 0.48829769627209596
Energy: 0.4723964495250343
Energy: 0.4937914529525278
Energy: 0.47806818579365123
Energy: 0.49394356936009337
Energy: 0.47992932393833143
Energy: 0.4783961285705793
Energy: 0.482283005891985
Energy: 0.48226372400190837
Energy: 0.47844794034044047
Energy: 0.6599919293086989
Energy: 0.5015730111522769
Energy: 0.5288742870170746
Energy: 0.5575186590295057
Energy: 0.499494010143238
Energy: 0.5484801203343902
Energy: 0.5082425421560947
Energy: 0.48814799473828463
Energy: 0.48701751008278493
Energy: 0.5029018736979408
Energy: 0.4929699732873721
Energy: 0.4773614294791719
Energy: 0.5672978228264592
Energy: 0.5169482404776927
Energy: 0.5116988167104499
Energy: 0.4908452985468001
Energy: 0.5138641268760017
Energy: 0.5010414819445322
Energy: 0.568033753598813
Energy: 0.4890767418634844
Energy: 0.49182511503670373
Energy: 0.4777495338743861
Energy: 0.49459355379818337
Energy: 0.4726083275306757
Energy: 0.5085221123923931
Energy: 0.4819273714032847
Energy: 0.4829437291451177
Energy: 0.502397101660565
Energy: 0.4731203584364191
Energy: 0.4719049741830477
Energy: 0.5109669746197839
Energy: 0.4848859545485174
Energy: 0.48348103272056975
Energy: 0.510913458615571
Energy: 0.4795462140675446
Energy: 0.48533307684140636
Energy: 0.5755414648533196
Energy: 0.5099752082389154
Energy: 0.49573021224055663
Energy: 0.5015466122017521
Energy: 0.5292992726589848
Energy: 0.4766883798745709
Energy: 0.5607923960277863
Energy: 0.5014570943970671
Energy: 0.4832312561665399
Energy: 0.4766561433197558
Energy: 0.49935866341424173
Energy: 0.4815146040378318
Energy: 0.5155468075073101
Energy: 0.4715247946788887
Energy: 0.4711841798401802
Energy: 0.5164756590467343
Energy: 0.47584228877236684
Energy: 0.47321358677152214
Energy: 0.5079542362704867
Energy: 0.5179521780514641
Energy: 0.5242204676635346
Energy: 0.5104882702522856
Energy: 0.5251648223089574
Energy: 0.5148087908402806
Energy: 0.51096759660878
Energy: 0.4883906215023552
Energy: 0.4870803188997696
Energy: 0.5040591243755124
Energy: 0.4896458585060144
Energy: 0.49369432052253737
Energy: 0.5359201784750066
Energy: 0.5100533320820532
Energy: 0.49719636073312184
Energy: 0.4924306240104554
Energy: 0.5193899738178948
Energy: 0.4935272668655148
Energy: 0.5417180006167623
Energy: 0.4813892271038763
Energy: 0.4829508266556967
Energy: 0.5184929267679759
Energy: 0.48087530628576436
Energy: 0.490293347166922
Energy: 0.5415100127720953
Energy: 0.48167045493077026
Energy: 0.48153915447281204
Energy: 0.5012250601274859
Energy: 0.4799069688753116
Energy: 0.4859801320073783
Energy: 0.5307916946322452
Energy: 0.4970686253541958
Energy: 0.4951813619700258
Energy: 0.48715802901220523
Energy: 0.49122438183214157
Energy: 0.4750461896487571

minimum gb energy = 0.4711841798401802 eV
minimum distance =  2.6217603948969 Angstroms
sigma value = 27


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

Energy: 0.4228091205353334
Energy: 0.6577923803209963
Energy: 0.4257618486330301
Energy: 0.42870243292597066
Energy: 0.6570929238627382
Energy: 0.4367811506376506
Energy: 0.505864953482366
Energy: 0.4594336334611094
Energy: 0.448553712118767
Energy: 0.44640376773239315
Energy: 0.44868630823856775
Energy: 0.44741606887763846
Energy: 0.4963782143105798
Energy: 0.44907048492655427
Energy: 0.45046230697785894
Energy: 0.4814778472133569
Energy: 0.42811182971258444
Energy: 0.4497386393928232
Energy: 0.49787732496681436
Energy: 0.4470981066091339
Energy: 0.44799177528387374
Energy: 0.48482144002280003
Energy: 0.44618946650431734
Energy: 0.44841679152648234
Energy: 0.4381452177390317
Energy: 0.4460926686826925
Energy: 0.4567680738152797
Energy: 0.44366494873080614
Energy: 0.44751185855048886
Energy: 0.45283327521262684
Energy: 0.46681946132729857
Energy: 0.45977139057636235
Energy: 0.46060905125604473
Energy: 0.45937453701087777
Energy: 0.4560387156064472
Energy: 0.4584501290434452
Energy: 0.49518019002183916
Energy: 0.43461833643077774
Energy: 0.43546734400338866
Energy: 0.49688500119199724
Energy: 0.42994121970328913
Energy: 0.4278608448093059
Energy: 0.49675876221208165
Energy: 0.462266152898069
Energy: 0.44849526159874625
Energy: 0.4468105320985665
Energy: 0.4622680416333006
Energy: 0.44880681118487875
Energy: 0.5130968936574984
Energy: 0.4481999201947787
Energy: 0.44930205941222706
Energy: 0.4465716011987395
Energy: 0.48229114800147205
Energy: 0.45720824840291413
Energy: 0.5128432646296363
Energy: 0.44736615773353716
Energy: 0.44907063500549915
Energy: 0.44856306674168767
Energy: 0.48326411581852435
Energy: 0.4511938263461733
Energy: 0.5001244281311934
Energy: 0.4528816668883247
Energy: 0.4550338462203115
Energy: 0.4463953677669299
Energy: 0.44423733265804916
Energy: 0.45770945547870895
Energy: 0.5336660537340122
Energy: 0.4594343677437334
Energy: 0.45914045854891455
Energy: 0.45677782109834253
Energy: 0.45979049980080317
Energy: 0.45884153261519733
Energy: 0.4230368230180432
Energy: 0.44730280055747396
Energy: 0.42829550207532385
Energy: 0.4257795716437011
Energy: 0.4474942420996595
Energy: 0.4280723416895563
Energy: 0.4236860392372709
Energy: 0.447945324288829
Energy: 0.44692063900321943
Energy: 0.4269952533103058
Energy: 0.4468428937144852
Energy: 0.43148482290220813
Energy: 0.49778329014832845
Energy: 0.45185339419150383
Energy: 0.45264278045381445
Energy: 0.48463510676992305
Energy: 0.4493905325975366
Energy: 0.4488784729087632
Energy: 0.49520894250116737
Energy: 0.45798714259773454
Energy: 0.456909563167632
Energy: 0.4830287290719246
Energy: 0.44650846672226463
Energy: 0.4566814266885242
Energy: 0.42381209072401715
Energy: 0.4472329599334491
Energy: 0.44815669230168026
Energy: 0.44477052255335586
Energy: 0.4471501645815682
Energy: 0.44788605875917653
Energy: 0.4318893992663141
Energy: 0.44851669715416975
Energy: 0.44797297716507717
Energy: 0.44578323221913185
Energy: 0.44694101338318876
Energy: 0.4570436574809575
Energy: 0.49519123663532727
Energy: 0.4272939012274937
Energy: 0.4286908387107798
Energy: 0.44824792312447503
Energy: 0.42667481407398505
Energy: 0.42945488889649863
Energy: 0.49664906511186196
Energy: 0.42737682679591094
Energy: 0.4287864176763245
Energy: 0.4492111446289416
Energy: 0.42680033217772567
Energy: 0.42961624506392043
Energy: 0.5054072402786788
Energy: 0.4490500708607854
Energy: 0.4486212360635294
Energy: 0.44472220480590224
Energy: 0.48117728279167304
Energy: 0.4480789801569116
Energy: 0.42698550711048017
Energy: 0.4781681678945955
Energy: 0.4780319165280861
Energy: 0.4266785625653584
Energy: 0.4790403512428816
Energy: 0.4507171518305156
Energy: 0.4963489744232422
Energy: 0.44689593988059956
Energy: 0.44696155803176507
Energy: 0.45697423335356374
Energy: 0.4469511342700131
Energy: 0.4489396346656273
Energy: 0.49832032918683233
Energy: 0.4510535696938195
Energy: 0.4527157256446255
Energy: 0.4837533515026424
Energy: 0.4488729651195781
Energy: 0.45562937983662777
Energy: 0.4232016507169434
Energy: 0.448153032104785
Energy: 0.4469344704005905
Energy: 0.42703164334542
Energy: 0.4475337254073515
Energy: 0.4310899218502994

minimum gb energy = 0.4228091205353334 eV
minimum distance =  2.63619003137838 Angstroms
sigma value = 19


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

Energy: 0.5217436045037429
Energy: 0.6834893474344234
Energy: 0.4405090796337231
Energy: 0.6093217217004483
Energy: 0.6140705069996006
Energy: 0.4374009708245166
Energy: 0.5769100354446937
Energy: 0.469504249039111
Energy: 0.46595652464367576
Energy: 0.47415995251403226
Energy: 0.46170914887701364
Energy: 0.4451872043988915
Energy: 0.5363707827846239
Energy: 0.4463817298752813
Energy: 0.44632360418089506
Energy: 0.5106770483964354
Energy: 0.44658967413812495
Energy: 0.44635286015773884
Energy: 0.5222534733711327
Energy: 0.44543331694875743
Energy: 0.4456351514911399
Energy: 0.4677557144257935
Energy: 0.4450268493428451
Energy: 0.44550651104697814
Energy: 0.45240047493142627
Energy: 0.49973960828971037
Energy: 0.4982536671484191
Energy: 0.451580467291591
Energy: 0.5002169747721494
Energy: 0.44613666956663955
Energy: 0.46187659084709437
Energy: 0.4743654804050816
Energy: 0.4782502035787018
Energy: 0.45760816822756384
Energy: 0.47774490249936535
Energy: 0.44693941318032593
Energy: 0.5657729158857123
Energy: 0.4436255728080316
Energy: 0.4659782568114623
Energy: 0.5009029169384982
Energy: 0.4436903278916158
Energy: 0.4665726676049843
Energy: 0.4773003630813773
Energy: 0.4463663257447428
Energy: 0.44644851409800174
Energy: 0.4531451587701092
Energy: 0.4465836269954048
Energy: 0.4465235476977983
Energy: 0.4454232954680828
Energy: 0.4458729220945688
Energy: 0.44581437693730147
Energy: 0.4450811296182604
Energy: 0.4473694607846562
Energy: 0.44550378786916517
Energy: 0.44532705216852203
Energy: 0.45789845668503765
Energy: 0.44816379304427045
Energy: 0.44540413987782607
Energy: 0.47410816460559385
Energy: 0.4482720299811884
Energy: 0.5392137503263145
Energy: 0.5383104276558132
Energy: 0.5396473266509052
Energy: 0.5140333663580059
Energy: 0.44299096195087373
Energy: 0.5430335543827053
Energy: 0.5327588758584947
Energy: 0.44106359537709017
Energy: 0.44107526785610257
Energy: 0.46852181686705996
Energy: 0.4428718080429091
Energy: 0.4408846691355298
Energy: 0.46208589575383124
Energy: 0.47366256957505387
Energy: 0.4520725735551056
Energy: 0.442205219195879
Energy: 0.49272916275289114
Energy: 0.4518127783758583
Energy: 0.4868590182233557
Energy: 0.44778520061236554
Energy: 0.45055165297958244
Energy: 0.43636456084390884
Energy: 0.459607536666974
Energy: 0.44856465291573905
Energy: 0.5102968981034247
Energy: 0.44034772251918625
Energy: 0.440606992701405
Energy: 0.4403841180151745
Energy: 0.43985177803538356
Energy: 0.4408531961647206
Energy: 0.5302241763708099
Energy: 0.4433792073709149
Energy: 0.4421214696181295
Energy: 0.4494046989638829
Energy: 0.4458324893362606
Energy: 0.4419471570353751
Energy: 0.591909979787558
Energy: 0.4599109486160507
Energy: 0.4490552768078488
Energy: 0.43596759444086247
Energy: 0.4741093247818872
Energy: 0.4476091990671843
Energy: 0.4741771254943429
Energy: 0.4460026503448972
Energy: 0.4415480966914693
Energy: 0.43667528166179753
Energy: 0.47824223393003795
Energy: 0.44136645947527636
Energy: 0.5289815757420361
Energy: 0.4435055479258359
Energy: 0.4456817832890602
Energy: 0.50801969263218
Energy: 0.44347871399108757
Energy: 0.48182503268934146
Energy: 0.499480589783543
Energy: 0.46258353331415797
Energy: 0.4639830319924039
Energy: 0.4785258766383044
Energy: 0.464004221933985
Energy: 0.47720224636779274
Energy: 0.443068467322423
Energy: 0.4411034863914451
Energy: 0.44126011380338837
Energy: 0.44167588310472244
Energy: 0.4451428781115023
Energy: 0.44140532682135886
Energy: 0.45434820525640357
Energy: 0.44027225322724595
Energy: 0.4405462067083546
Energy: 0.45156645088082153
Energy: 0.44013402940767765
Energy: 0.4406953918666556
Energy: 0.5250432660862693
Energy: 0.4462845659200664
Energy: 0.44712736396877606
Energy: 0.5156364822172768
Energy: 0.4461230228954172
Energy: 0.47571815695888037
Energy: 0.5069804256114249
Energy: 0.4356211011339985
Energy: 0.44201256854627263
Energy: 0.4979265105503311
Energy: 0.4347284118838571
Energy: 0.4420672799037043
Energy: 0.47486001268962685
Energy: 0.4831275765822985
Energy: 0.46502541439174155
Energy: 0.4399855776624684
Energy: 0.5009904698054478
Energy: 0.4408781386407261
Energy: 0.45277499390702874
Energy: 0.5083265630324798
Energy: 0.4469798415212434
Energy: 0.44555183350417205
Energy: 0.5027611641852637
Energy: 0.4464305728610828
Energy: 0.5357238261232122
Energy: 0.44723244796222944
Energy: 0.44924601602072467
Energy: 0.4483246096332197
Energy: 0.44962965852323017
Energy: 0.44968620740969867
Energy: 0.5262846645321602
Energy: 0.44560108071094884
Energy: 0.44555638844984363
Energy: 0.44670060328093475
Energy: 0.4454858036357262
Energy: 0.4455816189279609
Energy: 0.4718048386828061
Energy: 0.5264855047559373
Energy: 0.5314461045472864
Energy: 0.4841149115853101
Energy: 0.5024305738262157
Energy: 0.4628303477722235

minimum gb energy = 0.4347284118838571 eV
minimum distance =  2.63572175382489 Angstroms
sigma value = 101


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

Energy: 0.667539153645753
Energy: 0.5646815350537777
Energy: 0.4317731804577011
Energy: 0.5800937933381373
Energy: 0.42967464419465884
Energy: 0.58068824726782
Energy: 0.5665820099304284
Energy: 0.43072496477044614
Energy: 0.43071996879599495
Energy: 0.45343250460471607
Energy: 0.43302349214615343
Energy: 0.43098137538768044
Energy: 0.5384016909746989
Energy: 0.4296578426743905
Energy: 0.42564697653164235
Energy: 0.4993781726015366
Energy: 0.42949337888011857
Energy: 0.5018880419474963
Energy: 0.43927748328732646
Energy: 0.4309268217561121
Energy: 0.43118626144197175
Energy: 0.4300534868921944
Energy: 0.4303820926766479
Energy: 0.42616399271871247
Energy: 0.4335367361174269
Energy: 0.4972171237752312
Energy: 0.4597196257822556
Energy: 0.43206787789063283
Energy: 0.4987153690044176
Energy: 0.43384430008167935
Energy: 0.4551972286998177
Energy: 0.4677861142645924
Energy: 0.4557995318216378
Energy: 0.4336446095286298
Energy: 0.4664903924838795
Energy: 0.4311395910943338
Energy: 0.4630078466431539
Energy: 0.42487833321426893
Energy: 0.4249871294961927
Energy: 0.4514456284287761
Energy: 0.4253946438210748
Energy: 0.5066461395144235
Energy: 0.4252299586057075
Energy: 0.4546343378238106
Energy: 0.45546943096166514
Energy: 0.43393867305946143
Energy: 0.42894360196520537
Energy: 0.46692199624241876
Energy: 0.42621281256941723
Energy: 0.4258439742223155
Energy: 0.4258563611219588
Energy: 0.43111311040344735
Energy: 0.4253342067600101
Energy: 0.4303467655386588
Energy: 0.4250171731938571
Energy: 0.43246387377799816
Energy: 0.43267616565896316
Energy: 0.4306347825433618
Energy: 0.44851489139358386
Energy: 0.4331185814473479
Energy: 0.5322909756314061
Energy: 0.4162813914910376
Energy: 0.5477644554696302
Energy: 0.4970951240724405
Energy: 0.41665137701558297
Energy: 0.5463164063123885
Energy: 0.46523730650899964
Energy: 0.4321983903760619
Energy: 0.43275504401814313
Energy: 0.43463759594373325
Energy: 0.43107668251532055
Energy: 0.4329430878907517
Energy: 0.5539934006810532
Energy: 0.49974945948474014
Energy: 0.45861066718288546
Energy: 0.42541101358358835
Energy: 0.5239492189987237
Energy: 0.4290828817200738
Energy: 0.4369671978646766
Energy: 0.4461303699601918
Energy: 0.4451686283934384
Energy: 0.42392655014365
Energy: 0.452959722243905
Energy: 0.4328575079749125
Energy: 0.5282486349497241
Energy: 0.4331924409683808
Energy: 0.4316034101613724
Energy: 0.43176322077947293
Energy: 0.4282098704087741
Energy: 0.4317084023520399
Energy: 0.5289037568072786
Energy: 0.43092321079497997
Energy: 0.43139429873437424
Energy: 0.45969330196085756
Energy: 0.4303415245278186
Energy: 0.43149936474844963
Energy: 0.67028890365657
Energy: 0.5061850149584711
Energy: 0.43840180117127553
Energy: 0.5330362466920372
Energy: 0.5073209310506546
Energy: 0.578418117696969
Energy: 0.4980150834868413
Energy: 0.44598558798131244
Energy: 0.42641959722370193
Energy: 0.4361893190458734
Energy: 0.4331805289085174
Energy: 0.4343674358694383
Energy: 0.5406885505841105
Energy: 0.42667266192655895
Energy: 0.42636000874169583
Energy: 0.5090951356215158
Energy: 0.4266598455902659
Energy: 0.4262681145369071
Energy: 0.47664527636095105
Energy: 0.43085874618780046
Energy: 0.4260246681656667
Energy: 0.4876097416508961
Energy: 0.42623032034415875
Energy: 0.4256744075334098
Energy: 0.4353733372434638
Energy: 0.49671153268118284
Energy: 0.5016990777209872
Energy: 0.4339855660594174
Energy: 0.501710106330063
Energy: 0.43267135573566695
Energy: 0.45381163125410207
Energy: 0.42641477304253245
Energy: 0.4313471053959896
Energy: 0.43339660404825114
Energy: 0.46937502877045717
Energy: 0.43113844010029323
Energy: 0.4628616999876699
Energy: 0.42316787882851076
Energy: 0.4239307923092276
Energy: 0.45031440640835446
Energy: 0.4253057607876871
Energy: 0.4247550749037379
Energy: 0.42460126850407975
Energy: 0.42335382015417045
Energy: 0.4482126939547624
Energy: 0.4355422398883198
Energy: 0.42311541516349527
Energy: 0.4288967872832275
Energy: 0.4302202942790626
Energy: 0.42984213063202487
Energy: 0.4300027578862819
Energy: 0.4307813067245304
Energy: 0.4277218900515176
Energy: 0.43024961129184575
Energy: 0.4259750573452202
Energy: 0.4364583174388176
Energy: 0.43259355279632955
Energy: 0.432415107356082
Energy: 0.43652759457616025
Energy: 0.43599271513064763
Energy: 0.5316562475950396
Energy: 0.41601898489996325
Energy: 0.4882972952170428
Energy: 0.4516663592154738
Energy: 0.4192520481214901
Energy: 0.5298831820315224
Energy: 0.48709244482811836
Energy: 0.4261827013390889
Energy: 0.42564892768905666
Energy: 0.4861394767985933
Energy: 0.4163644470256373
Energy: 0.43199105983259944
Energy: 0.43821455860928216
Energy: 0.4320347942488653
Energy: 0.45283930180051557
Energy: 0.42430993134770195
Energy: 0.4997130296066156
Energy: 0.4527852680331426
Energy: 0.438229359252423
Energy: 0.4259638874119019
Energy: 0.4301472282341576
Energy: 0.4246913079468083
Energy: 0.4510839300454783
Energy: 0.42634986365845634
Energy: 0.5411215217551163
Energy: 0.43582508879550896
Energy: 0.43202261529080044
Energy: 0.4358301876475027
Energy: 0.4357068058756667
Energy: 0.43189035088366134
Energy: 0.5288373553888884
Energy: 0.4305798521130742
Energy: 0.43087904307571445
Energy: 0.42717439942910834
Energy: 0.4305031470178663
Energy: 0.43102418842200835
Energy: 0.43879525582867324
Energy: 0.47347009087890785
Energy: 0.4643301606472472
Energy: 0.41674821950465996
Energy: 0.46155172669404915
Energy: 0.46484050343331557

minimum gb energy = 0.41601898489996325 eV
minimum distance =  2.64862291067972 Angstroms
sigma value = 33


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

Energy: 0.011785285293460896
Energy: 0.3775236261896057
Energy: 0.012126858492804465
Energy: 0.013208065449383384
Energy: 0.3799775413462253
Energy: 0.012193649134035046
Energy: 0.36411605601593466
Energy: 0.06954732987624822
Energy: 0.06812109945798911
Energy: 0.06753370097425795
Energy: 0.06822157987423226
Energy: 0.06826581112026335
Energy: 0.6736406312066067
Energy: 0.37831209927883025
Energy: 0.3772169049672377
Energy: 0.37721566618005664
Energy: 0.3770778892637111
Energy: 0.37694226725987007
Energy: 0.36411605601593466
Energy: 0.06954732987624822
Energy: 0.06812109945763262
Energy: 0.06753370097390145
Energy: 0.06822157987387575
Energy: 0.06826581111955035

minimum gb energy = 0.011785285293460896 eV
minimum distance =  2.81498912413854 Angstroms
sigma value = 1