Model name: model_name=EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
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=4.128871455788613
cohesive_energy=3.7144354827541424
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=[2.53307330188668e-19, 2.72959628781312e-19, 3.1593641481172796e-19, 3.4645627751279396e-19, 3.7803838332220197e-19, 4.0803753861721796e-19, 4.36134910247676e-19, 4.60387057956534e-19, 4.8013228279395e-19, 4.96259792791794e-19, 5.098750898275259e-19, 5.21466837774516e-19, 5.31483646090284e-19, 5.4157575670785e-19, 5.518200741056459e-19, 5.61477994855398e-19, 5.70081683379978e-19, 5.77373189241312e-19, 5.83259586194628e-19, 5.87837004837966e-19, 5.91206382299268e-19, 5.93452633940136e-19, 5.94689514301584e-19, 5.95070832340476e-19, 5.946574707689039e-19, 5.9332285763278195e-19, 5.909308079182199e-19, 5.873595562010339e-19, 5.825001544701119e-19, 5.76242052537708e-19, 5.684730980394419e-19, 5.590474929016199e-19, 5.477569541618219e-19, 5.34329111792268e-19, 5.18518832767956e-19, 4.99883916337902e-19, 4.77644102481348e-19, 4.50693889320834e-19, 4.1738784145324197e-19, 3.75338715693912e-19, 3.21478343788734e-19, 2.5215696736545595e-19, 1.63737645464898e-19, 5.2003769621698797e-20, -9.06806340017856e-20, -2.8015660622123996e-19, -4.17240441202914e-19, -5.8301605534626e-19, -9.08748178098264e-19, -1.46817058033224e-18, -2.4868344842294397e-18, -4.25568555346446e-18, -7.39646445262734e-18, -1.3253397377644079e-17]
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: 0.010981148411819588
Energy: 39.936796542994415
Energy: 0.011707436838057472
Energy: 0.012416795915203725
Energy: 0.19836162622267847
Energy: 0.011510843566182741
Energy: 39.936796542994415
Energy: 0.046163990526989745
Energy: 0.046030197674449595
Energy: 39.935255395313426
Energy: 0.04594326162534125
Energy: 0.045950134190802724
Energy: 0.011707436836882164
Energy: 0.04603019767658651
Energy: 0.04632427582578689
Energy: 0.011891418460486221
Energy: 0.04589351643495894
Energy: 0.04649880266863141
Energy: 0.012416795914509225
Energy: 39.935255395313426
Energy: 0.011891418461421123
Energy: 0.011232757415507492
Energy: 0.04591795736777957
Energy: 0.011461005075976116
Energy: 0.19836162622104908
Energy: 0.04594326162416595
Energy: 0.045893516434024034
Energy: 0.04591795736826038
Energy: 0.04604799110534046
Energy: 0.04593545804397952
Energy: 0.011510843566182741
Energy: 0.045950134190108224
Energy: 0.04649880267004713
Energy: 0.011461005076697327
Energy: 0.04593545804280421
Energy: 0.011750714879587044

minimum gb energy = 0.010981148411819588 eV
minimum distance =  2.90865457981609 Angstroms
sigma value = 1


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

Energy: 0.6406611323490338
Energy: 0.6153163276717356
Energy: 0.4220605273429263
Energy: 0.4072555520771935
Energy: 0.6151375647567815
Energy: 0.4223651753194664
Energy: 0.5628826514556613
Energy: 0.421260694113993
Energy: 0.4212259605236104
Energy: 0.41482228620895106
Energy: 0.42094391482536125
Energy: 0.4100279810069854
Energy: 0.5742798473606395
Energy: 0.422081242539033
Energy: 0.4210336546922419
Energy: 0.41630159353562324
Energy: 0.4227441078732573
Energy: 0.4028471078156226
Energy: 0.6153075509738871
Energy: 0.4018628318999886
Energy: 0.4013140912642264
Energy: 0.4013256382432889
Energy: 0.4275815876125417
Energy: 0.4014840236772509
Energy: 0.5633812211494279
Energy: 0.41750636247001016
Energy: 0.41724049340724834
Energy: 0.415580592241963
Energy: 0.41859526898921623
Energy: 0.41695088075961234
Energy: 0.5609652589660822
Energy: 0.4167409284237979
Energy: 0.4163905732317578
Energy: 0.4101235130372599
Energy: 0.4183124899656691
Energy: 0.4111529786879472
Energy: 0.5614735610521102
Energy: 0.4131823454644406
Energy: 0.41215457658592647
Energy: 0.4100653417559832
Energy: 0.39144862732448177
Energy: 0.41296558264674044
Energy: 0.45986512923024153
Energy: 0.41481958669012736
Energy: 0.41513800523297956
Energy: 0.3914372651479621
Energy: 0.41609297824280345
Energy: 0.41170355741557313
Energy: 0.46179235465554463
Energy: 0.4134009176591001
Energy: 0.41096136204003786
Energy: 0.4183291485715597
Energy: 0.41504597629763623
Energy: 0.41598270808896787
Energy: 0.46404486305870346
Energy: 0.4164971523904381
Energy: 0.41577517461820934
Energy: 0.41553094090246506
Energy: 0.4070459863522522
Energy: 0.41696293933716777
Energy: 0.46515947798607116
Energy: 0.40429952232870514
Energy: 0.4032991793560504
Energy: 0.4379382364446399
Energy: 0.40356894162237705
Energy: 0.41984406409864533
Energy: 0.42437031481608045
Energy: 0.4100961892071323
Energy: 0.40190588389524745
Energy: 0.4239338627609039
Energy: 0.4148263575545681
Energy: 0.42232556231621327
Energy: 0.4214516413814183
Energy: 0.405202633420827
Energy: 0.4113047314118248
Energy: 0.4213525527090396
Energy: 0.4144931350920078
Energy: 0.4144431309145843
Energy: 0.463239370222464
Energy: 0.4014658936836528
Energy: 0.393057243119621
Energy: 0.4180705271181492
Energy: 0.4017233002166897
Energy: 0.42160192566344457
Energy: 0.4375087043451009
Energy: 0.4078869508212405
Energy: 0.4154393263522265
Energy: 0.42366052770926294
Energy: 0.4111747269370615
Energy: 0.4212337041336516
Energy: 0.435140148968685
Energy: 0.413639920419637
Energy: 0.40253010862392646
Energy: 0.4226738144849203
Energy: 0.4161421503668161
Energy: 0.4016983395877077
Energy: 0.5350668923325241
Energy: 0.41005418324867526
Energy: 0.41127333012470546
Energy: 0.40205379831153404
Energy: 0.4100723380395314
Energy: 0.40190475443248225
Energy: 0.5096355021621953
Energy: 0.41005764555533136
Energy: 0.41365699976334336
Energy: 0.41416097975394967
Energy: 0.3865271203523769
Energy: 0.41343614188066724
Energy: 0.5100104179890494
Energy: 0.41493264227026705
Energy: 0.413460480703584
Energy: 0.41403356005836317
Energy: 0.41776687612551416
Energy: 0.41330150835914603
Energy: 0.5441432407608878
Energy: 0.41536056406051586
Energy: 0.41362728015075884
Energy: 0.40020414112715824
Energy: 0.4182146776104913
Energy: 0.4131095820048512
Energy: 0.5879785320576701
Energy: 0.4025630863352557
Energy: 0.39593241637990256
Energy: 0.403436364207994
Energy: 0.41885780037881504
Energy: 0.403915652643762
Energy: 0.5844688691502866
Energy: 0.4229137629497258
Energy: 0.4238059382748789
Energy: 0.41577445478705005
Energy: 0.4215261738502616
Energy: 0.40219869967163585
Energy: 0.5839799835138967
Energy: 0.4212092232901822
Energy: 0.42140607674634506
Energy: 0.41349238385977444
Energy: 0.42127339767061867
Energy: 0.41654258789626913

minimum gb energy = 0.3865271203523769 eV
minimum distance =  2.67459397736573 Angstroms
sigma value = 33


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

Energy: 0.7356100334291128
Energy: 0.4261125789464586
Energy: 0.41575528707221276
Energy: 0.4072756396275237
Energy: 0.5732799913457548
Energy: 0.43020461435494173
Energy: 0.5474816605864733
Energy: 0.4246235133983744
Energy: 0.4195269725237435
Energy: 0.42264451900005673
Energy: 0.4260184617516142
Energy: 0.42344887015964283
Energy: 0.5822122618274567
Energy: 0.42410966951219364
Energy: 0.4233904811085166
Energy: 0.4362709147443417
Energy: 0.42334629492716863
Energy: 0.4197624453730354
Energy: 0.5723817659235269
Energy: 0.4503715837653584
Energy: 0.4145503083276469
Energy: 0.421491865660097
Energy: 0.45030955285536084
Energy: 0.421397050232134
Energy: 0.5425947969035912
Energy: 0.431107240011016
Energy: 0.42586078918874315
Energy: 0.4227837350313309
Energy: 0.43201097300869595
Energy: 0.4565692181223584
Energy: 0.5793729483110264
Energy: 0.4539435467740128
Energy: 0.43148542907462023
Energy: 0.4403147468509873
Energy: 0.4543741349983105
Energy: 0.44044042407969486
Energy: 0.5794870108043298
Energy: 0.4373195048857318
Energy: 0.4383254628974907
Energy: 0.44112891711020413
Energy: 0.4377213655844881
Energy: 0.4343973700318131
Energy: 0.5429385366622873
Energy: 0.43769142063069416
Energy: 0.436081819809912
Energy: 0.4207756075841371
Energy: 0.4347619690429731
Energy: 0.43506543098896416
Energy: 0.4802740972798624
Energy: 0.4362780310363693
Energy: 0.44771382665393156
Energy: 0.4515034840518882
Energy: 0.4342488810738703
Energy: 0.45218209822972844
Energy: 0.4804231303590737
Energy: 0.4508039827709349
Energy: 0.4498839758994071
Energy: 0.452327887540465
Energy: 0.4484027477860695
Energy: 0.4521665609445309
Energy: 0.49547948874142994
Energy: 0.38477082013713926
Energy: 0.3850203954922904
Energy: 0.4343239172462922
Energy: 0.38477644779055425
Energy: 0.38580356516593045
Energy: 0.4507941707587524
Energy: 0.42030110057209574
Energy: 0.43538969107130304
Energy: 0.44747078907556026
Energy: 0.42214193805936384
Energy: 0.44570143631693604
Energy: 0.446277939168655
Energy: 0.4479138204402054
Energy: 0.44025897523644414
Energy: 0.44618904913147667
Energy: 0.4513848285993611
Energy: 0.4480583091497156
Energy: 0.4526262621325867
Energy: 0.4214432001159788
Energy: 0.4215131977448251
Energy: 0.4636043348201355
Energy: 0.4215118104147075
Energy: 0.413080474997789
Energy: 0.4837828241735018
Energy: 0.449159732264303
Energy: 0.44919508052184903
Energy: 0.4528269059296105
Energy: 0.44985976206274997
Energy: 0.4528250540022501
Energy: 0.4778761200482081
Energy: 0.4380635142390776
Energy: 0.4395239957728942
Energy: 0.45310970511494014
Energy: 0.4371773848522195
Energy: 0.4543708415779305
Energy: 0.4784910252281098
Energy: 0.4391101552140666
Energy: 0.43966832581377563
Energy: 0.43115664469917026
Energy: 0.43961942315060654
Energy: 0.4352147528582391
Energy: 0.5084543437481888
Energy: 0.45573428310213765
Energy: 0.44203087970420696
Energy: 0.434594559598695
Energy: 0.4566417509195927
Energy: 0.4348952562213231
Energy: 0.5099815286189674
Energy: 0.4512616180275107
Energy: 0.4521442976070108
Energy: 0.43420583205911967
Energy: 0.4518101343650928
Energy: 0.4499564232716105
Energy: 0.5550924890609804
Energy: 0.4524604260145621
Energy: 0.45222968903575367
Energy: 0.44873968470088654
Energy: 0.45276241241282017
Energy: 0.45296333482510437
Energy: 0.6180004916523986
Energy: 0.44159893825384805
Energy: 0.3847977674882193
Energy: 0.38512785217206996
Energy: 0.46435695581899983
Energy: 0.38463611586385466
Energy: 0.5791433215326873
Energy: 0.44709230969860736
Energy: 0.4467349476596963
Energy: 0.4194275358744381
Energy: 0.44688967645013256
Energy: 0.44883106854447763
Energy: 0.5669156330062625
Energy: 0.44668921334107187
Energy: 0.44691698066880525
Energy: 0.45097857633434507
Energy: 0.4506648625053278
Energy: 0.444768401252228
Energy: 0.5727356233779208
Energy: 0.4477180945824803
Energy: 0.457064145394287
Energy: 0.42209439168701923
Energy: 0.45346136278153276
Energy: 0.43280790893077764
Energy: 0.5407487451912145
Energy: 0.4508557839636832
Energy: 0.45487057091168176
Energy: 0.4502858896499982
Energy: 0.4542240531293668
Energy: 0.45402063597366416
Energy: 0.582273011757541
Energy: 0.451598371847965
Energy: 0.4526534871220641
Energy: 0.4531108315645314
Energy: 0.4519071421038426
Energy: 0.4381534547060923
Energy: 0.5787819437394766
Energy: 0.4346144511951845
Energy: 0.433919411150726
Energy: 0.4390127849306919
Energy: 0.42575057558543744
Energy: 0.4397967013306213
Energy: 0.5433013720946448
Energy: 0.43728812580108856
Energy: 0.43527494472540745
Energy: 0.4515354995271255
Energy: 0.43430445886486585
Energy: 0.4508079060297216
Energy: 0.48332075952650544
Energy: 0.43738386563620235
Energy: 0.43533638664235486
Energy: 0.4527950269618334
Energy: 0.43438907399759974
Energy: 0.4523522193006962
Energy: 0.4820597140977432
Energy: 0.4488980399977718
Energy: 0.45066732260051207
Energy: 0.45208263838930807
Energy: 0.44962632992337476
Energy: 0.450051524091024
Energy: 0.4838341361208565
Energy: 0.3848402223478304
Energy: 0.38468528470094093
Energy: 0.44019043859254386
Energy: 0.38481080436714943
Energy: 0.384742316594077
Energy: 0.44620294227521556
Energy: 0.4056722805540312
Energy: 0.40743330908424813
Energy: 0.4461158850356879
Energy: 0.4243792229326657
Energy: 0.4489513007239062
Energy: 0.44835743959012275
Energy: 0.4501250410286984
Energy: 0.44986437532989737
Energy: 0.44905757155178244
Energy: 0.4492895850110575
Energy: 0.44680675316107615
Energy: 0.4503731700475393
Energy: 0.422028097431554
Energy: 0.4223277593675912
Energy: 0.45032489353923805
Energy: 0.42202887171040054
Energy: 0.4271559408617854
Energy: 0.47791560165510427
Energy: 0.45116623207919004
Energy: 0.450329483615091
Energy: 0.4515471630995145
Energy: 0.45165317184698606
Energy: 0.4533398838281948
Energy: 0.4767855694952053
Energy: 0.43264658551277524
Energy: 0.4405758071678717
Energy: 0.4543731626977934
Energy: 0.4444074317918429
Energy: 0.4539741059648026
Energy: 0.4779277480516719
Energy: 0.4089502776048154
Energy: 0.4068329111102118
Energy: 0.41293973482207785
Energy: 0.4073984082701042
Energy: 0.40659701363591316
Energy: 0.5107864198458076
Energy: 0.45090046252981575
Energy: 0.42177894938815674
Energy: 0.43412762502719326
Energy: 0.41880107594595833
Energy: 0.4522437936795442
Energy: 0.5077462225297824
Energy: 0.4300022536380425
Energy: 0.42769472250822704
Energy: 0.4345791472488148
Energy: 0.42816252345024863
Energy: 0.43526891042645943
Energy: 0.5427511316783731
Energy: 0.42782191893945526
Energy: 0.4261286421736858
Energy: 0.42493198529406706
Energy: 0.42871961245473295
Energy: 0.42428155118343813
Energy: 0.6465023933106692
Energy: 0.4165708364957973
Energy: 0.38485791632371463
Energy: 0.3848532091919021
Energy: 0.4098676528931708
Energy: 0.4013593950548743

minimum gb energy = 0.38463611586385466 eV
minimum distance =  2.64210313470531 Angstroms
sigma value = 51


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

Energy: 0.6567411516234724
Energy: 0.6388197166188725
Energy: 0.40051662669418825
Energy: 0.38847279267572765
Energy: 0.6551388122468268
Energy: 0.4257947027459107
Energy: 0.49383519130153397
Energy: 0.42765460624240975
Energy: 0.4281574641375985
Energy: 0.39889788983850155
Energy: 0.42809254532934554
Energy: 0.411693821147075
Energy: 0.5742117255336879
Energy: 0.42700649388671363
Energy: 0.42678081465557166
Energy: 0.3849938133883868
Energy: 0.42776131252666577
Energy: 0.41167720565640237
Energy: 0.5670075558765679
Energy: 0.39544310999864446
Energy: 0.39495592099478144
Energy: 0.38902792396772196
Energy: 0.395681399575284
Energy: 0.3990803192884844
Energy: 0.5347575774273479
Energy: 0.42893536916613567
Energy: 0.43029742707873164
Energy: 0.41484970012015493
Energy: 0.4292619600708639
Energy: 0.42954964362881254
Energy: 0.49563108713634535
Energy: 0.4307649880052486
Energy: 0.42940248906615824
Energy: 0.4228588387846224
Energy: 0.4227421915053398
Energy: 0.4195288529594854
Energy: 0.4952536346987077
Energy: 0.4100577686703617
Energy: 0.41459423495635245
Energy: 0.42284605340628506
Energy: 0.41417375272300383
Energy: 0.42958767278138904
Energy: 0.4890738972706007
Energy: 0.38180805365167575
Energy: 0.39100386702246037
Energy: 0.3947043258665884
Energy: 0.3816824275627549
Energy: 0.3911031684682775
Energy: 0.42696352579929975
Energy: 0.39172289269465604
Energy: 0.3914581409907631
Energy: 0.427027487188873
Energy: 0.3851574619606656
Energy: 0.412023619612345
Energy: 0.42916953393534446
Energy: 0.3944838307820644
Energy: 0.4024923625462628
Energy: 0.4294260942748629
Energy: 0.39484241042542184
Energy: 0.4281321616424969
Energy: 0.43927593754453903
Energy: 0.38937604441335993
Energy: 0.39408695138231653
Energy: 0.43928500322533437
Energy: 0.3925182882873803
Energy: 0.3953756864523234
Energy: 0.44368149086646586
Energy: 0.39476949615434503
Energy: 0.4020834350735628
Energy: 0.41191624993442144
Energy: 0.40225232465650146
Energy: 0.4120145228311898
Energy: 0.4428128701637263
Energy: 0.40750201411627407
Energy: 0.4076751704469339
Energy: 0.4300166121060507
Energy: 0.4255695267820562
Energy: 0.4301468898373839
Energy: 0.44395145542375625
Energy: 0.3896547198302541
Energy: 0.3900541534801225
Energy: 0.4164199276346737
Energy: 0.4025714567378888
Energy: 0.4009630257156288
Energy: 0.522955229315673
Energy: 0.3894596662587547
Energy: 0.4008355082734991
Energy: 0.41465760922067224
Energy: 0.38981637522865276
Energy: 0.40113446454663537
Energy: 0.5232887108353953
Energy: 0.4301059011246052
Energy: 0.4122373246302198
Energy: 0.3959990661148358
Energy: 0.4300733106533563
Energy: 0.39632471332005215
Energy: 0.5307723733331547
Energy: 0.43094477769547446
Energy: 0.43005334813301327
Energy: 0.41338547843312806
Energy: 0.4322044505504552
Energy: 0.43018909823873314
Energy: 0.6122629787605542
Energy: 0.41133594638490356
Energy: 0.4115655401404396
Energy: 0.39806635448628597
Energy: 0.41170419880060943
Energy: 0.39564870911463607

minimum gb energy = 0.3816824275627549 eV
minimum distance =  2.71046303811889 Angstroms
sigma value = 19


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

Energy: 0.5856452976421251
Energy: 16.091720255988932
Energy: 0.37019284178445655
Energy: 0.4387983003098928
Energy: 0.4234652193166815
Energy: 0.41397387056831597
Energy: 0.5065086529089615
Energy: 0.4104318170425881
Energy: 0.397606300046838
Energy: 0.3997886913962399
Energy: 0.3975165288941728
Energy: 0.39745525001686366
Energy: 0.6146598047453509
Energy: 0.41059654054577205
Energy: 0.41078118176191125
Energy: 0.3876953657280737
Energy: 0.41087537157394416
Energy: 0.41069545611826197
Energy: 0.48302412754211776
Energy: 0.4415115718866481
Energy: 0.41130495839536185
Energy: 0.4230896290049963
Energy: 0.4406836212963372
Energy: 0.41082502723407477
Energy: 0.5057584643784876
Energy: 0.41079704291870506
Energy: 0.4117415145375038
Energy: 0.41175919875019135
Energy: 0.41022927135245724
Energy: 0.41052809259350276
Energy: 0.5072624830493412
Energy: 0.4080080103591737
Energy: 0.45570144561274156
Energy: 0.45161693878013587
Energy: 0.4080080865032067
Energy: 0.44744225234639434
Energy: 0.5084108638865822
Energy: 0.45040386883235606
Energy: 0.44986129009569553
Energy: 0.45005365833431
Energy: 0.4359564008086418
Energy: 0.44866792974181213
Energy: 0.4876085635893005
Energy: 0.3755719529751385
Energy: 0.37537890340170404
Energy: 0.43510367882096096
Energy: 0.37531766601146993
Energy: 0.37539375978007333
Energy: 0.44152236899675873
Energy: 0.37533108058997056
Energy: 0.37534089942044513
Energy: 0.44157795761266944
Energy: 0.37553121126815386
Energy: 0.382195283091712
Energy: 0.4420722519834311
Energy: 0.44110895910414133
Energy: 0.4416384580803661
Energy: 0.4419405162309263
Energy: 0.45128736984517015
Energy: 0.4416798802599009
Energy: 0.4415979791757762
Energy: 0.44209387746283485
Energy: 0.4424249920966567
Energy: 0.44162787421337757
Energy: 0.4428636075819719
Energy: 0.44163900810579027
Energy: 0.4812049480039128
Energy: 0.453607745904323
Energy: 0.4524557786293246
Energy: 0.4421065984553917
Energy: 0.4516120968314652
Energy: 0.4554702808283898
Energy: 0.4080483781516613
Energy: 0.4500766005131091
Energy: 0.44737991481759215
Energy: 0.40902986159164473
Energy: 0.4495486386715222
Energy: 0.4573830545708919
Energy: 0.4816159134656041
Energy: 0.4491895478542625
Energy: 0.449250862036949
Energy: 0.44476229673823764
Energy: 0.44918299172173726
Energy: 0.4496592721704083
Energy: 0.5334532335531892
Energy: 0.4381157680048457
Energy: 0.4380893925956655
Energy: 0.37559727617406374
Energy: 0.43833819945721053
Energy: 0.37544323487783327
Energy: 0.5335164490492621
Energy: 0.4561610973422223
Energy: 0.37226935391230853
Energy: 0.37530332578516423
Energy: 0.4544004983561737
Energy: 0.37212183461705933
Energy: 0.588690644109719
Energy: 0.44177982639657704
Energy: 0.4419363649585786
Energy: 0.45446969712992497
Energy: 0.4429693402016578
Energy: 0.44182348187332443
Energy: 0.48453716900714633
Energy: 0.44161681723956847
Energy: 0.4416154896478431
Energy: 0.4228863646959343
Energy: 0.4416831927292255
Energy: 0.44160171104843216
Energy: 0.48260982305619815
Energy: 0.4416159138342693
Energy: 0.4374152984591431
Energy: 0.42294712180425315
Energy: 0.4415133857733324
Energy: 0.4379762002004317
Energy: 0.5086658188301083
Energy: 0.40791710495763767
Energy: 0.45752337772895807
Energy: 0.45073646495799075
Energy: 0.40801800509030284
Energy: 0.45646077699261683
Energy: 0.5083040905279922
Energy: 0.44804918860086707
Energy: 0.4505787537940839
Energy: 0.45077522089251476
Energy: 0.44837708662832376
Energy: 0.4504814796594996
Energy: 0.5080472280450904
Energy: 0.4447696731685228
Energy: 0.4499700709239333
Energy: 0.4485305443531459
Energy: 0.4250500405288072
Energy: 0.44967757528745594
Energy: 0.5087327136257739
Energy: 0.3679448628669559
Energy: 0.36836514681916266
Energy: 0.48819587189192354
Energy: 0.3753119177048008
Energy: 0.404540852216418
Energy: 0.4414946308500822
Energy: 0.4078987312768208
Energy: 0.4398650627098233
Energy: 0.4427262800863108
Energy: 0.39754565332918473
Energy: 0.44142055324871354
Energy: 0.44141493756230255
Energy: 0.4436962669477889
Energy: 0.4426436135229811
Energy: 0.44267172569177904
Energy: 0.45235713490635887
Energy: 0.4403530681030929
Energy: 0.488572565420904
Energy: 0.4237127849441564
Energy: 0.42371751152937714
Energy: 0.4223478025653695
Energy: 0.4233554768075939
Energy: 0.39745020530561553
Energy: 0.5147206809895122
Energy: 0.4122613096827056
Energy: 0.41680297028445945
Energy: 0.41514014904895863
Energy: 0.4134661654177374
Energy: 0.4176321547812332
Energy: 0.40782441898207833
Energy: 0.42003027924091446
Energy: 0.41297779517426986
Energy: 0.4079151109677874
Energy: 0.41222796564374387
Energy: 0.41300510291801007
Energy: 0.4885480296529353
Energy: 0.4210020193790604
Energy: 0.4073405386309148
Energy: 0.3985440991197175
Energy: 0.42039418990136773
Energy: 0.41945199589885385
Energy: 0.57743319583216
Energy: 0.4081864956950891
Energy: 0.372854661695671
Energy: 0.375516981695447
Energy: 0.40425918189877996
Energy: 0.4000806172554051

minimum gb energy = 0.3679448628669559 eV
minimum distance =  2.66870203149652 Angstroms
sigma value = 27


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

Energy: 0.46223655944266656
Energy: 0.3900076342126557
Energy: 0.4519382774029781
Energy: 0.3315641839936584
Energy: 0.6808052038516045
Energy: 0.4511659821622672
Energy: 0.4524103475410822
Energy: 0.38799612459907507
Energy: 0.38870749472756627
Energy: 0.3772512017086208
Energy: 0.3881107941897576
Energy: 0.36225539291410286
Energy: 0.41564309328615334
Energy: 0.3883992328631831
Energy: 0.3883896540207538
Energy: 0.35155926076811483
Energy: 0.39045762998500483
Energy: 0.36026889149754204
Energy: 0.416366211864103
Energy: 0.3682864830183868
Energy: 0.3398299595168674
Energy: 0.351609597715557
Energy: 0.4165416880683719
Energy: 0.33894729116169425
Energy: 0.45201115490436256
Energy: 0.3477192029111069
Energy: 0.33988529893597497
Energy: 0.36854852942206345
Energy: 0.34815621272536357
Energy: 0.3412325973750877
Energy: 0.3885774564155392
Energy: 0.34794101460209237
Energy: 0.34745953053835094
Energy: 0.3886253273061604
Energy: 0.34815807079705813
Energy: 0.33674190288507444
Energy: 0.390224954761449
Energy: 0.35378308376815076
Energy: 0.3604423078511611
Energy: 0.390635058317142
Energy: 0.35295060888102164
Energy: 0.3608168777683375
Energy: 0.3882900015520152
Energy: 0.35014895246326144
Energy: 0.3498401161462799
Energy: 0.38832369651510357
Energy: 0.3502420484465553
Energy: 0.3500108936421976
Energy: 0.4145517452670673
Energy: 0.35261015032892157
Energy: 0.34112819108611475
Energy: 0.3882055090112523
Energy: 0.3505276853467494
Energy: 0.3593330712833192
Energy: 0.36607145021652376
Energy: 0.35147175527493196
Energy: 0.35103667157879087
Energy: 0.3733420244092271
Energy: 0.3725372912964116
Energy: 0.35926149887164227
Energy: 0.4158163509563667
Energy: 0.38872930757069
Energy: 0.3898581218501939
Energy: 0.372423645328261
Energy: 0.3894620016394732
Energy: 0.3866970404082846
Energy: 0.40612891912254406
Energy: 0.3595297731606606
Energy: 0.3604047519106955
Energy: 0.37620279512580507
Energy: 0.3889561595090745
Energy: 0.36004016092820557

minimum gb energy = 0.3315641839936584 eV
minimum distance =  2.73549821478322 Angstroms
sigma value = 9


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

Energy: 0.3736332707895392
Energy: 0.3550854531003346
Energy: 0.3213639672125497
Energy: 0.3083607583936209
Energy: 0.35447659545751553
Energy: 0.3212643341340091
Energy: 0.3751786065010498
Energy: 0.3369168726164896
Energy: 0.3367338699559174
Energy: 0.33079619121963505
Energy: 0.33707870197711887
Energy: 0.3268624788789959
Energy: 0.3569208774100985
Energy: 0.33975461432303744
Energy: 0.33667674931924363
Energy: 0.33661961210016905
Energy: 0.33817756929008114
Energy: 0.3347367056850557
Energy: 0.35969274630782044
Energy: 0.31641890290259167
Energy: 0.3091250271934316
Energy: 0.33527707705000503
Energy: 0.33678136550263416
Energy: 0.3092810500399751
Energy: 0.3735067920000599
Energy: 0.3221944236747738
Energy: 0.3114656303181209
Energy: 0.3400190672264915
Energy: 0.3221306999503016
Energy: 0.3103363224197218
Energy: 0.34653906887387403
Energy: 0.32546580206274695
Energy: 0.3114931574675355
Energy: 0.351058629112893
Energy: 0.32303222393612147
Energy: 0.3206670157855134
Energy: 0.34073239235051617
Energy: 0.31391108065075574
Energy: 0.3092634952114549
Energy: 0.3407294421951625
Energy: 0.3233611160318778
Energy: 0.3400678200687043
Energy: 0.3422740497200261
Energy: 0.3391518597837952
Energy: 0.31059464539675646
Energy: 0.3422425515122989
Energy: 0.334370749332153
Energy: 0.3212838668801406
Energy: 0.412841806223023
Energy: 0.3248448502895694
Energy: 0.31077138450525504
Energy: 0.3440692079544512
Energy: 0.3286028246352291
Energy: 0.33876750987658577
Energy: 0.3315874172352077
Energy: 0.32574035175140625
Energy: 0.31091256735350403
Energy: 0.3226377604007656
Energy: 0.33586095795980075
Energy: 0.3114784811663556
Energy: 0.32711331779679814
Energy: 0.3398993955087786
Energy: 0.3398352180653574
Energy: 0.32378509647816434
Energy: 0.3403141250954497
Energy: 0.3105871309740488
Energy: 0.41299767167102036
Energy: 0.3401878839847932
Energy: 0.3400273750834351
Energy: 0.31968576320569353
Energy: 0.3452990268949625
Energy: 0.3101121203246731
Energy: 0.4245658657526935
Energy: 0.40349943596189647
Energy: 0.32725560923258423
Energy: 0.335657808835632
Energy: 0.3328062681471869
Energy: 0.32030775591573346
Energy: 0.42479105010925766
Energy: 0.3363249216598764
Energy: 0.3334630429016424
Energy: 0.3190882565978427
Energy: 0.3405276106756417
Energy: 0.3092352827916529
Energy: 0.34033457034072834
Energy: 0.351603018674047
Energy: 0.3450297641183926
Energy: 0.34091922586505147
Energy: 0.3498463102486061
Energy: 0.3159224515444236
Energy: 0.3378848327561294
Energy: 0.321634857004537
Energy: 0.32161699874544997
Energy: 0.33836049304720767
Energy: 0.34104672478068015
Energy: 0.3431658852403133
Energy: 0.3368085805686526
Energy: 0.3157274231778638
Energy: 0.31038345415918595
Energy: 0.3367653163026259
Energy: 0.3158150380007975
Energy: 0.31103113992271586
Energy: 0.3606420001242857
Energy: 0.32156261281692067
Energy: 0.3094477104294052
Energy: 0.33643604260231375
Energy: 0.32643339041778513
Energy: 0.3272805985851332
Energy: 0.3565753760290247
Energy: 0.33021998843184114
Energy: 0.3262592219139808
Energy: 0.3377112486337301
Energy: 0.33974959332295673
Energy: 0.3292925057215615
Energy: 0.3570923417402761
Energy: 0.33965735501690947
Energy: 0.32851168563884725
Energy: 0.33850436316506166
Energy: 0.33876571249928517
Energy: 0.3258686378662454
Energy: 0.35700373230994664
Energy: 0.3423549789348598
Energy: 0.3439994987132665
Energy: 0.3358531251868858
Energy: 0.3384075321957536
Energy: 0.31778700691390893
Energy: 0.375672428832556
Energy: 0.33730127585215053
Energy: 0.343355006463638
Energy: 0.3229780540053186
Energy: 0.3371279169017276
Energy: 0.32344221614272384
Energy: 0.3820837705110839
Energy: 0.3367419522285487
Energy: 0.3254163637571403
Energy: 0.32243713781454947
Energy: 0.33682327702615167
Energy: 0.3051018705652703
Energy: 0.3567748467255442
Energy: 0.3404949343792854
Energy: 0.3370095782612546
Energy: 0.33898647878567106
Energy: 0.3382939609974413
Energy: 0.34217706938162884
Energy: 0.42973443731677546
Energy: 0.33738863858578566
Energy: 0.3475141013436593
Energy: 0.3355811799437688
Energy: 0.33835378868101734
Energy: 0.31661356341994173
Energy: 0.3599650518243504
Energy: 0.3168380380711905
Energy: 0.30993094200197263
Energy: 0.34250834605898484
Energy: 0.31866182423580797
Energy: 0.33084984399101175
Energy: 0.33072160648379
Energy: 0.3133287328448687
Energy: 0.31207406263243503
Energy: 0.3306829308957038
Energy: 0.3359268765283857
Energy: 0.3294758399992974
Energy: 0.3446121858117916
Energy: 0.3097724931476743
Energy: 0.3101155930637888
Energy: 0.34514855755917767
Energy: 0.31704205701407767
Energy: 0.3316650946148506
Energy: 0.3402957244809078
Energy: 0.3249600596808373
Energy: 0.3107659055630927
Energy: 0.34032540741966494
Energy: 0.3246973122134893
Energy: 0.34694409555920447
Energy: 0.34001206593333877
Energy: 0.33575228387973105
Energy: 0.3372847443374869
Energy: 0.3468912611884603
Energy: 0.3345096209783097
Energy: 0.3105324191991351
Energy: 0.3271695056220776
Energy: 0.3312503554323665
Energy: 0.33437509381620306
Energy: 0.3250277302666761
Energy: 0.3307423235004207
Energy: 0.33538795673599325
Energy: 0.5631715767083461
Energy: 0.3411753341189506
Energy: 0.3208993243476487
Energy: 0.32288060948149283
Energy: 0.3415178823464886
Energy: 0.3110046397928325
Energy: 0.42493874170968593
Energy: 0.34374512204753416
Energy: 0.3400606993665175
Energy: 0.3378039965583341
Energy: 0.34110357604914415
Energy: 0.3105325097184101
Energy: 0.3536843898292222
Energy: 0.33953169173692715
Energy: 0.3395822809990682
Energy: 0.3265052948978133
Energy: 0.3394733210761421
Energy: 0.30922737415041146
Energy: 0.3513361401699945
Energy: 0.3401756968651063
Energy: 0.3505034309327403
Energy: 0.325707147080554
Energy: 0.3400069518353262
Energy: 0.3109277955748173
Energy: 0.35146806698127503
Energy: 0.3446946752004442
Energy: 0.31970876483567817
Energy: 0.3444178885233821
Energy: 0.34566009349279814
Energy: 0.30937354763297326
Energy: 0.3379080261299463
Energy: 0.33767291302764146
Energy: 0.32184550036325194
Energy: 0.3381599512865774
Energy: 0.33865183315905395
Energy: 0.33415553018181887
Energy: 0.3368485193135597
Energy: 0.32928654603574165
Energy: 0.3213326049869734
Energy: 0.3368550120727171
Energy: 0.32956890733863076
Energy: 0.31523369276462565
Energy: 0.3623906332770992
Energy: 0.30931224985042016
Energy: 0.320184379751482
Energy: 0.36273480074162767
Energy: 0.3354761460212563
Energy: 0.33473844179592704
Energy: 0.3561022261587633
Energy: 0.33033306615836705
Energy: 0.32041614405076857
Energy: 0.3368126067279126
Energy: 0.32955026998074904
Energy: 0.3163268971615289
Energy: 0.3565432000454171
Energy: 0.32848792347863315
Energy: 0.32575309375518896
Energy: 0.3397214091241415
Energy: 0.3400896589862476
Energy: 0.33234882941755733
Energy: 0.3569590944190882
Energy: 0.3396242888714564
Energy: 0.33116825337616823
Energy: 0.3369115468205593
Energy: 0.3389694642041955
Energy: 0.3278442280864388
Energy: 0.3740176851969643
Energy: 0.33698482957322845
Energy: 0.3285525896554014
Energy: 0.3267552570167346
Energy: 0.3369697229637259
Energy: 0.3051395134920564

minimum gb energy = 0.3051018705652703 eV
minimum distance =  2.71837759904835 Angstroms
sigma value = 57


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

Energy: 0.36663712475345245
Energy: 14.826787175689413
Energy: 0.1675584545297063
Energy: 0.15596021488371525
Energy: 0.3021145986839798
Energy: 0.3222174506240837
Energy: 0.3533198780221087
Energy: 0.2639391983410539
Energy: 0.25374801726828167
Energy: 0.263878390026146
Energy: 0.26421166448492367
Energy: 0.2358457995872517
Energy: 0.3523760367520644
Energy: 0.40825942772127777
Energy: 0.2428221495015574
Energy: 0.24213020950748165
Energy: 0.26503766049149896
Energy: 0.3419681601627406
Energy: 0.3522091474780635
Energy: 0.32963392270876435
Energy: 0.3381007109790053
Energy: 0.3326979824106677
Energy: 0.3377567935103035
Energy: 0.32632711198866865
Energy: 0.35370605014177664
Energy: 0.22347003120281558
Energy: 0.2201244368561385
Energy: 0.33529053783935536
Energy: 0.22437765757220765
Energy: 0.33798562901180745
Energy: 0.346856259625502
Energy: 0.22629426107107106
Energy: 0.22657768835751088
Energy: 0.2448316702660102
Energy: 0.22573887220113456
Energy: 0.20738772368617822
Energy: 0.3517399343170117
Energy: 0.33222034823685453
Energy: 0.2748482610001723
Energy: 0.2653899593566256
Energy: 0.29988436089837417
Energy: 0.3363536955939086
Energy: 0.34801959920998665
Energy: 0.3361667063832213
Energy: 0.4116383912530846
Energy: 0.35020796707535523
Energy: 0.38348651960133134
Energy: 0.3622307916552693
Energy: 0.24255339817568117
Energy: 0.36899968113170295
Energy: 0.3812246382035895
Energy: 0.3631591368646128
Energy: 0.3682347885227182
Energy: 0.36562307950403
Energy: 0.297095889689316
Energy: 0.3516363150384343
Energy: 0.16748349983038227
Energy: 0.15900954541266216
Energy: 0.3711438239770589
Energy: 0.26938542184798303
Energy: 0.2940730669528037
Energy: 0.3740096828969972
Energy: 0.3449768163595485
Energy: 0.1548065302364154
Energy: 0.371553798322934
Energy: 0.2578344680762222
Energy: 0.3516591524897626
Energy: 0.3495640413872164
Energy: 0.3717870503779806
Energy: 0.3648878721664328
Energy: 0.36839923817863884
Energy: 0.34537456622903384
Energy: 0.533923414841124
Energy: 0.33144415526292775
Energy: 0.33831784027529976
Energy: 0.26107387681898153
Energy: 0.235079412802202
Energy: 0.343555965681822
Energy: 0.35139147576974084
Energy: 0.34443379819071906
Energy: 0.26549733403873105
Energy: 0.26468168926275604
Energy: 0.27304008530139384
Energy: 0.3437582261651571
Energy: 0.35213490260587443
Energy: 0.2245311163225989
Energy: 0.22635182206370075
Energy: 0.23493787352262008
Energy: 0.22439247569613566
Energy: 0.22694719050961146
Energy: 0.344951047649237
Energy: 0.32661691816770716
Energy: 0.3269312465482674
Energy: 0.2626587017020493
Energy: 0.2239151085613772
Energy: 0.336618223657185
Energy: 0.3444278752096905
Energy: 0.32940253838440586
Energy: 0.33863908428536277
Energy: 0.2622126033694373
Energy: 0.33013823594746156
Energy: 0.330724723542219
Energy: 0.352191373028381
Energy: 0.34090789982085523
Energy: 0.2530740404702485
Energy: 0.24317098142497864
Energy: 0.2767152664242687
Energy: 0.3251753033081929
Energy: 0.35708162803744586
Energy: 0.26435418605014943
Energy: 0.24461224887775496
Energy: 0.15493280517666574
Energy: 0.2658684374244233
Energy: 0.23452035390570947

minimum gb energy = 0.1548065302364154 eV
minimum distance =  2.73436086297409 Angstroms
sigma value = 11


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

Energy: 0.5121271966469747
Energy: 0.3462091403745137
Energy: 0.3157118084596593
Energy: 0.28711346358876405
Energy: 0.34611325098474066
Energy: 0.31784791796254197
Energy: 0.2764023109607451
Energy: 0.28026369339862206
Energy: 0.29012541516180257
Energy: 0.28377728166382615
Energy: 0.28014698390199955
Energy: 0.27961691363674424
Energy: 0.2776927719250925
Energy: 0.28361776179593334
Energy: 0.28508266453489683
Energy: 0.2779441494928122
Energy: 0.28192099045517127
Energy: 0.2747075599467805
Energy: 0.27748302065639263
Energy: 0.2903606806126149
Energy: 0.2800479607437334
Energy: 0.2779121085670055
Energy: 0.27790528688486166
Energy: 0.28447235434175533
Energy: 0.2822948086661825
Energy: 0.3076325858626297
Energy: 0.28968910586185065
Energy: 0.28245707640551143
Energy: 0.2967179982454058
Energy: 0.2898343363004351
Energy: 0.303871465394216
Energy: 0.30965046518438144
Energy: 0.2891248448174025
Energy: 0.28611722372651355
Energy: 0.28535600478045914
Energy: 0.29016079332390704
Energy: 0.3035382261817315
Energy: 0.281222229144927
Energy: 0.28287242956350306
Energy: 0.27716543806180916
Energy: 0.2828245373724915
Energy: 0.2795674185916375
Energy: 0.295081206909989
Energy: 0.2837123107391066
Energy: 0.28420124491522464
Energy: 0.294041238435033
Energy: 0.28316392014046926
Energy: 0.28555545389716264
Energy: 0.30474659990796954
Energy: 0.27812469968028974
Energy: 0.2836792230196995
Energy: 0.30696602627416636
Energy: 0.27587507785358956
Energy: 0.3083569123836099
Energy: 0.32698033009954025
Energy: 0.2968835098269325
Energy: 0.3020682555906606
Energy: 0.27693952454341925
Energy: 0.2873391275986641
Energy: 0.2914891593015768
Energy: 0.32504690856455265
Energy: 0.296014378772189
Energy: 0.2938692970315365
Energy: 0.29561545935174893
Energy: 0.297907102722403
Energy: 0.29165061878628595
Energy: 0.3393175862384374
Energy: 0.2688045410148605
Energy: 0.2798940235176943
Energy: 0.34485991893818685
Energy: 0.2666628011251652
Energy: 0.29096967697267995
Energy: 0.32495544389429293
Energy: 0.269199735137929
Energy: 0.299857075938936
Energy: 0.297665163655191
Energy: 0.2671186759400264
Energy: 0.2909761928597596
Energy: 0.3152199809932003
Energy: 0.3063194711777927
Energy: 0.31433952248181063
Energy: 0.31520480731499884
Energy: 0.30434909248648323
Energy: 0.3145735006689409
Energy: 0.315488735010935
Energy: 0.2951190892594929
Energy: 0.3019869283074147
Energy: 0.2963448837866468
Energy: 0.29246215910015183
Energy: 0.29287304618495696
Energy: 0.41156456608643804
Energy: 0.3084095395984208
Energy: 0.3151428197323426
Energy: 0.2974830943559886
Energy: 0.3156755786981266
Energy: 0.3146430241837711
Energy: 0.43402919425463626
Energy: 0.2934650163527812
Energy: 0.2850165844326109
Energy: 0.268905651551929
Energy: 0.34169784267778025
Energy: 0.2893099519210894
Energy: 0.5118648262258438
Energy: 0.3050530068235314
Energy: 0.2912524518730667
Energy: 0.2859334955596273
Energy: 0.30256860865121504
Energy: 0.31494233293261076
Energy: 0.3220880429479822
Energy: 0.29806848221319976
Energy: 0.3019878903672775
Energy: 0.27536909826653677
Energy: 0.29627378639542296
Energy: 0.30563719737363465
Energy: 0.3626348408889582
Energy: 0.28618754507974137
Energy: 0.2894743810087075
Energy: 0.2801560153295556
Energy: 0.3426308735749829
Energy: 0.2923683538304363
Energy: 0.4112750371811274
Energy: 0.3194958867807446
Energy: 0.29479248662691343
Energy: 0.277241609089193
Energy: 0.3277142684027536
Energy: 0.2885209391302397
Energy: 0.41486773494113566
Energy: 0.2779060010393185
Energy: 0.2819287805950711
Energy: 0.4151012261174716
Energy: 0.2971873903692849
Energy: 0.29884053227115187
Energy: 0.2763247928340531
Energy: 0.30164024787632554
Energy: 0.2976296401535195
Energy: 0.276648152529432
Energy: 0.29739315780225783
Energy: 0.2947283448986126
Energy: 0.27999982714696525
Energy: 0.28172972275297187
Energy: 0.2836666258890703
Energy: 0.2805231132847443
Energy: 0.2790451894610653
Energy: 0.2751685231043474
Energy: 0.2838649778122103
Energy: 0.2799358170430529
Energy: 0.2825520866971112
Energy: 0.2938171768064586
Energy: 0.2778413618787624
Energy: 0.28503798904990313
Energy: 0.32285628265940947
Energy: 0.28955549550973414
Energy: 0.2887996977498908
Energy: 0.3051597346989821
Energy: 0.2887712704741651
Energy: 0.2810908647303208

minimum gb energy = 0.2666628011251652 eV
minimum distance =  2.73899626295844 Angstroms
sigma value = 41


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

Energy: 0.6550283212530675
Energy: 0.34431514818588566
Energy: 0.3407863080950265
Energy: 0.3450160603418254
Energy: 0.34406438550303525
Energy: 0.3468775831381072
Energy: 0.2969438884661392
Energy: 0.3009338627174805
Energy: 0.30226806232862835
Energy: 0.29775671837530243
Energy: 0.29714143238288343
Energy: 0.3021461607732436
Energy: 0.2979804349901225
Energy: 0.3037564527723267
Energy: 0.2934018964269999
Energy: 0.2979493219233149
Energy: 0.29721932221161
Energy: 0.294609205455169
Energy: 0.3005326346028423
Energy: 0.3032313469126942
Energy: 0.3021091150806054
Energy: 0.3012429848675955
Energy: 0.29766854235716966
Energy: 0.29430173813274363
Energy: 0.29708656012494267
Energy: 0.3086176636751535
Energy: 0.31169111914374215
Energy: 0.29732726628200035
Energy: 0.3258319323744525
Energy: 0.3033922183601226
Energy: 0.33915010935180956
Energy: 0.30430351319864174
Energy: 0.30592447159468567
Energy: 0.3099691622377546
Energy: 0.29988939809918314
Energy: 0.33144536147309117
Energy: 0.3389541301178248
Energy: 0.3020589304511505
Energy: 0.30335471001622505
Energy: 0.29864562611607676
Energy: 0.3091951983842057
Energy: 0.3016815777660319
Energy: 0.31381473360173434
Energy: 0.31136409542379656
Energy: 0.3112800159789839
Energy: 0.3149333409757574
Energy: 0.31149100115067396
Energy: 0.2841446512889961
Energy: 0.3394516707803637
Energy: 0.2975819550391553
Energy: 0.30238369695028805
Energy: 0.32840487214277425
Energy: 0.32502626481704766
Energy: 0.3023454636314441
Energy: 0.33905131824418727
Energy: 0.31060973866032043
Energy: 0.31353115594910663
Energy: 0.2982849131609253
Energy: 0.29849282648639913
Energy: 0.30600825082910427
Energy: 0.339301615669576
Energy: 0.3121855428501775
Energy: 0.3129844830305845
Energy: 0.29999190797620584
Energy: 0.3106161430909981
Energy: 0.30344342603061614
Energy: 0.3403037469444934
Energy: 0.28053161268284443
Energy: 0.27933653735653774
Energy: 0.3299949416254598
Energy: 0.28173438531725514
Energy: 0.3053288981203856
Energy: 0.2984881123754666
Energy: 0.28065288703822056
Energy: 0.27928811750017757
Energy: 0.2983349288584117
Energy: 0.28253373211361876
Energy: 0.2808230053481256
Energy: 0.324508242515309
Energy: 0.3127118203790203
Energy: 0.30283562087728194
Energy: 0.32515491429522564
Energy: 0.3153001775251064
Energy: 0.3037287841657745
Energy: 0.3122936835694893
Energy: 0.30259181099377525
Energy: 0.3100158295135836
Energy: 0.3121892741611059
Energy: 0.30377200941412846
Energy: 0.31061856937287396
Energy: 0.29701094678553436
Energy: 0.31035476018818453
Energy: 0.3017180923521838
Energy: 0.3089561168520585
Energy: 0.2971718375917179
Energy: 0.30350911604664754
Energy: 0.3640431475569785
Energy: 0.31329133452465646
Energy: 0.3038576514677422
Energy: 0.2810306718489875
Energy: 0.2981528916591328
Energy: 0.32196244475161584
Energy: 0.31338601425492885
Energy: 0.30629076622772894
Energy: 0.3028356533165048
Energy: 0.36817013166310153
Energy: 0.29729040530914497
Energy: 0.29984987694498305
Energy: 0.29994934168089116
Energy: 0.3040793708088501
Energy: 0.2936954215523457
Energy: 0.3006742902072574
Energy: 0.3024149959287544
Energy: 0.30249602874990306
Energy: 0.2982977178251681
Energy: 0.2946026612407461
Energy: 0.2936658075331675
Energy: 0.29787343009169165
Energy: 0.2975711301864256
Energy: 0.29567036588661133
Energy: 0.29691336577717714
Energy: 0.30172199142626815
Energy: 0.30262640362721394
Energy: 0.297059515915451
Energy: 0.2978057339924889
Energy: 0.30245757475250296
Energy: 0.32326866941175075
Energy: 0.3144418833522543
Energy: 0.31163884872857156
Energy: 0.32340110968371144
Energy: 0.2941899218468724
Energy: 0.34524945533411106
Energy: 0.339564592839215
Energy: 0.3013974683219719
Energy: 0.30387804382450906
Energy: 0.2970276342943087
Energy: 0.29808442079685127
Energy: 0.3018635503580089
Energy: 0.3136099893512396
Energy: 0.3124937998043632
Energy: 0.301288789091518
Energy: 0.3145933135699809
Energy: 0.3122394136937677
Energy: 0.28409925072063724
Energy: 0.3390841389846525
Energy: 0.29865306381462897
Energy: 0.3023787335924347
Energy: 0.31118311905463425
Energy: 0.2982274439798811
Energy: 0.3020078519093308
Energy: 0.3392581770843625
Energy: 0.3102662559899374
Energy: 0.313844837648958
Energy: 0.300742312552652
Energy: 0.297892497605967
Energy: 0.30389741900795886
Energy: 0.33958192526075115
Energy: 0.3105995884210189
Energy: 0.3058639093586127
Energy: 0.3026276927285466
Energy: 0.2983908613071849
Energy: 0.30523485441172665
Energy: 0.33909734656278445
Energy: 0.2902082890842639
Energy: 0.3119319152114875
Energy: 0.31026644188522867
Energy: 0.2816402255015038
Energy: 0.3035255361064131
Energy: 0.2987305876615156
Energy: 0.2793780285708188
Energy: 0.3191438093592288
Energy: 0.2987189422916442
Energy: 0.2807692184550248
Energy: 0.31545321329352377
Energy: 0.3245291412733742
Energy: 0.3319853837559297
Energy: 0.31193148012490673
Energy: 0.3250148969622466
Energy: 0.32844756964996524
Energy: 0.3127594133966143
Energy: 0.2975466914635552
Energy: 0.30350736191718536
Energy: 0.29300292454596283
Energy: 0.29780321663723186
Energy: 0.29734875448334075
Energy: 0.2977415025846885
Energy: 0.2970297656255125
Energy: 0.29777450945141387
Energy: 0.29363829558518667
Energy: 0.3002566165720973
Energy: 0.2998491369462164
Energy: 0.295577434383131
Energy: 0.3638188936375858
Energy: 0.32820072324694805
Energy: 0.3415252076117501
Energy: 0.28268367522881294
Energy: 0.31041811599816094
Energy: 0.3061346536000032

minimum gb energy = 0.27928811750017757 eV
minimum distance =  2.71108575023613 Angstroms
sigma value = 33


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

Energy: 0.3925688526705962
Energy: 0.37978584089167416
Energy: 0.3092222561770742
Energy: 0.3896743559798131
Energy: 0.37983652130369727
Energy: 0.3095820212498015
Energy: 0.32802278504889665
Energy: 0.31308739730389373
Energy: 0.31231209069956767
Energy: 0.35647133296129235
Energy: 0.3274142763593361
Energy: 0.31188162452239715
Energy: 0.3329467791223648
Energy: 0.31289661470219965
Energy: 0.31353972674398006
Energy: 0.33337495767027236
Energy: 0.3366132613079735
Energy: 0.31313126126324015
Energy: 0.32922168289816484
Energy: 0.31140463968649335
Energy: 0.3111091934914703
Energy: 0.3297610409350219
Energy: 0.3127255552659653
Energy: 0.3115782167523179
Energy: 0.3280792696856185
Energy: 0.31227472721184263
Energy: 0.303390011390814
Energy: 0.3283831327760804
Energy: 0.32916187179143525
Energy: 0.30377345907121256
Energy: 0.35099352727138516
Energy: 0.31203900456378564
Energy: 0.3116103007220679
Energy: 0.3572214975243989
Energy: 0.33401067510244503
Energy: 0.31846558757824744
Energy: 0.3498712626103638
Energy: 0.3211778221405951
Energy: 0.31147778996180764
Energy: 0.32656734077935196
Energy: 0.3177550426707805
Energy: 0.310862625848261
Energy: 0.34919763178809754
Energy: 0.3437377366117034
Energy: 0.30652989300076533
Energy: 0.30748723268379535
Energy: 0.3426446048771344
Energy: 0.30682485329928216
Energy: 0.34936596104922474
Energy: 0.3055289826627269
Energy: 0.30258659572855695
Energy: 0.35910684533696985
Energy: 0.3031562794811226
Energy: 0.3021651952286236
Energy: 0.3825291153159295
Energy: 0.3118967996467281
Energy: 0.31422179692751273
Energy: 0.33436042479507555
Energy: 0.30256056839334866
Energy: 0.31369321871752054
Energy: 0.38257527842081446
Energy: 0.31847907513039503
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Energy: 0.3282019808840301
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Energy: 0.3107118469018488
Energy: 0.3514746088840186
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Energy: 0.3009686096625761
Energy: 0.32935703128625954
Energy: 0.3031025593091477
Energy: 0.32587332703124494
Energy: 0.3303513139887138
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Energy: 0.30092182459691236
Energy: 0.33116661734485847
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Energy: 0.30077583875811154
Energy: 0.32643093895242364
Energy: 0.31242098532896234
Energy: 0.3113391599066026
Energy: 0.32689767278938403
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Energy: 0.30767332569748007
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Energy: 0.31789737907221854
Energy: 0.3394599679590861
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Energy: 0.3181929222054583
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Energy: 0.31100352475880105
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Energy: 0.38265905019495905
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Energy: 0.32389735119300206
Energy: 0.33553271221559106
Energy: 0.3665622208314977
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Energy: 0.3513612475830294
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Energy: 0.3271164948468182
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Energy: 0.3028295735300149
Energy: 0.32811437499051677
Energy: 0.3007135207994315
Energy: 0.30255211238665647
Energy: 0.33613318337249837
Energy: 0.35919187972488587
Energy: 0.31077492227220394
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Energy: 0.3019517390528512
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Energy: 0.304816792636766
Energy: 0.358831369740197
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Energy: 0.3113873041857816
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Energy: 0.36176589941440884
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Energy: 0.31281080376373555
Energy: 0.3016333561050912
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Energy: 0.3031597468903
Energy: 0.33381006787895984
Energy: 0.3623413791361198
Energy: 0.302625870858638
Energy: 0.3020398155193039
Energy: 0.30278057413022336
Energy: 0.3023608098871644
Energy: 0.30274640553612564
Energy: 0.30107604954543
Energy: 0.3018524212687629
Energy: 0.3436275207581652
Energy: 0.31321299103281686
Energy: 0.31982039669869944
Energy: 0.3435989506958045
Energy: 0.31276463334091803
Energy: 0.3197933281065746
Energy: 0.3258792311551519
Energy: 0.32837289300548217
Energy: 0.3104984896720259
Energy: 0.318118488275107
Energy: 0.32694652592816276
Energy: 0.3115180477321153
Energy: 0.41472827248542876
Energy: 0.3315966847657521
Energy: 0.3006038596013191
Energy: 0.30541390947179825
Energy: 0.3299857649607359
Energy: 0.30003406464778803

minimum gb energy = 0.30003406464778803 eV
minimum distance =  2.72220308394906 Angstroms
sigma value = 67


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

Energy: 0.46667774102568776
Energy: 18.545897109947724
Energy: 0.31814253168532913
Energy: 0.3179307790498233
Energy: 0.34779748744721367
Energy: 0.3167325737932203
Energy: 0.34335115500721597
Energy: 0.31532261536844874
Energy: 0.3156206375185885
Energy: 0.3139103943876147
Energy: 0.34599859416610285
Energy: 0.31541176676921684
Energy: 0.3469777218094847
Energy: 0.298868519471175
Energy: 0.3133918221743271
Energy: 0.31373039581785567
Energy: 0.29841474944339713
Energy: 0.3134725219060304
Energy: 0.3463008243379097
Energy: 0.31430270785032877
Energy: 0.3140965656670609
Energy: 0.3173271002922966
Energy: 0.31312157858134415
Energy: 0.31426827893131126
Energy: 0.3445803021424815
Energy: 0.31518644961730097
Energy: 0.32270774976303085
Energy: 0.3452471584440255
Energy: 0.31503654572901685
Energy: 0.3221169138854117
Energy: 0.3439232949793939
Energy: 0.3113724382897814
Energy: 0.31960942454071944
Energy: 0.3440758410194424
Energy: 0.3114586542216999
Energy: 0.3178049398785565
Energy: 0.3847209699273994
Energy: 0.3152360764846687
Energy: 0.3158292430280119
Energy: 0.30016638125790135
Energy: 0.34583935457466813
Energy: 0.3161220667609889

minimum gb energy = 0.29841474944339713 eV
minimum distance =  2.77395508614989 Angstroms
sigma value = 3


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

Energy: 0.6055329029265831
Energy: 0.6577092073526388
Energy: 0.38343386887261505
Energy: 0.3589500769750783
Energy: 0.656551156677791
Energy: 0.382111395802641
Energy: 0.3482081242522074
Energy: 0.35919224928808224
Energy: 0.3489322962253955
Energy: 0.36462872591116596
Energy: 0.38097171595605284
Energy: 0.3489900059530866
Energy: 0.34824265060812926
Energy: 0.3491050374376591
Energy: 0.3489849558352282
Energy: 0.34843985314250187
Energy: 0.34908929331548527
Energy: 0.3490245897967339
Energy: 0.3499556419659689
Energy: 0.3484923291762591
Energy: 0.34860447718299753
Energy: 0.3504684998873343
Energy: 0.34883862019063866
Energy: 0.34829577630872066
Energy: 0.35543186783211145
Energy: 0.3484114494012704
Energy: 0.34866310471133494
Energy: 0.35608941072984235
Energy: 0.3746068612461035
Energy: 0.3487879642551343
Energy: 0.3484687792745634
Energy: 0.3478593906664088
Energy: 0.3486652964218283
Energy: 0.34882318968990084
Energy: 0.3754856342918629
Energy: 0.3489174838361278
Energy: 0.34840780212029687
Energy: 0.37387230919466596
Energy: 0.37370685758407746
Energy: 0.3679918143575237
Energy: 0.36807500588044617
Energy: 0.3738701901212062
Energy: 0.5363406012938442
Energy: 0.35694674240013385
Energy: 0.3704099916704695
Energy: 0.3490709932218282
Energy: 0.38674911020340513
Energy: 0.37055791619421785
Energy: 0.3498952338277112
Energy: 0.35200330685167164
Energy: 0.34939859450247257
Energy: 0.36975536994279834
Energy: 0.3563784660567836
Energy: 0.35758704066103025
Energy: 0.3478523140381665
Energy: 0.34629181733576536
Energy: 0.3463417115543365
Energy: 0.3527603368983331
Energy: 0.34664394298955553
Energy: 0.3491660011411384
Energy: 0.39391901541727264
Energy: 0.3567827626708698
Energy: 0.34839448648679566
Energy: 0.3943713366723299
Energy: 0.35403306120582156
Energy: 0.34954084663739676
Energy: 0.4031092930541198
Energy: 0.3499379682327299
Energy: 0.34897612466903943
Energy: 0.37604172894921617
Energy: 0.3484050762124293
Energy: 0.34898472065371006
Energy: 0.3758297255456299
Energy: 0.3485297613370559
Energy: 0.3491286890385814
Energy: 0.38828017302501244
Energy: 0.3485645240467642
Energy: 0.3492688278932901
Energy: 0.39292028445937804
Energy: 0.3516999535082746
Energy: 0.3544169441354217
Energy: 0.3588895147908767
Energy: 0.3499022173119198
Energy: 0.3482784984158166
Energy: 0.4002679561057039
Energy: 0.3502509128574119
Energy: 0.3661607416659446
Energy: 0.3483579727773145
Energy: 0.3497682381778979
Energy: 0.3487684960499965
Energy: 0.37165717948401733
Energy: 0.35185918463279153
Energy: 0.3500703651901215
Energy: 0.3786284613972308
Energy: 0.35130531181473384
Energy: 0.34874209719206917
Energy: 0.44543439180261196
Energy: 0.3487253795782478
Energy: 0.3486316459161532
Energy: 0.44611012505415143
Energy: 0.3487981971028452
Energy: 0.40499913568021123
Energy: 0.36573555937044483
Energy: 0.36005262382099157
Energy: 0.3594142048209934
Energy: 0.3541369715890738
Energy: 0.3501594551911137
Energy: 0.35933799441209996
Energy: 0.44329842102133943
Energy: 0.354732748566393
Energy: 0.3494485423350512
Energy: 0.3468921167083961
Energy: 0.35447446526479454
Energy: 0.3474363464635012
Energy: 0.4221101927789604
Energy: 0.3561432442708505
Energy: 0.3488855620069362
Energy: 0.34704591375144983
Energy: 0.3636971332473313
Energy: 0.34747997482733234
Energy: 0.36115934596551014
Energy: 0.37528019447605415
Energy: 0.3769907247482735
Energy: 0.3642172495117549
Energy: 0.3710495925526093
Energy: 0.3583165783781835
Energy: 0.3622967955665296
Energy: 0.3553864652810466
Energy: 0.35548320539084316
Energy: 0.3728907246558058
Energy: 0.3575214824331759
Energy: 0.3556404599347867
Energy: 0.3638611659396962
Energy: 0.3568578230799825
Energy: 0.35623880533348934
Energy: 0.36440932142740845
Energy: 0.376395465419811
Energy: 0.37330981054425943
Energy: 0.36809480685507995
Energy: 0.34904764014142325
Energy: 0.34870136621482545
Energy: 0.3684703799911489
Energy: 0.3493277871531015
Energy: 0.36189064727802706
Energy: 0.3509383194474979
Energy: 0.34863332881695597
Energy: 0.34870905520612133
Energy: 0.3666769029344124
Energy: 0.3550713950116783
Energy: 0.3490686262786594
Energy: 0.46791390788626996
Energy: 0.3775144934496373
Energy: 0.3707032849429373
Energy: 0.34864890756540734
Energy: 0.391267660154945
Energy: 0.34847409580496663
Energy: 0.34708948848147153
Energy: 0.38929445327877354
Energy: 0.3608440825539193
Energy: 0.3584186874772654
Energy: 0.3932554647970573
Energy: 0.3484865429878138
Energy: 0.35239155284636253
Energy: 0.34839779527716197
Energy: 0.3484223885469198
Energy: 0.37806403002226313
Energy: 0.3595134762479814
Energy: 0.3490159022721934
Energy: 0.3583516094083762
Energy: 0.3491841526902396
Energy: 0.34958714931656937
Energy: 0.3485902039936393
Energy: 0.34974266820441313
Energy: 0.3493067508030312
Energy: 0.34980812506226944
Energy: 0.3480033933192536
Energy: 0.34814520742078375
Energy: 0.3500152732430663
Energy: 0.37119483252036145
Energy: 0.3556804885635519
Energy: 0.34930970627235847
Energy: 0.3492623430528148
Energy: 0.34925192439171804
Energy: 0.34961930285720205
Energy: 0.35072118048989886
Energy: 0.34990927037137937
Energy: 0.35382840203490296
Energy: 0.37669587220266304
Energy: 0.37685053751093356
Energy: 0.35799073666409176
Energy: 0.3738372867469237
Energy: 0.3487219097628438
Energy: 0.44571929813978745
Energy: 0.39965001306851755
Energy: 0.3710449666248765
Energy: 0.34879678765076083
Energy: 0.40084891653976795
Energy: 0.34844069886299667
Energy: 0.38052294138116827
Energy: 0.3502819692025201
Energy: 0.3493206073040489
Energy: 0.35727727700859707
Energy: 0.3550398774974764
Energy: 0.34960467104756954
Energy: 0.3482746906032445
Energy: 0.3485066720963413
Energy: 0.3486655474603084
Energy: 0.3579830216153058
Energy: 0.3485841801929028
Energy: 0.3490923381799245
Energy: 0.3989211282073415
Energy: 0.3463352928848048
Energy: 0.3463876715369161
Energy: 0.3995276361791991
Energy: 0.34675678951488503
Energy: 0.3488346522851069
Energy: 0.39475021177319736
Energy: 0.3520742331469906
Energy: 0.3488953167013885
Energy: 0.39463584274636443
Energy: 0.3569726936809815
Energy: 0.37538291668682494
Energy: 0.37625671749932893
Energy: 0.34986806739127235
Energy: 0.3500281970239198
Energy: 0.45123311714760156
Energy: 0.3497606702634416
Energy: 0.34944596011361245
Energy: 0.3959301931576723
Energy: 0.35261140993010726
Energy: 0.35550307067820036
Energy: 0.3786697442643794
Energy: 0.3511195563560018
Energy: 0.348545456599115
Energy: 0.399083284526218
Energy: 0.34873166708362124
Energy: 0.348848583153543
Energy: 0.3479518120368698
Energy: 0.35726202814527125
Energy: 0.3490463811467727
Energy: 0.3725810693761131
Energy: 0.35266988912216757
Energy: 0.35502130512765406
Energy: 0.35801257508834794
Energy: 0.37693217586946226
Energy: 0.34929121164149585
Energy: 0.387180205249907
Energy: 0.3606881924174917
Energy: 0.3790119503557806
Energy: 0.38735729004541414
Energy: 0.34839471493216445
Energy: 0.36039742094483773
Energy: 0.4211098670614289
Energy: 0.3486685451373208
Energy: 0.34823576993733873
Energy: 0.42616095508514
Energy: 0.34850173461623585
Energy: 0.38819686936314246
Energy: 0.3641908053303195
Energy: 0.3523454248075579
Energy: 0.34991123254444156
Energy: 0.3549052500340015
Energy: 0.35060835838755106
Energy: 0.34893350310269167
Energy: 0.5273356781568951
Energy: 0.36215355869585175
Energy: 0.38353607502074294
Energy: 0.36821676660212804
Energy: 0.3704296095916241
Energy: 0.38306781193240674
Energy: 0.3646934353241193
Energy: 0.36902084425642523
Energy: 0.3709500991736474
Energy: 0.374446769548341
Energy: 0.36412068267213166
Energy: 0.3747651319156245
Energy: 0.3615637933867257
Energy: 0.35601994187348107
Energy: 0.3553402185714348
Energy: 0.3579133995105
Energy: 0.3727354086260113
Energy: 0.3554411475388472
Energy: 0.37213196972527074
Energy: 0.3598620575716439
Energy: 0.3592755334318724
Energy: 0.3610364849674252
Energy: 0.36696814581201886
Energy: 0.35930672155320076
Energy: 0.36174413992573434
Energy: 0.34845089545748564
Energy: 0.3487997720110898
Energy: 0.36246278390275644
Energy: 0.34841479426421745
Energy: 0.3486520229619165
Energy: 0.3478505462365321
Energy: 0.34878587054233784
Energy: 0.3487141853099845
Energy: 0.3479651861589834
Energy: 0.3489918635944077
Energy: 0.3492325212198739
Energy: 0.34854248559531115
Energy: 0.3541680341508692
Energy: 0.35796474211407836
Energy: 0.37707490971984725
Energy: 0.3543350083994867
Energy: 0.37415528528886455

minimum gb energy = 0.34629181733576536 eV
minimum distance =  2.71680616702236 Angstroms
sigma value = 81


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

Energy: 0.7685477371340999
Energy: 0.35656121164380994
Energy: 0.35733832789664227
Energy: 0.35706211109346486
Energy: 0.3745778677699144
Energy: 0.406968283727191
Energy: 0.41840143066738267
Energy: 0.338032200419528
Energy: 0.3505766079584857
Energy: 0.358516986153453
Energy: 0.3403699579670456
Energy: 0.3428474672193902
Energy: 0.3881894143052394
Energy: 0.3820716921793025
Energy: 0.38119180742188224
Energy: 0.3517793487708975
Energy: 0.38209527896874207
Energy: 0.36209913830980445
Energy: 0.38602085564173366
Energy: 0.38260448018632426
Energy: 0.39845863505036283
Energy: 0.39539127784842437
Energy: 0.3820727537654399
Energy: 0.35127345492477885
Energy: 0.3876440801678261
Energy: 0.32761348355133235
Energy: 0.427308030871007
Energy: 0.42766318827655514
Energy: 0.4285190897224809
Energy: 0.35943062147723676
Energy: 0.3560925178648916
Energy: 0.4238232229868096
Energy: 0.4245548865951543
Energy: 0.42856626714414137
Energy: 0.4275001296222976
Energy: 0.43149756419942376
Energy: 0.3801366809044838
Energy: 0.41693528042321754
Energy: 0.393172723518493
Energy: 0.37510532318229933
Energy: 0.36309225546902235
Energy: 0.42243053437732886
Energy: 0.5393835820948808
Energy: 0.4699103175754099
Energy: 0.46998420380474665
Energy: 0.37038717820912637
Energy: 0.45582299889250766
Energy: 0.3842542449827379
Energy: 0.3759162310156703
Energy: 0.3979136009080983
Energy: 0.39436661265237966
Energy: 0.37906871440525075
Energy: 0.37368390590839135
Energy: 0.3788416702505892
Energy: 0.3898838672930013
Energy: 0.38196727864442265
Energy: 0.3817633042536955
Energy: 0.391474818819499
Energy: 0.35452061650460004
Energy: 0.3543314488315712
Energy: 0.38510531879968096
Energy: 0.37574843713212897
Energy: 0.3847401739135797
Energy: 0.38526513902019094
Energy: 0.3469388662303013
Energy: 0.37885441642620443
Energy: 0.4005267465646492
Energy: 0.3724631383231515
Energy: 0.37250991086917745
Energy: 0.3820655217167407
Energy: 0.3794805673193773
Energy: 0.3725322092610367
Energy: 0.4047834619737773
Energy: 0.3690598199140198
Energy: 0.36932150187792645
Energy: 0.38223816066808414
Energy: 0.4037438496261044
Energy: 0.380195335582569
Energy: 0.3924204883160335
Energy: 0.3711888744281649
Energy: 0.3704617168091559
Energy: 0.395493665213098
Energy: 0.404065982860615
Energy: 0.40360657920802945
Energy: 0.4725366263128527
Energy: 0.4247176741093904
Energy: 0.4303440307453396
Energy: 0.4283097682099487
Energy: 0.4292417576798612
Energy: 0.4245047601451432
Energy: 0.39906103204118487
Energy: 0.4301092873153319
Energy: 0.42698061807407545
Energy: 0.39949403235328207
Energy: 0.41639758197190085
Energy: 0.4304224061751882
Energy: 0.46616174133553456
Energy: 0.3702531143720539
Energy: 0.37050920461214104
Energy: 0.4665281514511748
Energy: 0.3702686378867439
Energy: 0.3840897965474723
Energy: 0.35606664338653293
Energy: 0.4353255921554942
Energy: 0.4279938668961403
Energy: 0.41841373323798137
Energy: 0.38883139852834486
Energy: 0.4290060351042364
Energy: 0.3632585580570596
Energy: 0.43382910183844675
Energy: 0.3834713536351077
Energy: 0.3848151889358056
Energy: 0.43279456878842737
Energy: 0.3812011116475384
Energy: 0.3633963304510571
Energy: 0.37569230291092715
Energy: 0.3830559101568145
Energy: 0.3757480488295874
Energy: 0.4349011636026925
Energy: 0.381606215736945
Energy: 0.3559437407159017
Energy: 0.38390043431452214
Energy: 0.4277849374290171
Energy: 0.42267778830594327
Energy: 0.42720958551230714
Energy: 0.4285911187355684
Energy: 0.3953743786416541
Energy: 0.3701264147708863
Energy: 0.3692924565110285
Energy: 0.39479867795719104
Energy: 0.3827013003395951
Energy: 0.36999357642674824
Energy: 0.3955099817386585
Energy: 0.4216174193284966
Energy: 0.4192555176300757
Energy: 0.39596058766791786
Energy: 0.41480720654127795
Energy: 0.428438646983896
Energy: 0.39109190476836
Energy: 0.42554649114168136
Energy: 0.42588446569022403
Energy: 0.4291739274539492
Energy: 0.4365143554793776
Energy: 0.4287955288779221
Energy: 0.39157742710003296
Energy: 0.41429764373963207
Energy: 0.41490899666355197
Energy: 0.3997738272393829
Energy: 0.37350557958224845
Energy: 0.38191587912764624
Energy: 0.47906229070490747
Energy: 0.4460633136521193
Energy: 0.4145953081859746
Energy: 0.37005870134586805
Energy: 0.4393186623692094
Energy: 0.38077115480107326
Energy: 0.41507309777108525
Energy: 0.3725370523119171
Energy: 0.38409358343338496
Energy: 0.3709306651947599
Energy: 0.4206126852677762
Energy: 0.38494407652262425
Energy: 0.385471822607353
Energy: 0.3644823192985148
Energy: 0.3783247619598003
Energy: 0.38544110478436794
Energy: 0.38567538119919076
Energy: 0.38219231448006297
Energy: 0.39676879058300785
Energy: 0.3544298126497596
Energy: 0.3545458200537961
Energy: 0.38318909299798165
Energy: 0.38147809140722955
Energy: 0.3818934126303827
Energy: 0.3759913403251109
Energy: 0.373778070291201
Energy: 0.38451417311291947
Energy: 0.383137390799554
Energy: 0.3739892423604778
Energy: 0.3787949074741461
Energy: 0.4044587211255664
Energy: 0.41807128684777595
Energy: 0.39073185083512063
Energy: 0.38283536686362624
Energy: 0.45666881852152325
Energy: 0.3805237351631025
Energy: 0.38241313831741663
Energy: 0.3582040742498049
Energy: 0.3924748615580568
Energy: 0.37838549443626407
Energy: 0.36061618204145635
Energy: 0.37831363034576676
Energy: 0.4288522172640866
Energy: 0.4280802833635013
Energy: 0.4293573642986465
Energy: 0.4226651801219679
Energy: 0.4228815367706371
Energy: 0.42228283272462774
Energy: 0.3887991365530923
Energy: 0.4260051007811923
Energy: 0.43476972405027436
Energy: 0.40284196992885074
Energy: 0.4342031379002556
Energy: 0.3664632562687157
Energy: 0.39020537823770224
Energy: 0.3297146400430625
Energy: 0.4358513987970335
Energy: 0.3947358871733826
Energy: 0.36988909229866157
Energy: 0.36330182336797723
Energy: 0.5007186671203119
Energy: 0.37030091190861675
Energy: 0.37016649151994363
Energy: 0.43255580544911965
Energy: 0.37027389387944687
Energy: 0.4610072398298433
Energy: 0.3849280722612767
Energy: 0.33782337458891804
Energy: 0.3507872811834261
Energy: 0.35849003540165264
Energy: 0.33708836032317635
Energy: 0.3648757515449837
Energy: 0.4523026078167485
Energy: 0.3725079629545385
Energy: 0.35744081113258896
Energy: 0.33769710577639117
Energy: 0.372156310759975
Energy: 0.4097055989075974

minimum gb energy = 0.32761348355133235 eV
minimum distance =  2.67275962162339 Angstroms
sigma value = 43


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

Energy: 0.4941730496829793
Energy: 0.4443369731981106
Energy: 0.398194307881033
Energy: 0.3595374718658635
Energy: 0.44871561346479494
Energy: 0.35916162706910765
Energy: 0.3488637294135716
Energy: 0.36561098463825564
Energy: 0.36974216017019196
Energy: 0.3723581824114591
Energy: 0.3495408983048022
Energy: 0.3476981878538089
Energy: 0.34951807564115345
Energy: 0.3415458512636554
Energy: 0.3417812494709202
Energy: 0.36519031880469516
Energy: 0.3415084206654785
Energy: 0.3480375597351196
Energy: 0.3479257185228282
Energy: 0.34165121988786396
Energy: 0.3476296431112026
Energy: 0.3482820119100581
Energy: 0.35957167711316534
Energy: 0.3476591887478484
Energy: 0.34777953527430083
Energy: 0.34863068437527917
Energy: 0.3663100000092975
Energy: 0.3479419008952214
Energy: 0.36369359608887647
Energy: 0.3570029855644391
Energy: 0.3482049283050748
Energy: 0.34882182949739976
Energy: 0.37855544040673006
Energy: 0.3490625006871482
Energy: 0.3479142311452817
Energy: 0.36717633286571333
Energy: 0.3477348893363638
Energy: 0.34767025554753245
Energy: 0.34779371764889344
Energy: 0.3479971492728079
Energy: 0.347632094610671
Energy: 0.3476428466519892
Energy: 0.36479684185378
Energy: 0.34956481987792615
Energy: 0.34924109341112297
Energy: 0.344346883614275
Energy: 0.3495056599686772
Energy: 0.3486675270581589
Energy: 0.34838243194734436
Energy: 0.34802496569591146
Energy: 0.34821486162558757
Energy: 0.3484825333457884
Energy: 0.34785928919906944
Energy: 0.3478842235093658
Energy: 0.46755810961813293
Energy: 0.34777213397393414
Energy: 0.34780852361698134
Energy: 0.43747153087048046
Energy: 0.3484459186828127
Energy: 0.34778108718167894
Energy: 0.3438430974386606
Energy: 0.34416281982966557
Energy: 0.36186545466375575
Energy: 0.3485483596957116
Energy: 0.3650561765366169
Energy: 0.368634847760531
Energy: 0.35585856990292325
Energy: 0.3486166078813463
Energy: 0.34784713197753503
Energy: 0.3415920057441327
Energy: 0.34821798420227335
Energy: 0.34795722560983355
Energy: 0.35505685145881577
Energy: 0.34874080484093867
Energy: 0.3525765681490438
Energy: 0.3415758268804735
Energy: 0.3483089280409778
Energy: 0.3525673513067021
Energy: 0.3449360569001321
Energy: 0.3479380240037049
Energy: 0.3668100341754135
Energy: 0.3488183557564772
Energy: 0.3480489024037074
Energy: 0.3691528894273149
Energy: 0.3446677847799106
Energy: 0.34421927615727504
Energy: 0.34456690904667897
Energy: 0.344830599070322
Energy: 0.36285714908116057
Energy: 0.34410140993888483
Energy: 0.3453093997149227
Energy: 0.3627042777307449
Energy: 0.3436400039740128
Energy: 0.346151484042508
Energy: 0.34805265337305225
Energy: 0.3439068967492153
Energy: 0.34516717728433105
Energy: 0.3453114897606989
Energy: 0.34550806233202236
Energy: 0.3452317580467718
Energy: 0.3534454410733003
Energy: 0.34527522314520226
Energy: 0.3453255415839758
Energy: 0.36044778123832616
Energy: 0.3443621715513941
Energy: 0.3556066800401201
Energy: 0.34417306894967825
Energy: 0.3438309736306471
Energy: 0.34914843305164656
Energy: 0.3451427575912673
Energy: 0.34450892363048163
Energy: 0.36540883136296454
Energy: 0.3446561920973702
Energy: 0.34747490811787446
Energy: 0.3489206163091879
Energy: 0.34539327280306137
Energy: 0.3449185454904935
Energy: 0.3482996784451405
Energy: 0.34514999101623983
Energy: 0.3474919355973189
Energy: 0.34627012802196167
Energy: 0.3443625717673189
Energy: 0.36102019202712615
Energy: 0.35442008652739176
Energy: 0.35454357044577656
Energy: 0.34448264067451334
Energy: 0.41975422800372497
Energy: 0.3530320753523158
Energy: 0.3531732566600795
Energy: 0.420303741837471
Energy: 0.34183570085602255
Energy: 0.3906747438196985
Energy: 0.36454470651912696
Energy: 0.344140682860181
Energy: 0.3446144880675839
Energy: 0.35477609926386605
Energy: 0.34456227323494415
Energy: 0.36068560385377646
Energy: 0.37650885433640746
Energy: 0.348301138214269
Energy: 0.3452155534947791
Energy: 0.34522585242197246
Energy: 0.3446136712221008
Energy: 0.34542654415218266
Energy: 0.36516912159088155
Energy: 0.3444771257956009
Energy: 0.34407222865363446
Energy: 0.3675950669329253
Energy: 0.344467759346727
Energy: 0.34413795217024673
Energy: 0.3712567485952769
Energy: 0.3448738809229201
Energy: 0.3444270031697012
Energy: 0.3676132531810135
Energy: 0.3445954526488791
Energy: 0.353922670512055
Energy: 0.37124880971042273
Energy: 0.34402739662229725
Energy: 0.34442189382416305
Energy: 0.34769183552626554
Energy: 0.34380081507357213
Energy: 0.353555565270531
Energy: 0.37531501270582623
Energy: 0.37030631250840196
Energy: 0.34820259326092273
Energy: 0.3483855318149773
Energy: 0.34772904720685693
Energy: 0.34773036696515947
Energy: 0.3616738511304553
Energy: 0.3477782812486684
Energy: 0.3478469706654289
Energy: 0.36158663730678037
Energy: 0.34358045081705274
Energy: 0.34798618330628434
Energy: 0.3482698348397678
Energy: 0.3562095021792474
Energy: 0.3685542266349522
Energy: 0.3754037472909373
Energy: 0.34848826923109927
Energy: 0.3480244506539995
Energy: 0.34329024756582976
Energy: 0.3667801471560883
Energy: 0.371748543155431
Energy: 0.3532869848946088
Energy: 0.3436026056758716
Energy: 0.3420449690220439

minimum gb energy = 0.3415084206654785 eV
minimum distance =  2.75279566999939 Angstroms
sigma value = 57


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

Energy: 0.5035014970463334
Energy: 0.3772618115146273
Energy: 0.36534226187739666
Energy: 0.35036392211059303
Energy: 0.3772625026959443
Energy: 0.3653598024248546
Energy: 0.35078209495902035
Energy: 0.3572712559756315
Energy: 0.3508758346200965
Energy: 0.3583329241200008
Energy: 0.35681938018198134
Energy: 0.3448998819317808
Energy: 0.36226697950524656
Energy: 0.3307147151668441
Energy: 0.33047256520601676
Energy: 0.3574370029459398
Energy: 0.3304894228151131
Energy: 0.3311436089794225
Energy: 0.3505212105897642
Energy: 0.33008078401352015
Energy: 0.3303444145700823
Energy: 0.3512530344356481
Energy: 0.36733999836047854
Energy: 0.3501275343722364
Energy: 0.35114060118428136
Energy: 0.3438698964638324
Energy: 0.3441245578049938
Energy: 0.3515749411158269
Energy: 0.3437818225995765
Energy: 0.34414120357402717
Energy: 0.3450568708248449
Energy: 0.34631470727711605
Energy: 0.3472070809427269
Energy: 0.35054629288085637
Energy: 0.3505111396075971
Energy: 0.344445134124611
Energy: 0.35114269323426894
Energy: 0.3513819043883419
Energy: 0.3502501963079554
Energy: 0.35786994575786957
Energy: 0.35262852110279796
Energy: 0.35016332229098374
Energy: 0.34968889829061306
Energy: 0.3483692699648822
Energy: 0.3498447725313601
Energy: 0.34500059040157127
Energy: 0.3501454012606758
Energy: 0.3509606724915153
Energy: 0.3579068178599369
Energy: 0.35048544959609435
Energy: 0.3505967935907259
Energy: 0.3585777162337731
Energy: 0.35724851289530807
Energy: 0.351029731952109
Energy: 0.37647193888753533
Energy: 0.34891320342888654
Energy: 0.3502053531261144
Energy: 0.3764613130196209
Energy: 0.34979397555330727
Energy: 0.34920132274043847
Energy: 0.3563348677729064
Energy: 0.34479861033634535
Energy: 0.3509043456613625
Energy: 0.3569474999181245
Energy: 0.3499345980296192
Energy: 0.3500803401695843
Energy: 0.3303939609494392
Energy: 0.35685185603858816
Energy: 0.3518803749573327
Energy: 0.33159630807804014
Energy: 0.3574427514702747
Energy: 0.36402601426631803
Energy: 0.3328661253197054
Energy: 0.35080551882479677
Energy: 0.36331255273820706
Energy: 0.3435960129718017
Energy: 0.3582185524400516
Energy: 0.3633744984764303
Energy: 0.3516457413331815
Energy: 0.3585250431090318
Energy: 0.3437695176564973
Energy: 0.35660029181835107
Energy: 0.3575251223837586
Energy: 0.34999621398112946
Energy: 0.3547352650497935
Energy: 0.3314723270073638
Energy: 0.33255008713309864
Energy: 0.35474800787262184
Energy: 0.3397841929233265
Energy: 0.4184318063287424
Energy: 0.3516740220830527
Energy: 0.3471556688739358
Energy: 0.3494575764535513
Energy: 0.35247189970008624
Energy: 0.3443434826602279
Energy: 0.36172927710295927
Energy: 0.35047932435449736
Energy: 0.3448236598809374
Energy: 0.3454473607885393
Energy: 0.35069716771555814
Energy: 0.3444652117979397
Energy: 0.3436432395693788
Energy: 0.3508846873292765
Energy: 0.3504441443601556
Energy: 0.3443098916384661
Energy: 0.3502156626872558
Energy: 0.3515722658110092
Energy: 0.3436839803157933
Energy: 0.3570407225574484
Energy: 0.3512344824223283
Energy: 0.35024911953217575
Energy: 0.3586178307035971
Energy: 0.3504351495280748
Energy: 0.3497205418438262
Energy: 0.3568719473508133
Energy: 0.3513275570532954
Energy: 0.3510828731503643
Energy: 0.3572401408460158
Energy: 0.35071913480537886
Energy: 0.34999510168688186
Energy: 0.3562755136478043
Energy: 0.3515173006406475
Energy: 0.3528874010150107
Energy: 0.35668835442740915
Energy: 0.357912262993628
Energy: 0.35015203501322245
Energy: 0.37942047180110905
Energy: 0.34964519475966865
Energy: 0.35021142097537306
Energy: 0.3787881488221402
Energy: 0.34963842114480226
Energy: 0.35073761993352115
Energy: 0.35180821585363176
Energy: 0.3580868636960192
Energy: 0.35202405918430313
Energy: 0.35724930397900034
Energy: 0.35796266320447867
Energy: 0.35131665664193307
Energy: 0.3329942407186497
Energy: 0.351179795259571
Energy: 0.36340705785717375
Energy: 0.3437001696119961
Energy: 0.3635472983876354
Energy: 0.3633624618688174

minimum gb energy = 0.33008078401352015 eV
minimum distance =  2.73200831790038 Angstroms
sigma value = 17


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

Energy: 0.32003204094960697
Energy: 0.36874864830235626
Energy: 0.3991927701776386
Energy: 0.3539648266474493
Energy: 0.36829950893583896
Energy: 0.35347814457412624
Energy: 0.4298684947496552
Energy: 0.37701039510045486
Energy: 0.37694850276110564
Energy: 0.3903262948309987
Energy: 0.3778337300811766
Energy: 0.35126220414761034
Energy: 0.4755767606007257
Energy: 0.3365961774126372
Energy: 0.33660873106381384
Energy: 0.3786973340963131
Energy: 0.3367857624439819
Energy: 0.33699714215651616
Energy: 0.37916892789662204
Energy: 0.33654315995562106
Energy: 0.3366204319695972
Energy: 0.3799453560777514
Energy: 0.31536160896031373
Energy: 0.373373391390396
Energy: 0.3323040779875298
Energy: 0.3488244234532242
Energy: 0.34616994198182993
Energy: 0.3314866024003166
Energy: 0.32704897532899657
Energy: 0.34681619254231033
Energy: 0.3495937690960087
Energy: 0.32671096129590327
Energy: 0.34654936795768115
Energy: 0.34935645777579466
Energy: 0.3268351290864195
Energy: 0.34940165581747523
Energy: 0.3316386045831817
Energy: 0.32601737371540496
Energy: 0.3262498153769809
Energy: 0.3276360086686848
Energy: 0.32855949493422243
Energy: 0.33953708701778734
Energy: 0.3441289964916969
Energy: 0.3523870409106041
Energy: 0.35253092548201515
Energy: 0.3404388560173254
Energy: 0.3513343042475234
Energy: 0.360234159813729
Energy: 0.32750870775751706
Energy: 0.35138270976509095
Energy: 0.3508797532506952
Energy: 0.32838809075111963
Energy: 0.34638263890113924
Energy: 0.3268325868746515
Energy: 0.32645232049569284
Energy: 0.3466965834078271
Energy: 0.3465196070784389
Energy: 0.32660252863505923
Energy: 0.34640890422642645
Energy: 0.34675464618629687
Energy: 0.3346858769015894
Energy: 0.35251590938425326
Energy: 0.3468567150697865
Energy: 0.32714682426015645
Energy: 0.33149373497045387
Energy: 0.3467854350563099
Energy: 0.3273059996523465
Energy: 0.3771247237892389
Energy: 0.37702314890240246
Energy: 0.33175296354250455
Energy: 0.379515460926665
Energy: 0.37807308527270084
Energy: 0.33152836942044445
Energy: 0.37339545300618704
Energy: 0.37322569028140107
Energy: 0.3512726191994622
Energy: 0.37381277680539066
Energy: 0.3733248276544585
Energy: 0.3841692697318885
Energy: 0.37751985354457557
Energy: 0.3773629573061871
Energy: 0.38386093190172227
Energy: 0.37757467178882037
Energy: 0.35110057323659255
Energy: 0.4233091549853392
Energy: 0.3776059603445995
Energy: 0.37990319049656446
Energy: 0.3689203109089848
Energy: 0.37803376937606936
Energy: 0.3738260107871951
Energy: 0.42913445818534784
Energy: 0.3907365909176556
Energy: 0.3521624078170198
Energy: 0.38378360439616516
Energy: 0.3826928175026408
Energy: 0.3769330100264976
Energy: 0.3157131285412852
Energy: 0.3742469035427615
Energy: 0.4182370561879862
Energy: 0.3176033982884778
Energy: 0.37887137116821085
Energy: 0.4181276000187782

minimum gb energy = 0.31536160896031373 eV
minimum distance =  2.7045367219275 Angstroms
sigma value = 17


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

Energy: 0.3086107671880846
Energy: 0.5405567968074428
Energy: 0.3626860021060304
Energy: 0.34550377741882476
Energy: 0.5410335453836609
Energy: 0.3704522056838139
Energy: 0.41978923620166575
Energy: 0.38663194906611276
Energy: 0.34509618697780087
Energy: 0.3876070105787829
Energy: 0.3848788590666662
Energy: 0.3576466406513862
Energy: 0.46660425209325296
Energy: 0.33469261251016835
Energy: 0.3449871938400314
Energy: 0.3877494241621787
Energy: 0.3357111329757995
Energy: 0.34465850358866973
Energy: 0.38543701797796304
Energy: 0.34437224618700224
Energy: 0.3446565147081227
Energy: 0.38620937678020506
Energy: 0.3088685591147414
Energy: 0.3445208443757771
Energy: 0.3317130126719617
Energy: 0.3291032983437853
Energy: 0.3434568470983716
Energy: 0.3320421351098015
Energy: 0.32747021094800405
Energy: 0.3424459742927399
Energy: 0.2940351276036259
Energy: 0.32583817935469295
Energy: 0.3063791372085856
Energy: 0.3356701631954439
Energy: 0.3256537281393325
Energy: 0.32347106634048234
Energy: 0.29968081561277876
Energy: 0.32994166539115716
Energy: 0.3254414451812814
Energy: 0.30901310264427484
Energy: 0.3276889780260826
Energy: 0.3272153667039585
Energy: 0.3006924823197794
Energy: 0.3234414120577762
Energy: 0.3291907850105176
Energy: 0.3211166158440511
Energy: 0.3231213839388501
Energy: 0.3304281405161919
Energy: 0.3020753601755574
Energy: 0.3177393143440268
Energy: 0.3008917244664959
Energy: 0.3014386701863183
Energy: 0.3061930868723053
Energy: 0.2998796799208738
Energy: 0.2998650056465881
Energy: 0.3257765732374408
Energy: 0.3256465603432385
Energy: 0.29989801946015315
Energy: 0.3252976380625567
Energy: 0.32540883114245517
Energy: 0.3080959530489588
Energy: 0.2996935461566035
Energy: 0.3247529404604166
Energy: 0.32477702908747214
Energy: 0.2997451590192381
Energy: 0.3249345954897989
Energy: 0.3018826448217681
Energy: 0.305022746786008
Energy: 0.299800769758839
Energy: 0.30253131262632355
Energy: 0.30270607632241825
Energy: 0.3184221668223858
Energy: 0.3004117530041154
Energy: 0.32013957494860124
Energy: 0.32009286834757916
Energy: 0.30730357136957537
Energy: 0.31888175823731785
Energy: 0.329833468792456
Energy: 0.32672985642855473
Energy: 0.3211806424473274
Energy: 0.33131671655470274
Energy: 0.32680960369046774
Energy: 0.3080437699761675
Energy: 0.3254408314654578
Energy: 0.3258337620620036
Energy: 0.3179367403792412
Energy: 0.31857376558277206
Energy: 0.32572514942263225
Energy: 0.31950375493706534
Energy: 0.3413648787298177
Energy: 0.38636086823515337
Energy: 0.34791458808538483
Energy: 0.342451129585096
Energy: 0.3267989384394105
Energy: 0.3322515009298355
Energy: 0.34192678880958616
Energy: 0.3007575105801577
Energy: 0.3899308556744759
Energy: 0.3832353468646531
Energy: 0.3016674463053021
Energy: 0.38785151901375503
Energy: 0.32544818524204866
Energy: 0.3007014369798511
Energy: 0.3834098211585214
Energy: 0.3831224877246151
Energy: 0.3014984805071743
Energy: 0.38712886001078145
Energy: 0.3419160470988988
Energy: 0.4315396469591502
Energy: 0.3837555604094715
Energy: 0.3575020900236898
Energy: 0.333692916926232
Energy: 0.3561384958331164
Energy: 0.3440537169793435
Energy: 0.4720407653867832
Energy: 0.32887287309316693
Energy: 0.32912308059690726
Energy: 0.3839428488345922
Energy: 0.3281845934816978
Energy: 0.37867078992239867
Energy: 0.42266631709139324
Energy: 0.38335895196667374
Energy: 0.3833392920334494
Energy: 0.3844558985020371
Energy: 0.3869396276220862
Energy: 0.38311276855983406
Energy: 0.3067033185635913
Energy: 0.38845227592242426
Energy: 0.42139733523747075
Energy: 0.3164398493886582
Energy: 0.38768845231850824
Energy: 0.34464993360022844
Energy: 0.30916370220580985
Energy: 0.3875943334171312
Energy: 0.38373355984910623
Energy: 0.30943460285309177
Energy: 0.38604207563306236
Energy: 0.365611296464621
Energy: 0.46438522072539484
Energy: 0.3342468022871045
Energy: 0.34212374958882114
Energy: 0.38469990167198265
Energy: 0.31150633193693267
Energy: 0.3831910283796081
Energy: 0.38351529440920695
Energy: 0.32234946001269565
Energy: 0.34495669800091777
Energy: 0.3835262507452336
Energy: 0.33584210245117474
Energy: 0.34510245537674733
Energy: 0.3327307685361395
Energy: 0.3273634666071618
Energy: 0.34458485030287045
Energy: 0.3327037263485051
Energy: 0.3286949408265844
Energy: 0.3559874874211479
Energy: 0.2936572184277017
Energy: 0.34728593097472654
Energy: 0.32907819994508836
Energy: 0.33426091968711086
Energy: 0.34330265674802596
Energy: 0.3237433563768632
Energy: 0.2976209699391199
Energy: 0.3294127641702135
Energy: 0.3257593059880999
Energy: 0.29711669154145487
Energy: 0.32732948807713713
Energy: 0.32559781193697784
Energy: 0.30232173906977516
Energy: 0.32973981788269036
Energy: 0.3298840915511807
Energy: 0.3182483466108424
Energy: 0.306208918344123
Energy: 0.3300695715844382
Energy: 0.3061731254768752
Energy: 0.32306608999931874
Energy: 0.32863787303651093
Energy: 0.30686333037223124
Energy: 0.3231091106247178
Energy: 0.3201939709068475
Energy: 0.30275584753529555
Energy: 0.32702890413384206
Energy: 0.32632545197310153
Energy: 0.30314622917812756
Energy: 0.32719761173552436
Energy: 0.31476970076544364
Energy: 0.3083728698666601
Energy: 0.32707016529924865
Energy: 0.32683789404276703
Energy: 0.31522869791756797
Energy: 0.32608466989582113
Energy: 0.32698371305433954
Energy: 0.3252863514262488
Energy: 0.3030087578693721
Energy: 0.30000374359361287
Energy: 0.32453027796727674
Energy: 0.3009822231614576
Energy: 0.2997453159398108
Energy: 0.2999941095804078
Energy: 0.32874950536513253
Energy: 0.3316765411213433
Energy: 0.33190425922746647
Energy: 0.30015653771013284
Energy: 0.3315196899699513
Energy: 0.329774006955707
Energy: 0.31986777920432
Energy: 0.33143352222701394
Energy: 0.3303638359998853
Energy: 0.31945274435033577
Energy: 0.3313207953536025
Energy: 0.3307338456624272
Energy: 0.3289187992697657
Energy: 0.34208056889530586
Energy: 0.33126203505133234
Energy: 0.32893905197294787
Energy: 0.32604129778773666
Energy: 0.43237173404504303
Energy: 0.34273719071889636
Energy: 0.3424745683466756
Energy: 0.3290587734647804
Energy: 0.30310410976680957
Energy: 0.3422482267991742
Energy: 0.30405306939955823
Energy: 0.38664917149615924
Energy: 0.38431479539283125
Energy: 0.34038400019418263
Energy: 0.38481645715180324
Energy: 0.34307413902891015
Energy: 0.30048520654470307
Energy: 0.3810506477193861
Energy: 0.3294727456351118
Energy: 0.3423992462400556
Energy: 0.3844864927115944
Energy: 0.3287894864809616
Energy: 0.3256752479059136
Energy: 0.3873823943417684
Energy: 0.38317098952849366
Energy: 0.33194723780178137
Energy: 0.3855115553572094
Energy: 0.35586304928577417
Energy: 0.43567588422003073
Energy: 0.34209887649821563
Energy: 0.3798231480884872
Energy: 0.38770640576004856
Energy: 0.3428496135587194
Energy: 0.3796904489532274
Energy: 0.46495442447503404
Energy: 0.35964701008843436
Energy: 0.34377490561074225
Energy: 0.3845782948704678
Energy: 0.3390501999002669
Energy: 0.3834593406791802
Energy: 0.30908764416386375
Energy: 0.387231241350126
Energy: 0.38339756939307823
Energy: 0.30992215673439266
Energy: 0.3855664423887699
Energy: 0.38007608544345123

minimum gb energy = 0.2936572184277017 eV
minimum distance =  2.70087526430729 Angstroms
sigma value = 57


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

Energy: 0.2838891590368801
Energy: 0.5060453637085542
Energy: 0.359028879699525
Energy: 0.33245792463236357
Energy: 0.515765929964313
Energy: 0.36081595541681877
Energy: 0.4071018339170762
Energy: 0.3275127232279883
Energy: 0.33923415351369673
Energy: 0.38323188441399625
Energy: 0.37945600776419197
Energy: 0.33542311532244723
Energy: 0.44672180441555687
Energy: 0.3229668560174397
Energy: 0.32550930661390204
Energy: 0.3839390567835436
Energy: 0.31538958271801165
Energy: 0.3437660541327707
Energy: 0.37991230870235654
Energy: 0.3163256000691583
Energy: 0.3437298772160797
Energy: 0.35212005081689357
Energy: 0.28625435451060316
Energy: 0.3521839594311586
Energy: 0.3199181048566474
Energy: 0.32851098644996646
Energy: 0.33883016988041875
Energy: 0.3200792454151434
Energy: 0.3263604988373646
Energy: 0.33872203178178323
Energy: 0.27645816378529625
Energy: 0.3248530558868936
Energy: 0.3086657872871339
Energy: 0.3135928001928507
Energy: 0.3248995421945479
Energy: 0.32477183936879656
Energy: 0.2940467630845639
Energy: 0.3287724608678582
Energy: 0.3314568601448821
Energy: 0.3120643324475622
Energy: 0.32788488267393934
Energy: 0.31568838501200003
Energy: 0.3960667612170705
Energy: 0.3066076869367998
Energy: 0.31158440760988926
Energy: 0.29961343030370796
Energy: 0.3069043094791959
Energy: 0.3192429610336363
Energy: 0.296082373384057
Energy: 0.3134757119490439
Energy: 0.29412881864339685
Energy: 0.29690355083784215
Energy: 0.28095388573115543
Energy: 0.3022941635983845
Energy: 0.30227428561393727
Energy: 0.3096730193200573
Energy: 0.30946540309098325
Energy: 0.3025006585438777
Energy: 0.3101069277208185
Energy: 0.3097313527249726
Energy: 0.28296132920679307
Energy: 0.27955466047002914
Energy: 0.30901031280486446
Energy: 0.3024192632752094
Energy: 0.28781286668830536
Energy: 0.3127562092375962
Energy: 0.29646545739961666
Energy: 0.28391600218153373
Energy: 0.28706069829328373
Energy: 0.29703765169194074
Energy: 0.2842208719371227
Energy: 0.2972426119507407
Energy: 0.2859495412709426
Energy: 0.32443858494817435
Energy: 0.3075142712480244
Energy: 0.3030921117016921
Energy: 0.3269477245476678
Energy: 0.30724897164350823
Energy: 0.27999553691566115
Energy: 0.30509499392750816
Energy: 0.28015320595325544
Energy: 0.2808784338017139
Energy: 0.2865439267447046
Energy: 0.28695378092022994
Energy: 0.27949097269368767
Energy: 0.31229989936643343
Energy: 0.30517597665044904
Energy: 0.27962795423080744
Energy: 0.31513653777932815
Energy: 0.3046546604623843
Energy: 0.30270656614034286
Energy: 0.3019170030009396
Energy: 0.3080488747940488
Energy: 0.30967760044803877
Energy: 0.2997600553495444
Energy: 0.30746537258148965
Energy: 0.2806520281154186
Energy: 0.3002114730441608
Energy: 0.2939138444006838
Energy: 0.2816107346499041
Energy: 0.29872816353472476
Energy: 0.31088222964377726
Energy: 0.2815476136221702
Energy: 0.31145455833331503
Energy: 0.31258869529425704
Energy: 0.28236071927306255
Energy: 0.29826996194898386
Energy: 0.32013627156053487
Energy: 0.3248927265502698
Energy: 0.3139305977694945
Energy: 0.3207554140199787
Energy: 0.3259967002085756
Energy: 0.3009636552671188
Energy: 0.3322826149176824
Energy: 0.3744632126025553
Energy: 0.31414830232583274
Energy: 0.31388451710373827
Energy: 0.32607136045544954
Energy: 0.32074553731563926
Energy: 0.3379962052301675
Energy: 0.41881494661355884
Energy: 0.32932692901885685
Energy: 0.32535538282330545
Energy: 0.3258353112065629
Energy: 0.34332577917315626
Energy: 0.33911316733140434
Energy: 0.27988266301760706
Energy: 0.3856499073103463
Energy: 0.32447245102379385
Energy: 0.30226520482079133
Energy: 0.38452512996534927
Energy: 0.3257224709668601
Energy: 0.2976988399535754
Energy: 0.3831695808503828
Energy: 0.3854292098475258
Energy: 0.29813917574807286
Energy: 0.3814965685562352
Energy: 0.37658117604526714
Energy: 0.4154876941320068
Energy: 0.32472109961883777
Energy: 0.33466786712812907
Energy: 0.3512994930272634
Energy: 0.3026634912114267
Energy: 0.340035682673859
Energy: 0.4492249124944432
Energy: 0.33661086387342287
Energy: 0.326998313042134
Energy: 0.3731948475852099
Energy: 0.3322624603289729
Energy: 0.36550089789447604
Energy: 0.4460589056253792
Energy: 0.36696008218379983
Energy: 0.3855973821862937
Energy: 0.3812335898523624
Energy: 0.3820889768507197
Energy: 0.33697547785079823
Energy: 0.28300044659242346
Energy: 0.3647710969818514
Energy: 0.3441953507556509
Energy: 0.32423419250220115
Energy: 0.37782420545411277
Energy: 0.344055943439161

minimum gb energy = 0.27645816378529625 eV
minimum distance =  2.69354455167583 Angstroms
sigma value = 43


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

Energy: 0.24776556898637625
Energy: 0.33129278858077965
Energy: 0.3279187321944003
Energy: 0.27899166934720754
Energy: 0.3309419872936777
Energy: 0.31418274992056516
Energy: 0.36256235527025515
Energy: 0.3031463750978952
Energy: 0.3035621810513773
Energy: 0.332947930649565
Energy: 0.31956192706557746
Energy: 0.2922901262925002
Energy: 0.39233555281821664
Energy: 0.27367523073764677
Energy: 0.28888095125410734
Energy: 0.34193823460040557
Energy: 0.27770225937038234
Energy: 0.28725204714890773
Energy: 0.3385528581417475
Energy: 0.29020484573365635
Energy: 0.28634291094992864
Energy: 0.300050389935167
Energy: 0.24611015819525972
Energy: 0.3151827759168048
Energy: 0.25964162620332376
Energy: 0.29903737520496776
Energy: 0.29954011766467337
Energy: 0.2595355572717666
Energy: 0.3003361757194699
Energy: 0.2965106649962827
Energy: 0.23913447326044648
Energy: 0.2984317425075124
Energy: 0.2899118225063705
Energy: 0.2692244550187945
Energy: 0.2986519260029689
Energy: 0.27328792478851593
Energy: 0.3514157929178492
Energy: 0.29894228247162635
Energy: 0.29852766737325964
Energy: 0.277683938828748
Energy: 0.3014173164857547
Energy: 0.2787661474775661
Energy: 0.35014542991599995
Energy: 0.2633667167906577
Energy: 0.27182405884215205
Energy: 0.2720981846991235
Energy: 0.2622543977084429
Energy: 0.2721174455679834
Energy: 0.2718132417049406
Energy: 0.2663951665521489
Energy: 0.27061593541443346
Energy: 0.2726539046589562
Energy: 0.24593661300887232
Energy: 0.27060848571807766
Energy: 0.26198106988541725
Energy: 0.2666798488416055
Energy: 0.26599165498995225
Energy: 0.2620569146280582
Energy: 0.26320285913646635
Energy: 0.2659002309504777
Energy: 0.23685130199532284
Energy: 0.2526031251541056
Energy: 0.2630278563611176
Energy: 0.2720203723368808
Energy: 0.2527880957645336
Energy: 0.26219990741885724
Energy: 0.2730731002782967
Energy: 0.25264416682276747
Energy: 0.2526060758590856
Energy: 0.2669448599539896
Energy: 0.2566166768343965
Energy: 0.2631553774987788
Energy: 0.27147260022591946
Energy: 0.27391534209367563
Energy: 0.27830465804989724
Energy: 0.2730844029500304
Energy: 0.27297391918693276
Energy: 0.2791226486017021
Energy: 0.2426880356141867
Energy: 0.26118797970042473
Energy: 0.24241142420135273
Energy: 0.2434888803926526
Energy: 0.23943572813594866
Energy: 0.2424796599339891
Energy: 0.24262537624796635
Energy: 0.25778145899416516
Energy: 0.2574500284455038
Energy: 0.2424479333483271
Energy: 0.2580226144528388
Energy: 0.2575674161027077
Energy: 0.23867270811134447
Energy: 0.2377929277803222
Energy: 0.2384727604426525
Energy: 0.25294807330070623
Energy: 0.23789805347292808
Energy: 0.2582739973104214
Energy: 0.24413758927902715
Energy: 0.2378171053058527
Energy: 0.23776160805248087
Energy: 0.2451530246087625
Energy: 0.23784779784646912
Energy: 0.25927934831119803
Energy: 0.23810517960266347
Energy: 0.2593983709236181
Energy: 0.2595336257662077
Energy: 0.23806600098173555
Energy: 0.2649558963070035
Energy: 0.2591499042707889
Energy: 0.23799195904791165
Energy: 0.25354407663557404
Energy: 0.2378310585507078
Energy: 0.2388468126387642
Energy: 0.27749716840665234
Energy: 0.23789296844383526
Energy: 0.23802845343280496
Energy: 0.26310902578352435
Energy: 0.26308808624709523
Energy: 0.23819408435926084
Energy: 0.27265706722501154
Energy: 0.2627791118328953
Energy: 0.25420093941613314
Energy: 0.24232977513896095
Energy: 0.2424778056203915
Energy: 0.25857003856757377
Energy: 0.24243463950960054
Energy: 0.26267382527269484
Energy: 0.2400415045772747
Energy: 0.242461339790327
Energy: 0.24276430141442384
Energy: 0.2402708317204463
Energy: 0.24255928760007758
Energy: 0.2604037205361926
Energy: 0.25329957049003565
Energy: 0.2604368439563348
Energy: 0.2600865053411639
Energy: 0.25263248572896174
Energy: 0.2552085625317615
Energy: 0.26019148805428
Energy: 0.25295962912475795
Energy: 0.2675995602645369
Energy: 0.25258593167173293
Energy: 0.2536800881292311
Energy: 0.24328109248540802
Energy: 0.25272084843725123
Energy: 0.3379362920872018
Energy: 0.2704961080370227
Energy: 0.2661397166148008
Energy: 0.2723481565900438
Energy: 0.2747180358542124
Energy: 0.28713844651565673
Energy: 0.3140705185468977
Energy: 0.2706659437592038
Energy: 0.2705885983853744
Energy: 0.2659416556429095
Energy: 0.27449798813616183
Energy: 0.26593244120111204
Energy: 0.23819355972523157
Energy: 0.27072598563588635
Energy: 0.2711152763138032
Energy: 0.27432901712729996
Energy: 0.27082441854424316
Energy: 0.26760154858514756
Energy: 0.2539423593170537
Energy: 0.2778239971906017
Energy: 0.27973741109053796
Energy: 0.25338446820364197
Energy: 0.2723302131073622
Energy: 0.27865803076113727
Energy: 0.3000442801394053
Energy: 0.2704921782704092
Energy: 0.29871832436528073
Energy: 0.3007335596782542
Energy: 0.2528318175343404
Energy: 0.2985939733725766
Energy: 0.3677495963877409
Energy: 0.2682906135125065
Energy: 0.28017775207258805
Energy: 0.29873173554591165
Energy: 0.2682555790785869
Energy: 0.2816421667341698
Energy: 0.3669227183970887
Energy: 0.30284664858753957
Energy: 0.3019878533809607
Energy: 0.30065296592899066
Energy: 0.2992443240443694
Energy: 0.3021680495365971
Energy: 0.24303157764799752
Energy: 0.32737043051112086
Energy: 0.30380078192045873
Energy: 0.2769132906781023
Energy: 0.33602336443479364
Energy: 0.27885003164653793
Energy: 0.2703203058812975
Energy: 0.3324661953020062
Energy: 0.3304961526641598
Energy: 0.2808888906520918
Energy: 0.34365064640828463
Energy: 0.3387975588217895
Energy: 0.36786598626413874
Energy: 0.2949688472500799
Energy: 0.2987346357221709
Energy: 0.3002370154220939
Energy: 0.253227304706993
Energy: 0.33099691375705925
Energy: 0.39289050396851033
Energy: 0.28750752173522315
Energy: 0.3036829469560717
Energy: 0.3424573261142369
Energy: 0.29859335475747184
Energy: 0.30510359917810825
Energy: 0.3776604331097479
Energy: 0.3330550495848184
Energy: 0.3308689688502375
Energy: 0.33379357017443056
Energy: 0.3436933790526467
Energy: 0.30145763614497484

minimum gb energy = 0.23685130199532284 eV
minimum distance =  2.74091249791822 Angstroms
sigma value = 81


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

Energy: 0.1341849606587033
Energy: 39.891346672870895
Energy: 0.03144872661294212
Energy: 0.03213195316538894
Energy: 0.2452064091305783
Energy: 0.13438313027668916
Energy: 39.30163238903852
Energy: 0.24601194322103817
Energy: 0.24525377983946375
Energy: 0.25776928582281083
Energy: 0.2456412363022669
Energy: 0.24842430074378488
Energy: 0.2633806406638419
Energy: 0.031060877166080737
Energy: 0.031105793928485597
Energy: 0.254405313798136
Energy: 0.031025121297132897
Energy: 0.050438046196996544
Energy: 0.24836039761633202
Energy: 0.03117161366910305
Energy: 0.03110869700430566
Energy: 0.24637751347694772
Energy: 0.03110384788818948
Energy: 0.04997501234285461
Energy: 0.04971221528741982
Energy: 0.26608930744626685
Energy: 0.26690968598038867
Energy: 0.05022597227533812
Energy: 0.26597073523004033
Energy: 0.2669629601377103
Energy: 0.03142235086011039
Energy: 34.59341639091908
Energy: 0.031139794018005606
Energy: 0.03237181970634478
Energy: 0.24822497577981778
Energy: 0.031110486979041813
Energy: 0.26533359443674454
Energy: 0.2483595187261834
Energy: 0.24492955111176645
Energy: 0.2621248134848131
Energy: 0.24822142379646697
Energy: 0.24813500248269546
Energy: 0.26480633253608993
Energy: 0.031093787101516186
Energy: 0.031230531877325628
Energy: 0.26095054290075453
Energy: 0.031000570959603135
Energy: 0.031231125855068355
Energy: 0.24887185860211924
Energy: 0.03134368889527486
Energy: 0.05096625007164477
Energy: 0.23943626860461178
Energy: 0.031209360243312063
Energy: 0.050666806866367826
Energy: 0.1343649889049571
Energy: 0.2633024598097465
Energy: 0.26116081793390566
Energy: 0.03128351605154839
Energy: 0.2627580217093599
Energy: 0.26350409410780784

minimum gb energy = 0.031000570959603135 eV
minimum distance =  2.74148787423192 Angstroms
sigma value = 3


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

Energy: 0.3057322657139962
Energy: 0.29244377698124124
Energy: 0.27849767619147153
Energy: 0.2519579765584999
Energy: 0.2920861333796382
Energy: 0.334714223085058
Energy: 0.31567857852488274
Energy: 0.30776692132257205
Energy: 0.3084259837188098
Energy: 0.30788587516133925
Energy: 0.3128920313223352
Energy: 0.2841757830817503
Energy: 0.3215411793604381
Energy: 0.2926454422314639
Energy: 0.2863190471615381
Energy: 0.30912062925374384
Energy: 0.29322111936602313
Energy: 0.26248412406335064
Energy: 0.2911688848662176
Energy: 0.30400852453027816
Energy: 0.3032733278170919
Energy: 0.29067999298143915
Energy: 0.25964582401083564
Energy: 0.28457890556468646
Energy: 0.2621048021154736
Energy: 0.30988647312183576
Energy: 0.2832692819136649
Energy: 0.262124068694937
Energy: 0.31274030454944246
Energy: 0.28367703175439524
Energy: 0.24193942066179663
Energy: 0.28274092694591907
Energy: 0.28545550647228846
Energy: 0.2437907575251961
Energy: 0.28217297129152086
Energy: 0.26135725391313386
Energy: 0.28768760280602007
Energy: 0.2650637951433594
Energy: 0.26515710792810626
Energy: 0.28769522544610676
Energy: 0.26731862252046257
Energy: 0.30065197232455804
Energy: 0.2874185839235305
Energy: 0.24304987725326183
Energy: 0.2622935567109301
Energy: 0.2872917448390686
Energy: 0.2311315361273282
Energy: 0.2618816073188646
Energy: 0.26952344008882917
Energy: 0.2966507892619608
Energy: 0.27947853194446715
Energy: 0.24540330642760189
Energy: 0.24284207104439884
Energy: 0.2795899591156331
Energy: 0.2443704769890696
Energy: 0.26444099975745505
Energy: 0.2640558361759663
Energy: 0.24438161899973102
Energy: 0.2673119108338673
Energy: 0.2787365543555666
Energy: 0.23073068111514175
Energy: 0.24556705605615625
Energy: 0.2668156573813613
Energy: 0.23142852115780183
Energy: 0.23142517741353055
Energy: 0.24435589809623323
Energy: 0.24417398683168043
Energy: 0.2990725910343047
Energy: 0.29969477090552377
Energy: 0.24414846406042157
Energy: 0.24540821643909325
Energy: 0.24396020975408242
Energy: 0.24427731027234104
Energy: 0.22295857263439875
Energy: 0.2448533215090044
Energy: 0.24434268489515232
Energy: 0.22526694170970737
Energy: 0.2447520583359193
Energy: 0.2262550330810932
Energy: 0.23085536227109896
Energy: 0.28801482394641287
Energy: 0.2589466058454702
Energy: 0.23065103201708229
Energy: 0.2880004423767418
Energy: 0.22404949139134045
Energy: 0.23018340584010705
Energy: 0.23020194300426092
Energy: 0.22437094344234473
Energy: 0.2331952767434628
Energy: 0.2303369040038713
Energy: 0.22456487237487419
Energy: 0.23151540125587902
Energy: 0.23157724436876298
Energy: 0.22590574297275118
Energy: 0.28228841020319384
Energy: 0.2319528427464761
Energy: 0.22661602310201642
Energy: 0.23092716483006936
Energy: 0.2838917375394328
Energy: 0.2272679171574479
Energy: 0.23301465118587467
Energy: 0.22354973084890684
Energy: 0.22360077605692574
Energy: 0.2241243595586492
Energy: 0.28409299151284584
Energy: 0.2235556744219679
Energy: 0.2579107525722933
Energy: 0.22476640729973266
Energy: 0.28774644075890987
Energy: 0.22492330955327072
Energy: 0.2812624624095039
Energy: 0.25763237456798527
Energy: 0.22412346451939943
Energy: 0.28287468497538343
Energy: 0.2822736195016036
Energy: 0.22342541650833442
Energy: 0.2233707101919497
Energy: 0.28227481792435666
Energy: 0.22623107407211623
Energy: 0.2234981391894415
Energy: 0.28154015036168195
Energy: 0.28191897398074856
Energy: 0.2830524034157743
Energy: 0.28219804528717835
Energy: 0.23631185493048315
Energy: 0.28359134432753774
Energy: 0.23348848789244
Energy: 0.2574100951561276
Energy: 0.2317011929021912
Energy: 0.2340744105645889
Energy: 0.22406710364485605
Energy: 0.2303545682231039
Energy: 0.23047568700940466
Energy: 0.2871997589023676
Energy: 0.2878053220020542
Energy: 0.2304276697214569
Energy: 0.27303260383602806
Energy: 0.2883281623501116
Energy: 0.22548182442214165
Energy: 0.24454213599550528
Energy: 0.24497771547875033
Energy: 0.22706120661279114
Energy: 0.24428222765618948
Energy: 0.2365013433465909
Energy: 0.23082893102221197
Energy: 0.2440132645041344
Energy: 0.24403728136257358
Energy: 0.2309156204253504
Energy: 0.2473362595227755
Energy: 0.24418168223033165
Energy: 0.23066876116461707
Energy: 0.23539850758578065
Energy: 0.2523010458365534
Energy: 0.23134556252005892
Energy: 0.22461922470947784
Energy: 0.2659383349081878
Energy: 0.2674870300258202
Energy: 0.29018981666376353
Energy: 0.2726673594021276
Energy: 0.2670172333759893
Energy: 0.23521989168142987
Energy: 0.26497037176851107
Energy: 0.25191927358317406
Energy: 0.2790451847224109
Energy: 0.2793669883611485
Energy: 0.2519219539923913
Energy: 0.27943200426418424
Energy: 0.2789701869562575
Energy: 0.23376861129686005
Energy: 0.28761274967936096
Energy: 0.27639505551243526
Energy: 0.2359240914622396
Energy: 0.2880817952271366
Energy: 0.25210565990559813
Energy: 0.2673330490480269
Energy: 0.2878382067879988
Energy: 0.26565198331013073
Energy: 0.2644964190390634
Energy: 0.29031155689067645
Energy: 0.30048630520545466
Energy: 0.26454063799494504
Energy: 0.25043181257764285
Energy: 0.2726650670329452
Energy: 0.26469924562838015
Energy: 0.23445787688984923
Energy: 0.27349474607276175
Energy: 0.31999207333080654
Energy: 0.3010015277358384
Energy: 0.25308192982638833
Energy: 0.3106697951723018
Energy: 0.25042330856601575
Energy: 0.2866590404525051
Energy: 0.2716130210796537
Energy: 0.2872764138352718
Energy: 0.28693404844524856
Energy: 0.2715634488229949
Energy: 0.2905130498916674
Energy: 0.2964147736376712

minimum gb energy = 0.22295857263439875 eV
minimum distance =  2.70897217782304 Angstroms
sigma value = 67


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

Energy: 0.3298353112480667
Energy: 0.3470395363136615
Energy: 0.314236155882027
Energy: 0.28857355626482645
Energy: 0.3464916779183962
Energy: 0.3139423491356268
Energy: 0.3713981728802288
Energy: 0.33315148384113663
Energy: 0.33252642595802673
Energy: 0.33375958091646807
Energy: 0.33321732197034876
Energy: 0.3019779637315628
Energy: 0.38899167955556857
Energy: 0.30251608612790915
Energy: 0.3028758679389381
Energy: 0.3697177997257933
Energy: 0.29757017606645825
Energy: 0.30258250086101945
Energy: 0.3344803558152062
Energy: 0.32132873499035564
Energy: 0.3342483858506952
Energy: 0.3349514497157317
Energy: 0.29768437904695905
Energy: 0.33555099107102176
Energy: 0.3313721827393814
Energy: 0.3332506533807077
Energy: 0.30128928551586315
Energy: 0.3312090407918657
Energy: 0.3328756218325264
Energy: 0.30130143473077725
Energy: 0.27994907907563066
Energy: 0.3339970474633359
Energy: 0.3332522023639011
Energy: 0.30146643904373466
Energy: 0.3355861789129712
Energy: 0.3317010638591579
Energy: 0.3368627478377141
Energy: 0.30313692162055067
Energy: 0.3034403819002809
Energy: 0.3373769176073916
Energy: 0.3022707476998109
Energy: 0.30113241870860263
Energy: 0.3361722825497223
Energy: 0.2838006519741789
Energy: 0.31860912817705517
Energy: 0.3366279912861958
Energy: 0.281898189054965
Energy: 0.3025921531968474
Energy: 0.2855103974284178
Energy: 0.31822504413731284
Energy: 0.3194597343428939
Energy: 0.3019134647618724
Energy: 0.29911054772142026
Energy: 0.3220771054772893
Energy: 0.2810193630195823
Energy: 0.30208700436549973
Energy: 0.3045759200862104
Energy: 0.280934248415962
Energy: 0.30099283497539
Energy: 0.2987314280105899
Energy: 0.2810638954018853
Energy: 0.3035312323015758
Energy: 0.35219512939652503
Energy: 0.28189669427188113
Energy: 0.31787946160264174
Energy: 0.35388126400526154
Energy: 0.2837332010980078
Energy: 0.31981723441961496
Energy: 0.34551931816178993
Energy: 0.2843196713517183
Energy: 0.3173375306295104
Energy: 0.2805363406771756
Energy: 0.28512433180569813
Energy: 0.2843764964496761
Energy: 0.34276303442672895
Energy: 0.28588244542237795
Energy: 0.28280735480593844
Energy: 0.28058527917798387
Energy: 0.30032494129473636
Energy: 0.31320708188047564
Energy: 0.34314043497691543
Energy: 0.28168686929470177
Energy: 0.2805235181791505
Energy: 0.34292321735968967
Energy: 0.31484107143420004
Energy: 0.2834583621475
Energy: 0.28663301736334157
Energy: 0.31429004214807243
Energy: 0.28258780896046315
Energy: 0.2803406628096257
Energy: 0.3134271698397839
Energy: 0.31933144790550144
Energy: 0.34858250889432485
Energy: 0.2858601816241922
Energy: 0.28099802883500974
Energy: 0.3467297582331299
Energy: 0.3023298819171976
Energy: 0.27903639480255493
Energy: 0.3209676403927599
Energy: 0.30268674806445295
Energy: 0.27729950110970264
Energy: 0.2992895959829584
Energy: 0.30403291766340734
Energy: 0.3200766982591071
Energy: 0.3207483871761524
Energy: 0.2994042050434347
Energy: 0.31844709458077314
Energy: 0.2988854357897245
Energy: 0.2749407543279639
Energy: 0.2814309136583189
Energy: 0.31482548357414686
Energy: 0.2878841833309225
Energy: 0.28067730662264406
Energy: 0.3183622977775015
Energy: 0.2992422109247935
Energy: 0.3356796892729606
Energy: 0.3023974607117202
Energy: 0.29940882434893396
Energy: 0.334563373783583
Energy: 0.3013001931178853
Energy: 0.3043326592699432
Energy: 0.3167189281006764
Energy: 0.2897059536688154
Energy: 0.30344809589325333
Energy: 0.3264643827291973
Energy: 0.29051141090184335
Energy: 0.3884805468935453
Energy: 0.2891162703434236
Energy: 0.28941636468914084
Energy: 0.3691489030152282
Energy: 0.28668429136237317
Energy: 0.2851886563301895
Energy: 0.35738434817890463
Energy: 0.3368424298586836
Energy: 0.3399183745980198
Energy: 0.3491628612924735
Energy: 0.3347841163498511
Energy: 0.3027950543915168

minimum gb energy = 0.2749407543279639 eV
minimum distance =  2.69043978838575 Angstroms
sigma value = 33


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

Energy: 0.38457448309694203
Energy: 0.3552024328878029
Energy: 0.37103129045732297
Energy: 0.32993952124826864
Energy: 0.38450112357621197
Energy: 0.35541182223760076
Energy: 0.3980524691311266
Energy: 0.3536626849844811
Energy: 0.35445804005415393
Energy: 0.3563274023648304
Energy: 0.3981784214526981
Energy: 0.3515333789833236
Energy: 0.41600308782740336
Energy: 0.3514067920090966
Energy: 0.33678920047346217
Energy: 0.4165813351699544
Energy: 0.3505906785461622
Energy: 0.3528057912072387
Energy: 0.35161661004075084
Energy: 0.3181896200895769
Energy: 0.32216077707633056
Energy: 0.35274736140097857
Energy: 0.34892336245060385
Energy: 0.3189719482017142
Energy: 0.3509570131930928
Energy: 0.35286182899748564
Energy: 0.3232232171842867
Energy: 0.3510097053231246
Energy: 0.3550351993693867
Energy: 0.3214450615603332
Energy: 0.31748883890178353
Energy: 0.31767163468027965
Energy: 0.317581375599059
Energy: 0.31935306431600263
Energy: 0.31803079918878274
Energy: 0.3537371616752745
Energy: 0.35124825933300097
Energy: 0.3186401508082258
Energy: 0.318980522664694
Energy: 0.3510325371001479
Energy: 0.31908681974715686
Energy: 0.3221093552639834
Energy: 0.3512399549561942
Energy: 0.31689027803255676
Energy: 0.3184744267089596
Energy: 0.3513497860618785
Energy: 0.31945881583786206
Energy: 0.3514035183114111
Energy: 0.31783590213504914
Energy: 0.36186651674976905
Energy: 0.32270963521976626
Energy: 0.3226919577725849
Energy: 0.3175235471831979
Energy: 0.38906785032081637
Energy: 0.3181400882413455
Energy: 0.3208931557242632
Energy: 0.3174141758803401
Energy: 0.35128891382927085
Energy: 0.31822183414034744
Energy: 0.3169896006889274
Energy: 0.3427347633692736
Energy: 0.35322576298109337
Energy: 0.3791264005566401
Energy: 0.3190404002095329
Energy: 0.31832604456969493
Energy: 0.3780914903205097
Energy: 0.3172134853201487
Energy: 0.31773995489844065
Energy: 0.3176512274282946
Energy: 0.31729239103471507
Energy: 0.32857599172863905
Energy: 0.3170985161434399
Energy: 0.31753716462643145
Energy: 0.3228051926428252
Energy: 0.31748717192582215
Energy: 0.3174852706129426
Energy: 0.3223594722564589
Energy: 0.3171452152643263
Energy: 0.3078341840277437
Energy: 0.3428382000308743
Energy: 0.3227348467751461
Energy: 0.3093433435385291
Energy: 0.3422738407031085
Energy: 0.3804009761701586
Energy: 0.30763346517088264
Energy: 0.35435117862358856
Energy: 0.3511207949613429
Energy: 0.30779153912373886
Energy: 0.35205646371034205
Energy: 0.3219198782478114
Energy: 0.32284923923490577
Energy: 0.3280736049005251
Energy: 0.30716746552973406
Energy: 0.32305128957627666
Energy: 0.32574688016739944
Energy: 0.3238958599189487
Energy: 0.4148422939185805
Energy: 0.32558022468286923
Energy: 0.3255429707135952
Energy: 0.41522595740106527
Energy: 0.32842889266917447
Energy: 0.3451469248356785
Energy: 0.39750851224070577
Energy: 0.3518403305820717
Energy: 0.3515321217101244
Energy: 0.35574019147748914
Energy: 0.35271244769047766
Energy: 0.4013669293948873
Energy: 0.3251073410867246
Energy: 0.35650468442627703
Energy: 0.3266323309831256
Energy: 0.3286261047668191
Energy: 0.3564220685258283
Energy: 0.34399188290790544
Energy: 0.37320493080703465
Energy: 0.3527205215932384
Energy: 0.3541583202666618
Energy: 0.3733498006937335
Energy: 0.3981463475736452
Energy: 0.3521691532488518
Energy: 0.41812563494194255
Energy: 0.3379026348014414
Energy: 0.33746668004006725
Energy: 0.41840436480650195
Energy: 0.35748251834479117
Energy: 0.352738054257738
Energy: 0.35225790208490443
Energy: 0.3494265371682344
Energy: 0.34323498671033464
Energy: 0.35250223985011286
Energy: 0.350517848740544
Energy: 0.3181247843017443
Energy: 0.3510644425186228
Energy: 0.3528821524081454
Energy: 0.323349521960734
Energy: 0.3512002248468445
Energy: 0.39791569463567456
Energy: 0.32150375638422346
Energy: 0.3173856233135543
Energy: 0.3170270074815362
Energy: 0.3173760515841647
Energy: 0.31626277582720624
Energy: 0.3171256007149962
Energy: 0.3644025488505505
Energy: 0.3509554191866282
Energy: 0.31861649708257933
Energy: 0.36496373166506424
Energy: 0.3511185264344578
Energy: 0.31877096071194616
Energy: 0.34276138890491764
Energy: 0.35345610393450494
Energy: 0.31696246754753105
Energy: 0.3377310052089695
Energy: 0.3540670183616162
Energy: 0.3193360684800958
Energy: 0.3520219743748628
Energy: 0.35167327980005375
Energy: 0.3173197021165917
Energy: 0.3940093267930431
Energy: 0.3182242802690424
Energy: 0.31809106055759695
Energy: 0.39004136361726455
Energy: 0.31731063400273046
Energy: 0.31755452155988495
Energy: 0.31737270278267116
Energy: 0.3503531656425966
Energy: 0.31869131126671096
Energy: 0.3169811940723601
Energy: 0.3426385076957357
Energy: 0.31826247835015353
Energy: 0.3774800599573478
Energy: 0.3195341304936738
Energy: 0.3179782366323332
Energy: 0.37939074929587696
Energy: 0.31712354729283326
Energy: 0.3172768549791103
Energy: 0.3175173928632988
Energy: 0.31717739133544953
Energy: 0.32621527579135734
Energy: 0.3171876739529185
Energy: 0.3202152448397255
Energy: 0.32283471240049705
Energy: 0.3174706646942468
Energy: 0.32102571427231286
Energy: 0.3227491137079242
Energy: 0.3172309298674585
Energy: 0.3080221247833646
Energy: 0.32247734863176664
Energy: 0.39341388335582966
Energy: 0.30877135308803405
Energy: 0.3439105135476263
Energy: 0.37904560037171875
Energy: 0.30735046264630594
Energy: 0.35452798728553137
Energy: 0.35193532772491126
Energy: 0.3076239384819586
Energy: 0.35227758852831587
Energy: 0.32176002760705796
Energy: 0.32321013920281866
Energy: 0.3262155734215359
Energy: 0.31861326328236106
Energy: 0.3228229214562806
Energy: 0.32575854421739475
Energy: 0.32156858007653527
Energy: 0.4149100778989531
Energy: 0.32563890741344137
Energy: 0.3258696824048953
Energy: 0.415105516983415
Energy: 0.3100445460434985
Energy: 0.3449690874745506
Energy: 0.39726785938574494
Energy: 0.351749156982463
Energy: 0.35135174535404967
Energy: 0.3555852086705404
Energy: 0.35215258893365264
Energy: 0.3236742184853474
Energy: 0.3251227971461552
Energy: 0.3570923754380063
Energy: 0.3256573634672719
Energy: 0.32755394068105737
Energy: 0.3566564922885772
Energy: 0.343967309874928

minimum gb energy = 0.30716746552973406 eV
minimum distance =  2.6948924398632 Angstroms
sigma value = 41


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

Energy: 0.42063856430554947
Energy: 0.3878484174960933
Energy: 0.42124395604408277
Energy: 0.3692972379205636
Energy: 0.39189653599829183
Energy: 0.42102246719764996
Energy: 0.43434952978721697
Energy: 0.3897632705540051
Energy: 0.3914974899325716
Energy: 0.38770146647530496
Energy: 0.38919417465443956
Energy: 0.3815256570158241
Energy: 0.4407100569942772
Energy: 0.38392992167488776
Energy: 0.3689039939663558
Energy: 0.44089895535434087
Energy: 0.38139135075001274
Energy: 0.41701295424413465
Energy: 0.38975474441475
Energy: 0.3836695399213422
Energy: 0.36919668199148115
Energy: 0.38994371600081446
Energy: 0.3867982905709908
Energy: 0.3812997704226645
Energy: 0.38025513696573154
Energy: 0.3905711854405316
Energy: 0.38792219947310763
Energy: 0.3802060750374693
Energy: 0.39015821336788875
Energy: 0.3790360493449476
Energy: 0.40783156378917496
Energy: 0.4087874173863044
Energy: 0.40770284012972585
Energy: 0.3975585281402749
Energy: 0.4084662647837392
Energy: 0.36915093947611105
Energy: 0.3806846322343792
Energy: 0.3777216482786922
Energy: 0.3766160123425859
Energy: 0.3803252205988141
Energy: 0.37841567332388554
Energy: 0.3801512501182013
Energy: 0.382740253514465
Energy: 0.37091945355481054
Energy: 0.38032958822259355
Energy: 0.3834323005133724
Energy: 0.3984670400306586
Energy: 0.37972331178783075
Energy: 0.4307362212714282
Energy: 0.43477560592246145
Energy: 0.39918622415290084
Energy: 0.43270334879033306
Energy: 0.39461079561553686
Energy: 0.36964622101052746
Energy: 0.40453903685745285
Energy: 0.3836016137643794
Energy: 0.3797521975744667
Energy: 0.39652496043838714
Energy: 0.38094482297822796
Energy: 0.36929816576208035
Energy: 0.39276633531777677
Energy: 0.3806489858320936
Energy: 0.3709913293058976
Energy: 0.3976580687303538
Energy: 0.3585214518439572
Energy: 0.37076057102591126
Energy: 0.4386253845784963
Energy: 0.35848717579745804
Energy: 0.39060640694192506
Energy: 0.43894173342337006
Energy: 0.35853209970231187
Energy: 0.4184948232825223
Energy: 0.4348567750976937
Energy: 0.3811600381653007
Energy: 0.38897714081104673
Energy: 0.3885401649607693
Energy: 0.3827965280036121
Energy: 0.3813813180186263
Energy: 0.3583599959285439
Energy: 0.3874932599735311
Energy: 0.36002323243277395
Energy: 0.36187231050720925
Energy: 0.3871907579856348
Energy: 0.39105097709101533

minimum gb energy = 0.3583599959285439 eV
minimum distance =  2.68707896867938 Angstroms
sigma value = 11


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

Energy: 0.6917434144710292
Energy: 0.48548840893293727
Energy: 0.47505470058740684
Energy: 0.454092412684629
Energy: 0.47362619331551575
Energy: 0.4474015110430558
Energy: 0.5199915871389588
Energy: 0.4177357772641777
Energy: 0.4176490141437876
Energy: 0.45073648633183955
Energy: 0.41776827597911065
Energy: 0.41791614004087163
Energy: 0.48620554405992156
Energy: 0.4301678153758723
Energy: 0.440529848002748
Energy: 0.5123106665990013
Energy: 0.4091620003596753
Energy: 0.44140398904159567
Energy: 0.44547558153904443
Energy: 0.4094893404746539
Energy: 0.43030382112176657
Energy: 0.4321003435071006
Energy: 0.4321350704456033
Energy: 0.4313307664485821
Energy: 0.4498589156906328
Energy: 0.41881636508932435
Energy: 0.4178664812983704
Energy: 0.44570149714625357
Energy: 0.4187732536290151
Energy: 0.41782252704161926
Energy: 0.45957787229756003
Energy: 0.4338606187700633
Energy: 0.43410021792024345
Energy: 0.41903115379430916
Energy: 0.4339456973965444
Energy: 0.43019291512126207
Energy: 0.43390270284927424
Energy: 0.4272924506718424
Energy: 0.43302065309794785
Energy: 0.4309292280269937
Energy: 0.4188032566284216
Energy: 0.43093317212407906
Energy: 0.4320600175508368
Energy: 0.4458880373043109
Energy: 0.4178255238220021
Energy: 0.41866049485180024
Energy: 0.45027832292471565
Energy: 0.4177660793088702
Energy: 0.4150911367250602
Energy: 0.4329319441208938
Energy: 0.4414124985342031
Energy: 0.43594061289041924
Energy: 0.42572869845584194
Energy: 0.4112803233600746
Energy: 0.41486497989259563
Energy: 0.44338522618518106
Energy: 0.44180951266479357
Energy: 0.43549051846744663
Energy: 0.43364023251231015
Energy: 0.4112748139328664
Energy: 0.43155953423505133
Energy: 0.4347877475260355
Energy: 0.4177998813561232
Energy: 0.4187449209233046
Energy: 0.43199076945623527
Energy: 0.4177264364740165
Energy: 0.42241743507295937
Energy: 0.4392189302224785
Energy: 0.4408660728833508
Energy: 0.42280038652439794
Energy: 0.44076505890838064
Energy: 0.45387741183225244
Energy: 0.41762785984735634
Energy: 0.46047771501944235
Energy: 0.454039508788189
Energy: 0.4176514107732454
Energy: 0.44464359086540806
Energy: 0.4179086961832764
Energy: 0.44477501709059997
Energy: 0.486181844451732
Energy: 0.4419465586094242
Energy: 0.4091162757909822
Energy: 0.45967573928413086
Energy: 0.44200446536341437
Energy: 0.4096424164241588
Energy: 0.4402674755032122
Energy: 0.44069545519452086
Energy: 0.4097864630860326
Energy: 0.4360042427560331
Energy: 0.4096600466525202
Energy: 0.40946105436552016
Energy: 0.4402593426504452
Energy: 0.4099907721082477
Energy: 0.41024011974164604
Energy: 0.4363661239593657
Energy: 0.4095441540739247
Energy: 0.4094319524347452
Energy: 0.43562292039725825
Energy: 0.43305912705867206
Energy: 0.4095460239803538
Energy: 0.4346510933412469
Energy: 0.4227915219883784
Energy: 0.45774322939780754
Energy: 0.45477664940892815
Energy: 0.4437058332722727
Energy: 0.43090817451829105
Energy: 0.45423833510828066
Energy: 0.43590921051719084
Energy: 0.4248853029477826
Energy: 0.4289735419642288
Energy: 0.4252332229074688
Energy: 0.4244725168779883
Energy: 0.4298989284861377
Energy: 0.4377413995073955
Energy: 0.44950375714825724
Energy: 0.41067106859634395
Energy: 0.44254815755215776
Energy: 0.429299345533041
Energy: 0.41077423578827427
Energy: 0.43682409510982334
Energy: 0.4731195540418332
Energy: 0.41116626504225334
Energy: 0.4430269592748788
Energy: 0.4260350592847946
Energy: 0.4352285840422506
Energy: 0.4331661981691565
Energy: 0.42944886439429253
Energy: 0.425660112977952
Energy: 0.43325407945802197
Energy: 0.4169532145721057
Energy: 0.4300427079009473
Energy: 0.4320326006064781
Energy: 0.41681901908165875
Energy: 0.429776559376479
Energy: 0.446633952823003
Energy: 0.4088713281923851
Energy: 0.42927707306639323
Energy: 0.440941121138986
Energy: 0.47422606227470415
Energy: 0.4246313869714239
Energy: 0.44022738421494007
Energy: 0.429437861080154
Energy: 0.42413839309637563
Energy: 0.4253052127157378
Energy: 0.4722520856970893
Energy: 0.4362032186421484
Energy: 0.43505753224563787
Energy: 0.4729866077661264
Energy: 0.4437067845964008
Energy: 0.44470909428140043
Energy: 0.4696962221554292
Energy: 0.40967498210963477
Energy: 0.42174400343400137
Energy: 0.43364691611748774
Energy: 0.40960678057177285
Energy: 0.4370976222790832
Energy: 0.46346275604429144
Energy: 0.4091980196809971
Energy: 0.40919362425524597
Energy: 0.43557751439085335
Energy: 0.41081571199143296
Energy: 0.4095932263825532
Energy: 0.4631849667256778
Energy: 0.4166353846804008
Energy: 0.42248069496317214
Energy: 0.4505136509195716
Energy: 0.4097048146616535
Energy: 0.44016294168160897
Energy: 0.4971286383289416
Energy: 0.4366474447400629
Energy: 0.4377428545958635
Energy: 0.4359174112338309
Energy: 0.4505035617990194
Energy: 0.4405019415025683
Energy: 0.5257447862193813
Energy: 0.41800830057174343
Energy: 0.4179016138510842
Energy: 0.4484234999823887
Energy: 0.4177419941097886
Energy: 0.45128517611099916
Energy: 0.4115461671052335
Energy: 0.42115025804026907
Energy: 0.4470140641438374
Energy: 0.41053344945051135
Energy: 0.42349044113751116
Energy: 0.4404733755932587

minimum gb energy = 0.4088713281923851 eV
minimum distance =  2.67925642100494 Angstroms
sigma value = 57


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

Energy: 0.6309282931911695
Energy: 17.893748257592986
Energy: 0.49667121652418095
Energy: 0.5295788654360862
Energy: 0.6668834163870216
Energy: 0.5301596347246206
Energy: 0.46339055534892354
Energy: 0.4042448844377276
Energy: 0.4037955459653095
Energy: 0.42210692100186015
Energy: 0.41982276226073045
Energy: 0.4026644568811097
Energy: 0.4481599037334535
Energy: 0.40251606341928425
Energy: 0.40336711821403815
Energy: 0.44888003683361816
Energy: 0.41567360189153585
Energy: 0.404497087933805
Energy: 0.41628017577565074
Energy: 0.40450001318348705
Energy: 0.4020463121647668
Energy: 0.4165618237230584
Energy: 0.4150006828296156
Energy: 0.4022711712263623
Energy: 0.42010935731544735
Energy: 0.40515462854775935
Energy: 0.4034843076495283
Energy: 0.420128688569819
Energy: 0.4181803426507672
Energy: 0.40217424165081134
Energy: 0.417276123813287
Energy: 0.4478507618937468
Energy: 0.42312240560097286
Energy: 0.421535568997872
Energy: 0.4479146223909958
Energy: 0.40353895208809887
Energy: 0.4477622441421884
Energy: 0.43988101693119575
Energy: 0.44221881811279784
Energy: 0.4487344411723562
Energy: 0.43876408431593966
Energy: 0.4473380238770239
Energy: 0.46266125385345935
Energy: 0.41791183543311705
Energy: 0.40335197378906984
Energy: 0.41905347846090807
Energy: 0.4209565486626985
Energy: 0.4025004081905323
Energy: 0.38921200038096276
Energy: 0.4169283596315356
Energy: 0.44103721480711927
Energy: 0.38917194353412465
Energy: 0.4156631658778571
Energy: 0.38962844478917086
Energy: 0.3891463205035144
Energy: 0.4183409847945755
Energy: 0.3897677052165281
Energy: 0.38923086099664683
Energy: 0.4182414881786985
Energy: 0.3897393278095775
Energy: 0.46275965417280324
Energy: 0.418122493529594
Energy: 0.40271234502853287
Energy: 0.4189005861541404
Energy: 0.4225430350614262
Energy: 0.4025958200003087
Energy: 0.44314478773478533
Energy: 0.443070821616894
Energy: 0.4416927372893846
Energy: 0.4438057880952976
Energy: 0.4210789356841517
Energy: 0.44234384800074195
Energy: 0.4217051393285533
Energy: 0.4223943840993757
Energy: 0.4042925409761988
Energy: 0.42138929671337755
Energy: 0.42127282035260083
Energy: 0.4036358783617128
Energy: 0.4169654179534068
Energy: 0.4495702658859556
Energy: 0.4424909936662098
Energy: 0.42176118457749384
Energy: 0.4489367018860914
Energy: 0.417313559897604
Energy: 0.42080851208448233
Energy: 0.4403733797219466
Energy: 0.40285260138423806
Energy: 0.4208852273115208
Energy: 0.4395321147135446
Energy: 0.40217076578462824
Energy: 0.4635307449031861
Energy: 0.44037338805900705
Energy: 0.3907101306410491
Energy: 0.46487795475284904
Energy: 0.4395627751916774
Energy: 0.40433443095525834
Energy: 0.3892222416428652
Energy: 0.40246234626658894
Energy: 0.40398154249915647
Energy: 0.38918755867709603
Energy: 0.4198787756126487
Energy: 0.4036878892326107

minimum gb energy = 0.3891463205035144 eV
minimum distance =  2.71112507683743 Angstroms
sigma value = 9


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

Energy: 0.794897866862303
Energy: 0.4716487006774288
Energy: 0.5247748426532441
Energy: 0.4482929043083556
Energy: 0.47561064665217584
Energy: 0.48015962825558833
Energy: 0.4992587766725548
Energy: 0.4605203712613592
Energy: 0.4620983147972139
Energy: 0.4490040058432813
Energy: 0.4579403820811537
Energy: 0.45714810557975755
Energy: 0.4674614194091095
Energy: 0.46205057277856404
Energy: 0.4582625873170665
Energy: 0.4429921017001886
Energy: 0.46529170800976566
Energy: 0.45188934769648775
Energy: 0.44863465219141985
Energy: 0.44806171871999856
Energy: 0.45615678530985787
Energy: 0.444790006784668
Energy: 0.44811967377965756
Energy: 0.46101821230396944
Energy: 0.48394738421952177
Energy: 0.4341001058778742
Energy: 0.434072663603886
Energy: 0.43205826778062173
Energy: 0.46469177305106046
Energy: 0.43169238134218096
Energy: 0.45444170955162766
Energy: 0.45245944335376415
Energy: 0.4514254714617232
Energy: 0.45543211158987973
Energy: 0.45217076154849767
Energy: 0.4516006523823891
Energy: 0.442641109719063
Energy: 0.4518423130698611
Energy: 0.4433107971402985
Energy: 0.4431049902856174
Energy: 0.45492620225584035
Energy: 0.44303294633048407
Energy: 0.46340683522083986
Energy: 0.45383250495628435
Energy: 0.4528553819967048
Energy: 0.44431707000053916
Energy: 0.45530770738817017
Energy: 0.45369545745558404
Energy: 0.4735223721263093
Energy: 0.4456215882557235
Energy: 0.43658308738432317
Energy: 0.47072314586901814
Energy: 0.4530570801736127
Energy: 0.45016924021717153
Energy: 0.4594400054988921
Energy: 0.44460290119258
Energy: 0.43515568966580787
Energy: 0.47001674286701994
Energy: 0.44275636290919984
Energy: 0.43123895454128286
Energy: 0.4682861905505154
Energy: 0.4542188051650989
Energy: 0.44369261027715856
Energy: 0.44549439480830555
Energy: 0.45594326393874013
Energy: 0.44190884452979634
Energy: 0.46332657121681536
Energy: 0.4504704689167278
Energy: 0.45202295556281774
Energy: 0.4572588486954735
Energy: 0.4500623833985464
Energy: 0.45222588633403416
Energy: 0.4826626766671935
Energy: 0.4483831027047162
Energy: 0.4503471356269764
Energy: 0.46098990712879045
Energy: 0.4458759620982516
Energy: 0.4511703669448701
Energy: 0.46428842574741735
Energy: 0.44990413125181866
Energy: 0.44853724615203533
Energy: 0.4425279585127174
Energy: 0.4598687918061099
Energy: 0.45664052024295504
Energy: 0.46118466132052005
Energy: 0.45265589702263087
Energy: 0.45949162916997305
Energy: 0.4618172879889776
Energy: 0.45306813526147316
Energy: 0.46269200062240673
Energy: 0.4529402132535141
Energy: 0.46292999770433374
Energy: 0.43022768404628775
Energy: 0.45359600761873736
Energy: 0.4669963118696689
Energy: 0.4349904862922096
Energy: 0.4548097264020993
Energy: 0.4572001074564662
Energy: 0.4564307760297908
Energy: 0.4564427873535562
Energy: 0.4589289278203212
Energy: 0.459628665383046
Energy: 0.5340434092825731
Energy: 0.4487750216800486
Energy: 0.4320981375059642
Energy: 0.45014593734022146
Energy: 0.4560414285124403
Energy: 0.4315450821261278
Energy: 0.4541058991911232
Energy: 0.44920435327382796
Energy: 0.44998804034809164
Energy: 0.45463144157903795
Energy: 0.4764596720765673
Energy: 0.4506759422973957
Energy: 0.45355660320347
Energy: 0.46477081200655657
Energy: 0.4619048889523204
Energy: 0.4426657000567807
Energy: 0.46794931061962164
Energy: 0.45083550575808795
Energy: 0.4567521083902471
Energy: 0.4559548522867616
Energy: 0.46123783559480314
Energy: 0.4496991370012122
Energy: 0.4547134338501633
Energy: 0.45347374754630587

minimum gb energy = 0.43022768404628775 eV
minimum distance =  2.65720291899561 Angstroms
sigma value = 27


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

Energy: 0.7095915648775744
Energy: 8.21353291768526
Energy: 0.44843848840748235
Energy: 0.47619500171310486
Energy: 0.6037559432970115
Energy: 0.467861443364475
Energy: 0.5459196867480125
Energy: 0.47852057110323887
Energy: 0.46059308411664607
Energy: 0.4528792514026771
Energy: 0.4703047977148364
Energy: 0.4593969969879358
Energy: 0.5227977073963661
Energy: 0.4609670327601262
Energy: 0.46631239075023356
Energy: 0.4494931999840036
Energy: 0.4687740844397515
Energy: 0.46778971252864443
Energy: 0.5037799153100575
Energy: 0.4612888666196278
Energy: 0.4503686781142358
Energy: 0.45498601925208765
Energy: 0.446533188423762
Energy: 0.48659534888949574
Energy: 0.479703707640112
Energy: 0.4766835385816145
Energy: 0.46719636473519516
Energy: 0.4660297482418311
Energy: 0.4718262742293251
Energy: 0.4660993159163778
Energy: 0.5280366457664138
Energy: 0.48713240786864775
Energy: 0.487931671177173
Energy: 0.48373887935009857
Energy: 0.4912443986410145
Energy: 0.4827126048222142
Energy: 0.5083770362165909
Energy: 0.47200257937792695
Energy: 0.4771958163065888
Energy: 0.4337286709018815
Energy: 0.4760591549002464
Energy: 0.4641655298246293
Energy: 0.49797146462043895
Energy: 0.47387988577649437
Energy: 0.5197281067344912
Energy: 0.494759998211201
Energy: 0.4607414896005047
Energy: 0.4556620080651521
Energy: 0.5346651671575643
Energy: 0.48053340649608955
Energy: 0.48487333270242006
Energy: 0.4885124679737733
Energy: 0.4962932662296973
Energy: 0.4894342338257683
Energy: 0.5373542048996592
Energy: 0.46946006536602347
Energy: 0.469687646334254
Energy: 0.489890281022369
Energy: 0.471443236372797
Energy: 0.47296106503188096
Energy: 0.49631110174091136
Energy: 0.5156640245309706
Energy: 0.5039675177626193
Energy: 0.4847403002664431
Energy: 0.4648319186245562
Energy: 0.4801309422744187
Energy: 0.4862789825995183
Energy: 0.4733021142268143
Energy: 0.4747902563937307
Energy: 0.47857065301695473
Energy: 0.4753413484466379
Energy: 0.47549447989342436
Energy: 0.5184693736162023
Energy: 0.48095312027257503
Energy: 0.46170963714710384
Energy: 0.48738994416688936
Energy: 0.48330236633027546
Energy: 0.469460403086284
Energy: 0.5352948069042143
Energy: 0.48256927209509565
Energy: 0.4781936148896858
Energy: 0.4910793405164216
Energy: 0.47439275083339383
Energy: 0.48651250357212145
Energy: 0.4847214832811976
Energy: 0.47333817117917953
Energy: 0.47004677519288446
Energy: 0.47718241322436267
Energy: 0.4739873666842103
Energy: 0.4695280970181123
Energy: 0.4985749359505552
Energy: 0.4650907669109252
Energy: 0.48277730989932893
Energy: 0.48264765488058653
Energy: 0.4724871781077749
Energy: 0.4835777844810891
Energy: 0.4639660745779234
Energy: 0.4769269524761364
Energy: 0.47794213424384885
Energy: 0.4630679664643056
Energy: 0.47701089548533554
Energy: 0.4766798867169238
Energy: 0.49771348453674585
Energy: 0.4792377803727165
Energy: 0.4874384417758901
Energy: 0.48891449703065754
Energy: 0.4936425104291852
Energy: 0.4917985679600793
Energy: 0.48995359640943165
Energy: 0.47572126068969595
Energy: 0.47807546691098407
Energy: 0.48746016042687673
Energy: 0.47675877460106875
Energy: 0.46027420624864546
Energy: 0.4879957220865409
Energy: 0.47570655728486133
Energy: 0.47777973401988005
Energy: 0.4397525389821301
Energy: 0.476008918651878
Energy: 0.47629381276065796
Energy: 0.5781234156096384
Energy: 0.49004369211824356
Energy: 0.48994402204262993
Energy: 0.49058144078770594
Energy: 0.49524769076270964
Energy: 0.4870171591454042
Energy: 0.47686842018256814
Energy: 0.4773098905606578
Energy: 0.46095937147365795
Energy: 0.4735612343103579
Energy: 0.5044574809348062
Energy: 0.4716344185718034
Energy: 0.5001862173474826
Energy: 0.4554971444355537
Energy: 0.4459766275928309
Energy: 0.43842224638343213
Energy: 0.44480292311368513
Energy: 0.4931559000109579
Energy: 0.5041223405495526
Energy: 0.46124652096965335
Energy: 0.4618289909076991
Energy: 0.4363865390162705
Energy: 0.4631049479187297
Energy: 0.4644923446733417
Energy: 0.4865926834205395
Energy: 0.47788792227270716
Energy: 0.45390436149839
Energy: 0.4681319815108495
Energy: 0.4788393364719686
Energy: 0.4775339702783423

minimum gb energy = 0.4337286709018815 eV
minimum distance =  2.595495804604 Angstroms
sigma value = 19


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

Energy: 0.47504235915676396
Energy: 0.4503481113340739
Energy: 0.44435694348534377
Energy: 0.45350699570875036
Energy: 0.46965381299562486
Energy: 0.4453293383283011
Energy: 0.5051880863016279
Energy: 0.4437468440994597
Energy: 0.44334080975479373
Energy: 0.45489075941523116
Energy: 0.4427672907097662
Energy: 0.4441529737618235
Energy: 0.4576149533020982
Energy: 0.4493475150596084
Energy: 0.44928142837926477
Energy: 0.4507333221257877
Energy: 0.4496521525381241
Energy: 0.4495264240444284
Energy: 0.45463978614542966
Energy: 0.4481818804948151
Energy: 0.4475402360085433
Energy: 0.44295518291832864
Energy: 0.44227952594260833
Energy: 0.44031684716036884
Energy: 0.46090198852549125
Energy: 0.45027830386643103
Energy: 0.4491010977058424
Energy: 0.456163321032936
Energy: 0.45094470541027304
Energy: 0.44890118239367655
Energy: 0.46659737144262503
Energy: 0.4641585190798498
Energy: 0.4510640896984703
Energy: 0.441989068873749
Energy: 0.4724857856123899
Energy: 0.44133264126374266
Energy: 0.45682308642151886
Energy: 0.45260137202873657
Energy: 0.452307697849473
Energy: 0.4542022579153755
Energy: 0.4524049440692786
Energy: 0.45027594952949507
Energy: 0.4539564117973191
Energy: 0.4583379944615896
Energy: 0.4421782160520902
Energy: 0.44061496504303505
Energy: 0.45413530509663447
Energy: 0.44336829576777864
Energy: 0.45493723251056495
Energy: 0.4446960921155736
Energy: 0.4489285549912421
Energy: 0.44886265365042305
Energy: 0.44676603295635736
Energy: 0.45198186650900024
Energy: 0.4525451676236718
Energy: 0.45064953785555434
Energy: 0.4513056560877084
Energy: 0.4505058684445071
Energy: 0.4573776518786502
Energy: 0.45450627522514625
Energy: 0.4556254213244078
Energy: 0.44229826627867513
Energy: 0.4423258378016089
Energy: 0.45543931353178785
Energy: 0.44159435603366226
Energy: 0.4282574623809065
Energy: 0.48026590720362344
Energy: 0.45097079553930147
Energy: 0.4414273777264209
Energy: 0.45626485887879237
Energy: 0.4573053190040488
Energy: 0.42346914884131825
Energy: 0.46259770192733823
Energy: 0.4451935224423348
Energy: 0.450268480721193
Energy: 0.4509303830780159
Energy: 0.4446571062113135
Energy: 0.44850232326051764
Energy: 0.46101600138955606
Energy: 0.4517532934562739
Energy: 0.44654481439092203
Energy: 0.4450466428174722
Energy: 0.4509818316844158
Energy: 0.4513461006925491
Energy: 0.45572067708355535
Energy: 0.44001933820331457
Energy: 0.4444360650895314
Energy: 0.436504688956622
Energy: 0.44084073929512463
Energy: 0.44231235820232906
Energy: 0.46121984260717697
Energy: 0.4408061307879835
Energy: 0.44236631802297033
Energy: 0.4525294488697736
Energy: 0.4411245771712197
Energy: 0.4253769345312692
Energy: 0.45362953279931545
Energy: 0.44988601607465417
Energy: 0.45392096226402956
Energy: 0.4412811133951729
Energy: 0.44740967984108104
Energy: 0.45470594106306206
Energy: 0.4591010060673605
Energy: 0.4311569085846799
Energy: 0.43110430312320785
Energy: 0.44689352106829155
Energy: 0.4519157378088197
Energy: 0.4254429047709246
Energy: 0.4613526388133731
Energy: 0.4482880439667673
Energy: 0.4532716411555353
Energy: 0.44552695329552344
Energy: 0.4480079829968563
Energy: 0.43335772847380694
Energy: 0.44581029656638277
Energy: 0.45155794536531363
Energy: 0.4484197817868154
Energy: 0.43539289488237287
Energy: 0.44794736198642265
Energy: 0.4366164064888705
Energy: 0.4431561064734361
Energy: 0.43077804023084687
Energy: 0.4256803711409659
Energy: 0.4431600141459231
Energy: 0.44534022900153
Energy: 0.44451901492056906
Energy: 0.44127719445835195
Energy: 0.42738849286630637
Energy: 0.42363173099854035
Energy: 0.44209214199816516
Energy: 0.43026635869581803
Energy: 0.44242578622101597
Energy: 0.4512042736328232
Energy: 0.45453451354322527
Energy: 0.45108652739771193
Energy: 0.45120336478441364
Energy: 0.45379489945946777
Energy: 0.44737096804105014
Energy: 0.4619707444730128
Energy: 0.4380062751885408
Energy: 0.4511025540692168
Energy: 0.45574115500089946
Energy: 0.4378540810115103
Energy: 0.4513747706869295
Energy: 0.45767343182860337
Energy: 0.4276406938290406
Energy: 0.4274074899094659
Energy: 0.44408547295281225
Energy: 0.43504527551427014
Energy: 0.4224543143014163
Energy: 0.45941924387297484
Energy: 0.4407881469904828
Energy: 0.44063292606532706
Energy: 0.4480331056595593
Energy: 0.4410093050205599
Energy: 0.44711259570032275
Energy: 0.4583522608258659
Energy: 0.449225153386689
Energy: 0.45253233441989854
Energy: 0.45842049987048217
Energy: 0.4495417221286463
Energy: 0.45412348043202455
Energy: 0.4576481809572593
Energy: 0.448557776010716
Energy: 0.4487114824639802
Energy: 0.4464655864294505
Energy: 0.45173510672220485
Energy: 0.4487439912947255
Energy: 0.4566006018543778
Energy: 0.4680808099510602
Energy: 0.465785103473411
Energy: 0.4538530011755389
Energy: 0.4689997599915805
Energy: 0.4468151677872113

minimum gb energy = 0.4224543143014163 eV
minimum distance =  2.66536313169813 Angstroms
sigma value = 101


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

Energy: 0.6890748779263749
Energy: 0.4477384343864125
Energy: 0.44815775245118034
Energy: 0.41031507191472966
Energy: 0.432052684775627
Energy: 0.41019268269933484
Energy: 0.4728626828011876
Energy: 0.4309384564737553
Energy: 0.43022040464720596
Energy: 0.4638456175955162
Energy: 0.4372405814718935
Energy: 0.4259854118942286
Energy: 0.4590435895273796
Energy: 0.4274080190517808
Energy: 0.4330396235200658
Energy: 0.4318002295226754
Energy: 0.42575617142419636
Energy: 0.4282015527871689
Energy: 0.44989124495710203
Energy: 0.4252825166470662
Energy: 0.42465428074448147
Energy: 0.43226113042139197
Energy: 0.4240407033818659
Energy: 0.43689641008878854
Energy: 0.43560385875228
Energy: 0.42738777619788393
Energy: 0.42921248934567013
Energy: 0.4354006369995069
Energy: 0.43164183398042616
Energy: 0.4361680299324711
Energy: 0.4318058487000507
Energy: 0.45077364776865847
Energy: 0.4350425207851463
Energy: 0.43210406366170145
Energy: 0.45460879531111675
Energy: 0.42558011154222053
Energy: 0.44142330147590636
Energy: 0.4261322170056531
Energy: 0.43145898569150837
Energy: 0.44403341789082296
Energy: 0.4238902170340964
Energy: 0.42724675546347424
Energy: 0.42511381036591944
Energy: 0.4408112425376611
Energy: 0.44065182218007176
Energy: 0.4452509175469897
Energy: 0.43287128009868037
Energy: 0.4422547809092965
Energy: 0.4247742973009822
Energy: 0.42961686681201877
Energy: 0.4347629315892688
Energy: 0.42502465983509735
Energy: 0.42830038923237385
Energy: 0.430314963117165
Energy: 0.43288387845774334
Energy: 0.4402912181062097
Energy: 0.4361306099721846
Energy: 0.42691291888989485
Energy: 0.4571326370810045
Energy: 0.4254974039019086
Energy: 0.5063487712299123
Energy: 0.41828805185627504
Energy: 0.4079643710918713
Energy: 0.506108770900541
Energy: 0.4137404239694032
Energy: 0.42143370025982096
Energy: 0.4630694883796819
Energy: 0.4263943916692213
Energy: 0.4252908770349785
Energy: 0.4627015669029911
Energy: 0.4333836721685105
Energy: 0.42727168153566825
Energy: 0.4338563085058077
Energy: 0.42951506156466873
Energy: 0.4296120016013169
Energy: 0.4238899991245257
Energy: 0.435654884495579
Energy: 0.4349560787193044
Energy: 0.4384593523242834
Energy: 0.42291275406125833
Energy: 0.42095783970252676
Energy: 0.4258926975013766
Energy: 0.4153630451379599
Energy: 0.42523283567229947
Energy: 0.45671151681500616
Energy: 0.42545264079720274
Energy: 0.4280563659138579
Energy: 0.43178865070451844
Energy: 0.42425134254274877
Energy: 0.43213294639165556
Energy: 0.4574908543843658
Energy: 0.4282581618530783
Energy: 0.42507341937574855
Energy: 0.42973100349242305
Energy: 0.4247993871463255
Energy: 0.43917171919326975
Energy: 0.42936142365136204
Energy: 0.451644431245732
Energy: 0.44587308365613293
Energy: 0.41125123142477304
Energy: 0.4699470085782397
Energy: 0.4288556523042728
Energy: 0.46287455524633103
Energy: 0.42970895080260096
Energy: 0.4304409212710691
Energy: 0.4374953198389787
Energy: 0.42069461622482185
Energy: 0.43419539208128133
Energy: 0.45689642954748727
Energy: 0.4284473752280434
Energy: 0.4265369606171455
Energy: 0.42917399836579756
Energy: 0.4266544043360877
Energy: 0.4361801417564231
Energy: 0.4507180733661459
Energy: 0.42557843766132875
Energy: 0.42501017332588903
Energy: 0.45015096694702017
Energy: 0.425914721409851
Energy: 0.4286190919994498
Energy: 0.4364576945777048
Energy: 0.43006655875505995
Energy: 0.4277567631051903
Energy: 0.43625165307138175
Energy: 0.4300287547504535
Energy: 0.43719466276642116
Energy: 0.4399205574770933
Energy: 0.4282083422848055
Energy: 0.4298962901151455
Energy: 0.44040752927549914
Energy: 0.4294665184247392
Energy: 0.42474465677114187
Energy: 0.43225317493363036
Energy: 0.4270715672446677
Energy: 0.42289378888674595
Energy: 0.43379276649595433
Energy: 0.42598893924550724
Energy: 0.4387860375208457
Energy: 0.44831159515047647
Energy: 0.4346546478487975
Energy: 0.43166753855334744
Energy: 0.44608236678742125
Energy: 0.43380999340329135
Energy: 0.4425680956264676
Energy: 0.43097150893339753
Energy: 0.4284576966907003
Energy: 0.4309398485899763
Energy: 0.4270480195606101
Energy: 0.4297093305021655
Energy: 0.4246366246458871
Energy: 0.42525436705137154
Energy: 0.43200953047048374
Energy: 0.4312190660885479
Energy: 0.4252825479529272
Energy: 0.4319876475651394
Energy: 0.42567697610628374
Energy: 0.433332979112883
Energy: 0.4149089397359514
Energy: 0.410852643892214
Energy: 0.41452313105761696
Energy: 0.41264655442035464
Energy: 0.421368461336915
Energy: 0.45798549902320357
Energy: 0.410939947042226
Energy: 0.41230079966976313
Energy: 0.4338427306550563
Energy: 0.41035919840992835
Energy: 0.4403472999827108
Energy: 0.433117485528761
Energy: 0.4263736525481249
Energy: 0.4222679989292479
Energy: 0.4241851357799926
Energy: 0.42650982249128006
Energy: 0.43120225711958987
Energy: 0.4352846287918528
Energy: 0.4310448940566513
Energy: 0.43087836352945486
Energy: 0.42510748401348974
Energy: 0.41472899642964106
Energy: 0.4414474254733898
Energy: 0.45838450728591135
Energy: 0.4297269826939301
Energy: 0.43212204771915025
Energy: 0.43445910920553166
Energy: 0.4246594467918976
Energy: 0.4365783631240485
Energy: 0.4573503977630809
Energy: 0.4254620182869542
Energy: 0.42495291454816897
Energy: 0.429042889867515
Energy: 0.42691422377783284
Energy: 0.4256255227370074
Energy: 0.43091806094214286
Energy: 0.42477099778779265
Energy: 0.41372345041447817
Energy: 0.4115520145907669
Energy: 0.4248910541534283
Energy: 0.4167550522800761

minimum gb energy = 0.4079643710918713 eV
minimum distance =  2.64527071872836 Angstroms
sigma value = 33


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

Energy: 0.012423751206702546
Energy: 28.38380640688909
Energy: 0.0127868519524943
Energy: 0.013773118310411395
Energy: 0.42564642375940526
Energy: 0.012779399821441466
Energy: 0.22967283814652523
Energy: 0.057280538327890415
Energy: 0.05653350437774444
Energy: 0.056283187738547034
Energy: 0.05759679881947146
Energy: 0.05634750012205438
Energy: 0.5983780939710823
Energy: 0.4262879478607764
Energy: 0.4248411043281691
Energy: 0.4257968735557363
Energy: 0.4275736358107456
Energy: 0.42427750699283706
Energy: 0.014102574835646637
Energy: 0.05728053832722934
Energy: 0.056533504378084416
Energy: 0.05628318773888701
Energy: 0.05759679881947146
Energy: 0.05634750012205438

minimum gb energy = 0.012423751206702546 eV
minimum distance =  2.88142183511568 Angstroms
sigma value = 1