Model name: model_name=EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049763545393944
cohesive_energy=3.3185781967567785
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=[5.898509408669039e-20, 1.198269506745234e-19, 1.86350766477174e-19, 2.5415167727478596e-19, 3.1908469189753797e-19, 3.7609814741842796e-19, 4.19627684387574e-19, 4.48383550614606e-19, 4.65284911926672e-19, 4.7357136947772e-19, 4.77418195575954e-19, 4.815069503459219e-19, 4.88160789906924e-19, 4.958512377501239e-19, 5.03745162025842e-19, 5.109181068162599e-19, 5.1638954002137e-19, 5.205696188594759e-19, 5.2421617287846e-19, 5.2700235804498595e-19, 5.290980050822579e-19, 5.305319531696879e-19, 5.31376300255806e-19, 5.31653476813488e-19, 5.313522676062959e-19, 5.30373337682922e-19, 5.286109433855219e-19, 5.259144801105e-19, 5.221061062514819e-19, 5.169775388460479e-19, 5.10334914521484e-19, 5.017536564697799e-19, 4.90910125010868e-19, 4.773284736844499e-19, 4.604271123723839e-19, 4.3947064199966395e-19, 4.1352980011856996e-19, 3.81779465762592e-19, 3.42053496122562e-19, 2.9265358396644e-19, 2.3094254655466196e-19, 1.5342539577782038e-19, 5.52001120065288e-20, -7.04139006700026e-20, -2.3268891908572194e-19, -4.45903381185174e-19, -7.30449951383574e-19, -1.1186861889811859e-18, -1.66200190951356e-18, -2.4479656790885997e-18, -3.63320788762278e-18, -5.52324759745356e-18, -8.774993250287278e-18, -1.502516440835298e-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: 0.010197891524124732
Energy: 0.0107365639412478
Energy: 0.010596458641557876
Energy: 0.011630776572545767
Energy: 0.20490287746930955
Energy: 0.010438970844284455
Energy: 0.010736563940748024
Energy: 0.0517027979590895
Energy: 0.05151675478780456
Energy: 0.05158041546133539
Energy: 0.05157748663369963
Energy: 0.05148537458273365
Energy: 0.010596458641085865
Energy: 0.05151675478927613
Energy: 0.05174594794761449
Energy: 0.010518305974625369
Energy: 0.051410844134141355
Energy: 0.05173540287964428
Energy: 0.011630776572323642
Energy: 0.051580415461085515
Energy: 0.010518305974375482
Energy: 0.010388458851080268
Energy: 0.05156034498573777
Energy: 0.010463945658076203
Energy: 0.20490287746930955
Energy: 0.05157748663369963
Energy: 0.05141084413439125
Energy: 0.05156034498743146
Energy: 0.0515520019596667
Energy: 0.05154766501305446
Energy: 0.010438970844284455
Energy: 0.05148537458273365
Energy: 0.05173540287964428
Energy: 0.010463945658076203
Energy: 0.05154766501330435
Energy: 0.010545548584069045

minimum gb energy = 0.010197891524124732 eV
minimum distance =  2.85813218601543 Angstroms
sigma value = 1


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

Energy: 0.5791921026839798
Energy: 0.38350355106402007
Energy: 0.3832231769101485
Energy: 0.3494693735746717
Energy: 0.5494915598769042
Energy: 0.3840227870686685
Energy: 0.5503815030236275
Energy: 0.36068254261545435
Energy: 0.36246420165558835
Energy: 0.3466466323673733
Energy: 0.3643510828649532
Energy: 0.3601645152379902
Energy: 0.5265775681079878
Energy: 0.3635037674571899
Energy: 0.3596776901435179
Energy: 0.36013052274710866
Energy: 0.358563821158401
Energy: 0.3605643396850937
Energy: 0.5828677743118181
Energy: 0.35879768092950914
Energy: 0.36687935324055954
Energy: 0.36551998336772035
Energy: 0.36332208202902055
Energy: 0.3611719416787364
Energy: 0.5365520099281536
Energy: 0.3628551083046585
Energy: 0.36163801454253613
Energy: 0.35453921387395615
Energy: 0.3592692900778017
Energy: 0.36049701336946416
Energy: 0.5250331215607605
Energy: 0.37426568499415247
Energy: 0.37163054226297426
Energy: 0.3633967123632833
Energy: 0.3632967722926588
Energy: 0.36444594648488166
Energy: 0.5260573143968031
Energy: 0.3398715848547032
Energy: 0.3658415235964197
Energy: 0.35962681453530443
Energy: 0.365241341702947
Energy: 0.3658674169911894
Energy: 0.5084894507862473
Energy: 0.36071758909483564
Energy: 0.37206552682320543
Energy: 0.34154212854883986
Energy: 0.36052936301018496
Energy: 0.3443198294206024
Energy: 0.4302619114008225
Energy: 0.3586619274890577
Energy: 0.35908723401520604
Energy: 0.36305307488673555
Energy: 0.3632233377531023
Energy: 0.362611194943076
Energy: 0.42794636953400883
Energy: 0.3551418357911666
Energy: 0.3613360769231341
Energy: 0.3389224720916868
Energy: 0.35515770698755905
Energy: 0.3617278952633646
Energy: 0.42591864083752373
Energy: 0.3542368334113923
Energy: 0.35458780746445157
Energy: 0.3820721414014301
Energy: 0.35327888171842275
Energy: 0.36086984776461056
Energy: 0.38901630374970286
Energy: 0.3632696195602383
Energy: 0.3600878367046299
Energy: 0.3666871606103849
Energy: 0.35952076391195226
Energy: 0.3601541943186627
Energy: 0.38519893350623796
Energy: 0.3560805136355551
Energy: 0.35593939939260205
Energy: 0.36463888770327435
Energy: 0.3611357036870721
Energy: 0.3628563723999529
Energy: 0.4146836566653503
Energy: 0.3641198378301058
Energy: 0.35848346398400444
Energy: 0.3928875817670876
Energy: 0.36442135358439093
Energy: 0.3588967475860363
Energy: 0.40148000090395286
Energy: 0.35467548678592703
Energy: 0.3603311582639603
Energy: 0.3628610875306873
Energy: 0.35618825922876324
Energy: 0.3619894263305428
Energy: 0.40035851798711947
Energy: 0.3381751870732465
Energy: 0.3614140256081198
Energy: 0.36503879496917596
Energy: 0.36287027505713393
Energy: 0.3613240199892855
Energy: 0.4912655016178297
Energy: 0.35875242716503886
Energy: 0.36232657030385473
Energy: 0.35892217543640986
Energy: 0.358163666185368
Energy: 0.3574326660687897
Energy: 0.47627310925768535
Energy: 0.3597932067762164
Energy: 0.36846316036870996
Energy: 0.3646086557693058
Energy: 0.3374769689985282
Energy: 0.3692249211220686
Energy: 0.47715768686307436
Energy: 0.3710060404083393
Energy: 0.3697555785736482
Energy: 0.35957446539240473
Energy: 0.3644325657829643
Energy: 0.3693588960533391
Energy: 0.5058445896888095
Energy: 0.3704197425725922
Energy: 0.3693108344930722
Energy: 0.35906832321516247
Energy: 0.36098861878922534
Energy: 0.3693974861315303
Energy: 0.5505783393759461
Energy: 0.357072338398942
Energy: 0.3589398469602555
Energy: 0.3553406936748274
Energy: 0.3577457093173985
Energy: 0.3579315773846609
Energy: 0.5500525828752448
Energy: 0.3729504551753222
Energy: 0.3621131232183116
Energy: 0.3664458447396615
Energy: 0.3726979175810049
Energy: 0.36233114631762464
Energy: 0.550857005352415
Energy: 0.36069323299918926
Energy: 0.362381689077123
Energy: 0.35314777259533686
Energy: 0.36365646416253045
Energy: 0.3612535193951645

minimum gb energy = 0.3374769689985282 eV
minimum distance =  2.67475928746112 Angstroms
sigma value = 33


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

Energy: 0.6839884075630119
Energy: 0.4261749377022343
Energy: 0.38167422491395997
Energy: 0.3818343120191281
Energy: 0.49802954453471127
Energy: 0.42604976019551116
Energy: 0.49038708120406743
Energy: 0.38545865314633326
Energy: 0.3691863900187197
Energy: 0.3750321325173678
Energy: 0.38689105232274495
Energy: 0.36737654180643964
Energy: 0.5232031361344358
Energy: 0.36831554166300057
Energy: 0.3830882922248438
Energy: 0.39171473440050036
Energy: 0.3913502062830108
Energy: 0.38306657522320803
Energy: 0.5593422744437976
Energy: 0.43935067990975807
Energy: 0.37353816361120495
Energy: 0.3976572163355493
Energy: 0.3910027117559974
Energy: 0.39707173769595083
Energy: 0.5336484613231945
Energy: 0.3844108853932229
Energy: 0.36928759880514356
Energy: 0.3735235318678566
Energy: 0.3867060160081894
Energy: 0.37546976256554193
Energy: 0.573523087845151
Energy: 0.4463155505956031
Energy: 0.37084284371300064
Energy: 0.36703981437318045
Energy: 0.4456179703929725
Energy: 0.43933776776311295
Energy: 0.5726352180833792
Energy: 0.4319383086945328
Energy: 0.43646359140678537
Energy: 0.43444525633888426
Energy: 0.43505497054854303
Energy: 0.43473882636215955
Energy: 0.5350853613197426
Energy: 0.4078983367857307
Energy: 0.4101426235968445
Energy: 0.36666861219401486
Energy: 0.40796572484771426
Energy: 0.40890944826873066
Energy: 0.47694581963665095
Energy: 0.4028154565790987
Energy: 0.4377639793651651
Energy: 0.4431892816095598
Energy: 0.3999220949994295
Energy: 0.4371526974359594
Energy: 0.4760187548417835
Energy: 0.4359696271788784
Energy: 0.43452700912550196
Energy: 0.43126907060094727
Energy: 0.4338195876095714
Energy: 0.4347586894952675
Energy: 0.48078621797725585
Energy: 0.36824757375446066
Energy: 0.36809749724241114
Energy: 0.3828844687395654
Energy: 0.36838323495683
Energy: 0.36813837328913546
Energy: 0.4448706582152897
Energy: 0.37879376491118044
Energy: 0.4264981994703076
Energy: 0.44484498845743403
Energy: 0.3787643124132019
Energy: 0.4221801185491159
Energy: 0.4428206734715156
Energy: 0.4314452224043536
Energy: 0.43558460877161176
Energy: 0.44280869217827995
Energy: 0.43525628533131494
Energy: 0.4358716033262666
Energy: 0.4347088958380565
Energy: 0.3967273202981901
Energy: 0.396977406369958
Energy: 0.3847464363424787
Energy: 0.40386968416052926
Energy: 0.39689044213813274
Energy: 0.4727691817705369
Energy: 0.4359689884626208
Energy: 0.43905199365224656
Energy: 0.4464740097638463
Energy: 0.4290815394785842
Energy: 0.44017825083590467
Energy: 0.46863552194509894
Energy: 0.4335131901913769
Energy: 0.4362382669311874
Energy: 0.4448508639610009
Energy: 0.4402719458012516
Energy: 0.43843669841980976
Energy: 0.510164093865413
Energy: 0.36850119445451923
Energy: 0.3670349071570158
Energy: 0.44319245206719193
Energy: 0.35824873127635304
Energy: 0.3767961866963245
Energy: 0.4948536972249689
Energy: 0.3826345822881496
Energy: 0.44216716956557833
Energy: 0.40793187215625365
Energy: 0.4282712404627603
Energy: 0.4089342229208396
Energy: 0.49686618863051063
Energy: 0.3866349382443925
Energy: 0.3829568481111062
Energy: 0.4014740100734512
Energy: 0.3833411558782477
Energy: 0.3821390222839253
Energy: 0.5185389236640113
Energy: 0.3834762022359263
Energy: 0.3788413113347365
Energy: 0.43249216710895605
Energy: 0.39095658169279585
Energy: 0.37761793893282997
Energy: 0.5916516089594883
Energy: 0.37925921489226183
Energy: 0.40137295490354485
Energy: 0.38529920365518244
Energy: 0.3779225305881709
Energy: 0.3679529544785159
Energy: 0.4550399781552571
Energy: 0.37593414536785336
Energy: 0.36941019834852984
Energy: 0.40722862512689306
Energy: 0.38671158076307943
Energy: 0.36755725557109875
Energy: 0.5098790370945184
Energy: 0.3774650817028077
Energy: 0.36851748752242697
Energy: 0.4493759682641993
Energy: 0.38133016113358714
Energy: 0.3823153598124831
Energy: 0.5809963704471941
Energy: 0.3914270349728089
Energy: 0.3672122242632716
Energy: 0.39693030278456826
Energy: 0.38448153901507276
Energy: 0.4076032957821115
Energy: 0.5100735058528213
Energy: 0.37266477378806495
Energy: 0.3689271158086716
Energy: 0.37446767722979185
Energy: 0.3897377967491073
Energy: 0.3893877199654693
Energy: 0.5104215066918368
Energy: 0.3714769417216405
Energy: 0.4393239501417687
Energy: 0.44264556102406816
Energy: 0.44619705819784117
Energy: 0.3638079971324956
Energy: 0.571717531480098
Energy: 0.4268093728785437
Energy: 0.42590727680160906
Energy: 0.43801587997102254
Energy: 0.4300098086740738
Energy: 0.42704443779186724
Energy: 0.4818306939737717
Energy: 0.40743016987873054
Energy: 0.4086542737189143
Energy: 0.363697612207679
Energy: 0.4038727095828385
Energy: 0.37620469794653816
Energy: 0.4762097159983922
Energy: 0.4078349605085752
Energy: 0.409214325826465
Energy: 0.44297622994330893
Energy: 0.4074902412787507
Energy: 0.4388762588371428
Energy: 0.4778000470700977
Energy: 0.4351360740184174
Energy: 0.43454698240820583
Energy: 0.44180694062659126
Energy: 0.42917446657266
Energy: 0.43380231880003434
Energy: 0.5131012927059921
Energy: 0.36904523409766593
Energy: 0.36785358704911353
Energy: 0.4368865842730051
Energy: 0.3683452734283142
Energy: 0.36763187545147175
Energy: 0.4441065894940293
Energy: 0.3623058819419521
Energy: 0.35736934499655304
Energy: 0.4438735738566378
Energy: 0.3789259416328053
Energy: 0.4221295989431811
Energy: 0.4429546181447801
Energy: 0.43278895666194955
Energy: 0.4355222209199977
Energy: 0.44360235058270014
Energy: 0.42854371608256314
Energy: 0.4364855587994749
Energy: 0.44750881052242814
Energy: 0.39680154560762165
Energy: 0.396651596802974
Energy: 0.44784825357685193
Energy: 0.39679008772395796
Energy: 0.3989234352582691
Energy: 0.46909273753041514
Energy: 0.4339965813588816
Energy: 0.4394238771261243
Energy: 0.4358583905410863
Energy: 0.43685787040865787
Energy: 0.43932945634816173
Energy: 0.46703978505764254
Energy: 0.43907754335322075
Energy: 0.43714507335555397
Energy: 0.4460420841960157
Energy: 0.4446808731747319
Energy: 0.432992346805192
Energy: 0.46847538229018004
Energy: 0.36998956788427384
Energy: 0.3804670873791374
Energy: 0.37520828478178797
Energy: 0.37716749078011846
Energy: 0.3867856314044113
Energy: 0.4907093297875608
Energy: 0.44074482079922955
Energy: 0.3816514105463916
Energy: 0.39981947744634566
Energy: 0.38270937202272687
Energy: 0.377334518558503
Energy: 0.49394683189883354
Energy: 0.3816754021129982
Energy: 0.3826959437692947
Energy: 0.40808859460223085
Energy: 0.3709846225969043
Energy: 0.4088149962237595
Energy: 0.5333635067807763
Energy: 0.3838754753871845
Energy: 0.3793058997664103
Energy: 0.3742735913334527
Energy: 0.380323691676603
Energy: 0.37894669747900417
Energy: 0.6342505126971075
Energy: 0.3756647651670019
Energy: 0.36811133847850186
Energy: 0.3568193773481122
Energy: 0.3759392565047804
Energy: 0.3843914373415028

minimum gb energy = 0.3568193773481122 eV
minimum distance =  2.59405062389726 Angstroms
sigma value = 51


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

Energy: 0.5981384410727505
Energy: 0.3793114283270076
Energy: 0.37775705379907243
Energy: 0.3708182403603781
Energy: 0.5850025679495462
Energy: 0.4080085594305568
Energy: 0.4903236890067932
Energy: 0.38161423350198276
Energy: 0.36709317019106646
Energy: 0.35496662968603176
Energy: 0.39637626032265133
Energy: 0.3602295924683065
Energy: 0.543821478779998
Energy: 0.3815320806641005
Energy: 0.37636575562259345
Energy: 0.38083684462520384
Energy: 0.3970671770734056
Energy: 0.38144347469251183
Energy: 0.5388734073431016
Energy: 0.3784137467829688
Energy: 0.37820003808149294
Energy: 0.35327070592623017
Energy: 0.37641787358287476
Energy: 0.373733960617621
Energy: 0.46410546713784645
Energy: 0.3545209299819832
Energy: 0.3550389164779934
Energy: 0.3560670487500961
Energy: 0.39787429506572
Energy: 0.355981773592048
Energy: 0.4619836214800151
Energy: 0.3917741450657085
Energy: 0.39109725102533843
Energy: 0.39070813605032806
Energy: 0.3614679930691598
Energy: 0.3910551094577358
Energy: 0.46188280832640255
Energy: 0.35484188822476803
Energy: 0.35569187675522684
Energy: 0.3870895593462156
Energy: 0.355033161195942
Energy: 0.3554904408815854
Energy: 0.4604998312296196
Energy: 0.3446513294619544
Energy: 0.34545021598149567
Energy: 0.3771829883378744
Energy: 0.3447093768934402
Energy: 0.36775935890280764
Energy: 0.39634868216238883
Energy: 0.3838637571094698
Energy: 0.38796986888261065
Energy: 0.3969036893050364
Energy: 0.36725967618755884
Energy: 0.38237706109655745
Energy: 0.3972026417247275
Energy: 0.3688155656625947
Energy: 0.37243768923765047
Energy: 0.39581926336979567
Energy: 0.3693427458316389
Energy: 0.3766886551561322
Energy: 0.4007698583282836
Energy: 0.3597422168132819
Energy: 0.3773130975876085
Energy: 0.37091680213881545
Energy: 0.36889625856521935
Energy: 0.37779767314791785
Energy: 0.4139239925185571
Energy: 0.36948502121424925
Energy: 0.3702325192083721
Energy: 0.38746077112748106
Energy: 0.37240473912074706
Energy: 0.37675217550802526
Energy: 0.41342027203612447
Energy: 0.386216322879182
Energy: 0.38541533735713573
Energy: 0.39723574407910545
Energy: 0.37764590704055395
Energy: 0.3922538066382706
Energy: 0.4139899187696816
Energy: 0.36425705301728345
Energy: 0.36468830788719064
Energy: 0.3818143441254487
Energy: 0.3538988635426411
Energy: 0.3774904686106916
Energy: 0.4900841568151465
Energy: 0.380135766482251
Energy: 0.37886665140132225
Energy: 0.3621819341791982
Energy: 0.3787156203937486
Energy: 0.3788744741739619
Energy: 0.4925522011613449
Energy: 0.3960262898186882
Energy: 0.37582635145890825
Energy: 0.36087687307391736
Energy: 0.39537678120311914
Energy: 0.36239897634788243
Energy: 0.5001429223809216
Energy: 0.39828760451946427
Energy: 0.385878877319809
Energy: 0.35460929962724913
Energy: 0.3973119395779914
Energy: 0.3750481274429813
Energy: 0.5856911232484525
Energy: 0.35649135394278536
Energy: 0.3760588387527256
Energy: 0.34360301466300314
Energy: 0.3765170100162126
Energy: 0.36478199635408703

minimum gb energy = 0.34360301466300314 eV
minimum distance =  2.68857673136455 Angstroms
sigma value = 19


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

Energy: 0.5033271123280666
Energy: 0.3809245588212653
Energy: 0.4050904900638784
Energy: 0.4057652465969479
Energy: 0.37511447797326336
Energy: 0.4076290929414854
Energy: 0.5064899120954403
Energy: 0.37291162713985626
Energy: 0.3728049491753419
Energy: 0.38637522457582674
Energy: 0.37277752765912836
Energy: 0.3729441112881398
Energy: 0.4360417852391268
Energy: 0.37303036249290056
Energy: 0.37285451139928877
Energy: 0.38801455069611945
Energy: 0.3731430046524803
Energy: 0.3729028705472371
Energy: 0.4343784800704183
Energy: 0.3729247784470677
Energy: 0.3729638870245948
Energy: 0.38274473777214224
Energy: 0.37276615582255584
Energy: 0.3734066057553972
Energy: 0.41731170497184483
Energy: 0.37279951312900533
Energy: 0.3864489548565572
Energy: 0.38707090307606107
Energy: 0.37342984228774995
Energy: 0.38629950534664137
Energy: 0.4383804132617865
Energy: 0.3625798394126679
Energy: 0.3859257256294319
Energy: 0.3886093512667353
Energy: 0.3624546222653244
Energy: 0.38790419768203865
Energy: 0.43700290927483604
Energy: 0.38682965890434895
Energy: 0.3862520966035423
Energy: 0.38806652789607876
Energy: 0.36678964797395214
Energy: 0.3869287329447206
Energy: 0.41798602753791464
Energy: 0.36393709914927286
Energy: 0.3625153724195344
Energy: 0.37327543240323574
Energy: 0.3641637583878143
Energy: 0.365255060708764
Energy: 0.37284052654378946
Energy: 0.36275465110347166
Energy: 0.36360893553711005
Energy: 0.3728814760861159
Energy: 0.36315576139683337
Energy: 0.3639012984107699
Energy: 0.3733194357932035
Energy: 0.3746308793617307
Energy: 0.37333383143322274
Energy: 0.3727762243974563
Energy: 0.3872687071066413
Energy: 0.37294423382201214
Energy: 0.37264274199711483
Energy: 0.39048958064786476
Energy: 0.3909097000573969
Energy: 0.3725097439496651
Energy: 0.39099066325917375
Energy: 0.3727116200246223
Energy: 0.43615533661345385
Energy: 0.38772279160945594
Energy: 0.3858856093491564
Energy: 0.3728697955786712
Energy: 0.3892190474111968
Energy: 0.3731707530351704
Energy: 0.36222242354226863
Energy: 0.3872171945241847
Energy: 0.3869151161453294
Energy: 0.36401807383113544
Energy: 0.38774257859379263
Energy: 0.39402429279372936
Energy: 0.4369463360028608
Energy: 0.38734932745774897
Energy: 0.38719363006218355
Energy: 0.3730713571997309
Energy: 0.3876410471652851
Energy: 0.3871503219040783
Energy: 0.5055754366851813
Energy: 0.37292483498213835
Energy: 0.3731007313169003
Energy: 0.36324388321718293
Energy: 0.37279455585650445
Energy: 0.3639742767779435
Energy: 0.507206565240016
Energy: 0.39124399040919705
Energy: 0.3672270444827741
Energy: 0.3624718303555794
Energy: 0.37319178977202977
Energy: 0.36248412544153014
Energy: 0.4362120736248994
Energy: 0.3727001323965199
Energy: 0.3728230975585783
Energy: 0.3864084301263072
Energy: 0.3729679701800829
Energy: 0.3730871330430596
Energy: 0.4326295166270961
Energy: 0.372808037067912
Energy: 0.3730360453093352
Energy: 0.3825294522981476
Energy: 0.37283082027247205
Energy: 0.3729244169876187
Energy: 0.4325125445118359
Energy: 0.37302931849946447
Energy: 0.3729013769250311
Energy: 0.3820100831206344
Energy: 0.37303552754368563
Energy: 0.37297555017960743
Energy: 0.43657176759308103
Energy: 0.3624149830057045
Energy: 0.38659560950835437
Energy: 0.3864729711042153
Energy: 0.3624216942736476
Energy: 0.3855927638419076
Energy: 0.4346750843562693
Energy: 0.38662105161548566
Energy: 0.38701587147761674
Energy: 0.3884975051178551
Energy: 0.3728239823209259
Energy: 0.3869835855000838
Energy: 0.43660778795843685
Energy: 0.36695751477440003
Energy: 0.38644366877171576
Energy: 0.37379728846129523
Energy: 0.366687323749653
Energy: 0.3858964302582914
Energy: 0.4189207646491848
Energy: 0.36275716639957684
Energy: 0.365232962047471
Energy: 0.41989997839171167
Energy: 0.40460766104543805
Energy: 0.4057456848345076
Energy: 0.3728483195429861
Energy: 0.3866928950679706
Energy: 0.37350927001172657
Energy: 0.37286632309963735
Energy: 0.3815607116091291
Energy: 0.3729125321992517
Energy: 0.3729476090501351
Energy: 0.38638941134807897
Energy: 0.37313723127293147
Energy: 0.3730808522348798
Energy: 0.3881014990621277
Energy: 0.3729959809307337
Energy: 0.41883404037844246
Energy: 0.3830273310575942
Energy: 0.3834325740467912
Energy: 0.3769593033065525
Energy: 0.38250848734078563
Energy: 0.3734309218776337
Energy: 0.4364939123153535
Energy: 0.3867013732609438
Energy: 0.3868341675477933
Energy: 0.3735330229673734
Energy: 0.3873954841250224
Energy: 0.3868509383518156
Energy: 0.36245451701619347
Energy: 0.3879032402922978
Energy: 0.38732312162705024
Energy: 0.36250244947248117
Energy: 0.38857254120112356
Energy: 0.38565906034843817
Energy: 0.4193421158680164
Energy: 0.3888318158471537
Energy: 0.38804479750708915
Energy: 0.36708314130280045
Energy: 0.3879573976722041
Energy: 0.3864928325743694
Energy: 0.5092665532694676
Energy: 0.37360877513227664
Energy: 0.36409744869882327
Energy: 0.36403519443124116
Energy: 0.37338949259044185
Energy: 0.36237146724135233

minimum gb energy = 0.36222242354226863 eV
minimum distance =  2.7060147087201 Angstroms
sigma value = 27


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

Energy: 0.43373936734097435
Energy: 0.38820313374126314
Energy: 0.38907953797497097
Energy: 0.3590385322528039
Energy: 0.37306645310699965
Energy: 0.4378204430644975
Energy: 0.3883198451785218
Energy: 0.3727053250731136
Energy: 0.3210860097693559
Energy: 0.33970672531541707
Energy: 0.37200742353251576
Energy: 0.3212769799623242
Energy: 0.39437451040575683
Energy: 0.37367156328112733
Energy: 0.34479692295782693
Energy: 0.321271839561637
Energy: 0.3718555383830737
Energy: 0.3455341571942091
Energy: 0.35025935045068274
Energy: 0.32149218365632093
Energy: 0.3205534937084554
Energy: 0.3390217361283982
Energy: 0.34064632865396055
Energy: 0.32027553944746723
Energy: 0.43002110891169304
Energy: 0.32230759559744704
Energy: 0.3216651585848068
Energy: 0.34961851598787075
Energy: 0.34079524692419516
Energy: 0.32223303008714393
Energy: 0.3716051206448275
Energy: 0.34121780583862205
Energy: 0.3429444352413786
Energy: 0.3709188665118901
Energy: 0.3415063283787768
Energy: 0.3242672277760954
Energy: 0.3731857729681077
Energy: 0.33844069419645023
Energy: 0.33970347939205725
Energy: 0.3735776159143976
Energy: 0.3389174942644807
Energy: 0.34322231615273935
Energy: 0.3726581731984316
Energy: 0.3423517088009329
Energy: 0.3358832416447094
Energy: 0.3729589627615657
Energy: 0.33606647267939443
Energy: 0.336283711394759
Energy: 0.3933781934585736
Energy: 0.32090692650040764
Energy: 0.3390740045985178
Energy: 0.372422408553267
Energy: 0.3359330966992242
Energy: 0.32148370794013703
Energy: 0.3521828512420142
Energy: 0.33767314537167353
Energy: 0.337045611015085
Energy: 0.36211385574549104
Energy: 0.34115427065805864
Energy: 0.34276086490850627
Energy: 0.3937696429747676
Energy: 0.36087868248222876
Energy: 0.36140286963174745
Energy: 0.3433180755090177
Energy: 0.3610626689583006
Energy: 0.3644437404068715
Energy: 0.3883198451911916
Energy: 0.3429167203999536
Energy: 0.321248708411801
Energy: 0.33970483341006813
Energy: 0.3440155511127836
Energy: 0.3212155221058531

minimum gb energy = 0.32027553944746723 eV
minimum distance =  2.70669331250519 Angstroms
sigma value = 9


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

Energy: 0.6849652563697285
Energy: 0.31079563725561615
Energy: 0.3407616469508094
Energy: 0.31713703148050926
Energy: 0.341581260226944
Energy: 0.315446346336897
Energy: 0.3149158329062476
Energy: 0.30186551982639337
Energy: 0.30519646963897623
Energy: 0.3080369445652441
Energy: 0.3230223773813475
Energy: 0.3081436080430593
Energy: 0.3368005198603168
Energy: 0.31901884759373683
Energy: 0.3200927253942122
Energy: 0.31785492660699316
Energy: 0.3227264593706701
Energy: 0.31411336922666333
Energy: 0.3380472447418587
Energy: 0.29881198665661346
Energy: 0.2957427644292495
Energy: 0.31431605694219966
Energy: 0.3105986156461011
Energy: 0.29595707615987493
Energy: 0.35322211421436006
Energy: 0.3050510850665908
Energy: 0.2908862050589026
Energy: 0.31992184622463177
Energy: 0.3044554091973227
Energy: 0.3111901743057056
Energy: 0.3247308946940237
Energy: 0.31656315185138034
Energy: 0.3182696584811165
Energy: 0.3246430962793081
Energy: 0.3092786458658977
Energy: 0.31227189890801066
Energy: 0.3257539950731498
Energy: 0.2998621276616159
Energy: 0.2958324262435303
Energy: 0.32629774092773334
Energy: 0.297478985843587
Energy: 0.3116964772576393
Energy: 0.325109125192686
Energy: 0.30884960737486244
Energy: 0.3118780347466023
Energy: 0.3248545776607401
Energy: 0.31071402183198615
Energy: 0.3112869907495548
Energy: 0.3856899232370389
Energy: 0.309739024415598
Energy: 0.30734586799592817
Energy: 0.3199429971183287
Energy: 0.31587325972516983
Energy: 0.31314649391792837
Energy: 0.31462873057103186
Energy: 0.29915630221307776
Energy: 0.2959354484012506
Energy: 0.30829960994965167
Energy: 0.3038005250188703
Energy: 0.29439461534402744
Energy: 0.31182840762682434
Energy: 0.3237370045605863
Energy: 0.322985930568233
Energy: 0.3120857625130356
Energy: 0.3249559321204026
Energy: 0.3222132848491422
Energy: 0.45310199309232285
Energy: 0.3267873155932452
Energy: 0.3151216991772604
Energy: 0.3043530708453778
Energy: 0.3294671135998973
Energy: 0.2945295229931429
Energy: 0.6004702030739044
Energy: 0.36924707799735673
Energy: 0.29555908889584287
Energy: 0.2959144895894181
Energy: 0.31292809173375413
Energy: 0.3129663560003855
Energy: 0.3942632714534447
Energy: 0.3113748500448256
Energy: 0.3115474189560697
Energy: 0.30383033633940904
Energy: 0.32208785366788895
Energy: 0.31154716634316937
Energy: 0.32451613627322556
Energy: 0.31118671326569686
Energy: 0.3107473068812319
Energy: 0.32505063975482607
Energy: 0.3123617914827624
Energy: 0.3116530266985273
Energy: 0.32277170173072967
Energy: 0.3082218311149027
Energy: 0.3160248665196527
Energy: 0.3232892694779926
Energy: 0.31488908734059645
Energy: 0.3141773758789938
Energy: 0.3217831871469741
Energy: 0.2956871147381555
Energy: 0.29649120300447424
Energy: 0.32195368666030083
Energy: 0.30143791902820677
Energy: 0.30927381356194966
Energy: 0.35102653370622344
Energy: 0.2935028153071812
Energy: 0.31063930008451673
Energy: 0.32176144644636445
Energy: 0.3120156248194564
Energy: 0.2959799733345138
Energy: 0.33657606471524104
Energy: 0.30621106576998985
Energy: 0.3080817556511389
Energy: 0.32254712438455513
Energy: 0.30538529195244163
Energy: 0.30738403842253986
Energy: 0.33664103193226463
Energy: 0.31460397837099263
Energy: 0.30869648533522853
Energy: 0.3139752497669278
Energy: 0.31401566296953687
Energy: 0.31110207012038127
Energy: 0.3368548418417547
Energy: 0.3199308704080706
Energy: 0.30713311584747777
Energy: 0.3176839369778678
Energy: 0.3196636587445131
Energy: 0.31047710086293157
Energy: 0.3549788201310065
Energy: 0.30415502437824093
Energy: 0.3052725972135486
Energy: 0.3051862707173003
Energy: 0.32259791400871785
Energy: 0.31230865809714875
Energy: 0.35978168962160617
Energy: 0.3137344096186691
Energy: 0.303086522810334
Energy: 0.3052069656445881
Energy: 0.3219424102460144
Energy: 0.2956871587188051
Energy: 0.33672851275426346
Energy: 0.32438578775468485
Energy: 0.3104265626302051
Energy: 0.3194367158185569
Energy: 0.3227930234347167
Energy: 0.31203065061176144
Energy: 0.4382787305822314
Energy: 0.2982695635253284
Energy: 0.3108919531019711
Energy: 0.3109329438361571
Energy: 0.3110938304347575
Energy: 0.3123214426834101
Energy: 0.33754721364329293
Energy: 0.29683969073704336
Energy: 0.29491971485321816
Energy: 0.32217572811167366
Energy: 0.30435096592553124
Energy: 0.31113742642087916
Energy: 0.3054538281727804
Energy: 0.2959574077778776
Energy: 0.29983443802584664
Energy: 0.30564405784855647
Energy: 0.2957543502882164
Energy: 0.31103047191540306
Energy: 0.328837034705111
Energy: 0.29609491973840396
Energy: 0.29596178000850576
Energy: 0.32935306883768856
Energy: 0.30224483232193444
Energy: 0.29605645977370737
Energy: 0.32535841252914793
Energy: 0.2963726654148851
Energy: 0.31423126754768027
Energy: 0.32544638994411473
Energy: 0.3110943979693174
Energy: 0.3224298404439822
Energy: 0.3260043427546524
Energy: 0.31061039563273823
Energy: 0.31123016115113333
Energy: 0.3182535915644788
Energy: 0.31058467258189987
Energy: 0.29581250262164577
Energy: 0.3117182941491325
Energy: 0.29785292434183563
Energy: 0.31042398794499776
Energy: 0.3113490604250348
Energy: 0.3114234264776523
Energy: 0.32121259277115033
Energy: 0.31380142126710475
Energy: 0.3105269187741181
Energy: 0.31102682215777094
Energy: 0.30860836209577686
Energy: 0.3247880058362763
Energy: 0.2945582922530904
Energy: 0.39461588347403165
Energy: 0.32817230404562736
Energy: 0.32514763040586336
Energy: 0.31952685412020787
Energy: 0.3274627150982259
Energy: 0.29596144757366355
Energy: 0.3350070293864623
Energy: 0.3248753316001258
Energy: 0.31251340465273625
Energy: 0.31073520086181056
Energy: 0.3247713769892147
Energy: 0.2954546760654176
Energy: 0.3330341912097861
Energy: 0.30374446384781933
Energy: 0.30997006180336556
Energy: 0.3110950808870843
Energy: 0.3201582512263455
Energy: 0.3115020145534765
Energy: 0.3343204509098528
Energy: 0.3115515510357789
Energy: 0.3088857225613247
Energy: 0.3163744112263724
Energy: 0.31269726725343494
Energy: 0.29623225616733456
Energy: 0.32257440872718285
Energy: 0.31631375238135834
Energy: 0.3195965496374738
Energy: 0.3233393142442425
Energy: 0.3140449754753947
Energy: 0.3169485396778235
Energy: 0.32194906087286435
Energy: 0.308274228559347
Energy: 0.30865309291644627
Energy: 0.32193694727375793
Energy: 0.3079963100239748
Energy: 0.31086757273866195
Energy: 0.33580574604039887
Energy: 0.30058904743379844
Energy: 0.29651711186448226
Energy: 0.33578653025839034
Energy: 0.3154873309162187
Energy: 0.3211451548858351
Energy: 0.33721247542075466
Energy: 0.30856398855438794
Energy: 0.30923059109554646
Energy: 0.322051764772516
Energy: 0.30871386618631347
Energy: 0.3093980236667086
Energy: 0.33627987932194253
Energy: 0.3113036371890292
Energy: 0.31190251929967444
Energy: 0.313210341809176
Energy: 0.3042012013115849
Energy: 0.3110490947322331
Energy: 0.337035328336224
Energy: 0.31515184458953355
Energy: 0.3069510792453956
Energy: 0.3115170351642461
Energy: 0.3144608840553605
Energy: 0.3059080520664954
Energy: 0.35328858114834527
Energy: 0.30116114489179563
Energy: 0.31158712550793327
Energy: 0.30950036591620556
Energy: 0.3222053155871635
Energy: 0.2950603630733544

minimum gb energy = 0.2908862050589026 eV
minimum distance =  2.66523950136806 Angstroms
sigma value = 57


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

Energy: 0.26881141829959343
Energy: 0.2561879469468694
Energy: 0.15936521170865886
Energy: 0.15828319204210534
Energy: 0.2519467683105515
Energy: 0.26407184431358827
Energy: 0.26927309070612676
Energy: 0.26699051943472035
Energy: 0.2524799654999522
Energy: 0.2899286663882616
Energy: 0.29039452677333966
Energy: 0.2680684592636538
Energy: 0.35603161486756646
Energy: 0.35141292892385684
Energy: 0.2683784052035031
Energy: 0.26367716026222476
Energy: 0.2644562192545148
Energy: 0.3540910140648719
Energy: 0.3560155677780103
Energy: 0.3384920920579314
Energy: 0.3581161472421762
Energy: 0.338650653310268
Energy: 0.33628221597309305
Energy: 0.3351141668220728
Energy: 0.35526821900494165
Energy: 0.2139282814404122
Energy: 0.20624416463546968
Energy: 0.33369936532969985
Energy: 0.1587849489578726
Energy: 0.3343472672593668
Energy: 0.333646771948294
Energy: 0.2151711788001716
Energy: 0.2185619324807012
Energy: 0.33323259588869397
Energy: 0.16057994553329788
Energy: 0.16924006737072508
Energy: 0.3554787238458458
Energy: 0.33323165990226306
Energy: 0.3340364986816839
Energy: 0.33390390720858243
Energy: 0.3389437481086379
Energy: 0.33360844687998614
Energy: 0.3350765151354182
Energy: 0.3550499692687805
Energy: 0.35286534911204953
Energy: 0.33409528081874773
Energy: 0.3588124100088969
Energy: 0.3349852681729603
Energy: 0.3610209380063844
Energy: 0.36104254568886746
Energy: 0.35883643535579635
Energy: 0.369086804754973
Energy: 0.36549468042345656
Energy: 0.36100142783339334
Energy: 0.16069826040546795
Energy: 0.36527820284601076
Energy: 0.16520835546622892
Energy: 0.16088458589076396
Energy: 0.3658535387018697
Energy: 0.1712754092984873
Energy: 0.15842108686416118
Energy: 0.36678580302890207
Energy: 0.3667713986443448
Energy: 0.15846008853284915
Energy: 0.36323349550544376
Energy: 0.15948178790114365
Energy: 0.36752900009105266
Energy: 0.365975812988032
Energy: 0.3587153719228178
Energy: 0.3575582299016966
Energy: 0.361608234626095
Energy: 0.3557463639332077
Energy: 0.34017570533661295
Energy: 0.34320321729831127
Energy: 0.34005506024829013
Energy: 0.3591052181019381
Energy: 0.35363314006443786
Energy: 0.3671379901112743
Energy: 0.3418234717704185
Energy: 0.34620032162860254
Energy: 0.3319952986612233
Energy: 0.3351756141400534
Energy: 0.34461845455261547
Energy: 0.3320915795616211
Energy: 0.37111840902344206
Energy: 0.1614997698312905
Energy: 0.1647531909798234
Energy: 0.33934307716910084
Energy: 0.21345013262855111
Energy: 0.21736318203863245
Energy: 0.3422684251246864
Energy: 0.3344133973518775
Energy: 0.33304495178550697
Energy: 0.32678985548461004
Energy: 0.21415720822720544
Energy: 0.33650680702440533
Energy: 0.3433746109871413
Energy: 0.3315390633702488
Energy: 0.3328274665522966
Energy: 0.3433028840399707
Energy: 0.36041341921829295
Energy: 0.34758058760756155
Energy: 0.3561413592508193
Energy: 0.35458961072683953
Energy: 0.26785272314302105
Energy: 0.26415962716100194
Energy: 0.26452282643845715
Energy: 0.3556920340296657
Energy: 0.26941274459205394
Energy: 0.2660429371871517
Energy: 0.2518874608668225
Energy: 0.1584226282307889
Energy: 0.26518557437536666
Energy: 0.251812978862622

minimum gb energy = 0.15828319204210534 eV
minimum distance =  2.68433012075537 Angstroms
sigma value = 11


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

Energy: 0.5577158500041337
Energy: 0.25537287265003533
Energy: 0.30764278473636364
Energy: 0.2882677032645805
Energy: 0.303546217207217
Energy: 0.30466513759269287
Energy: 0.25567265895917735
Energy: 0.2502212085778221
Energy: 0.2512948242607915
Energy: 0.2474431765266073
Energy: 0.24776769518432873
Energy: 0.2524589221776266
Energy: 0.25065460847832044
Energy: 0.25382756894527353
Energy: 0.25458773211217206
Energy: 0.25020520223519416
Energy: 0.2535536337913433
Energy: 0.24883036541531872
Energy: 0.2502109272749049
Energy: 0.2572787334122457
Energy: 0.24653008263165796
Energy: 0.25003546786764275
Energy: 0.24846981874132087
Energy: 0.25328332655530167
Energy: 0.24826570659557212
Energy: 0.29900141730623375
Energy: 0.27621029791740337
Energy: 0.2551007256657485
Energy: 0.25892971387807695
Energy: 0.25059244005516795
Energy: 0.2678924254012394
Energy: 0.2526587550061191
Energy: 0.28003305756924307
Energy: 0.24781559323392977
Energy: 0.2531878970366898
Energy: 0.2484414841835259
Energy: 0.2660874304871963
Energy: 0.24989671373864375
Energy: 0.2525579120356489
Energy: 0.24776244054200483
Energy: 0.25373471304733874
Energy: 0.24933800970311243
Energy: 0.2529585571640861
Energy: 0.2592488757320133
Energy: 0.2575626152394425
Energy: 0.2622114534477354
Energy: 0.2582261992419725
Energy: 0.2575065046560106
Energy: 0.2658112730214305
Energy: 0.2511499744398234
Energy: 0.2466545527395893
Energy: 0.25705413535334715
Energy: 0.24781108760789045
Energy: 0.25236022848490214
Energy: 0.4652808205568139
Energy: 0.2715381729394401
Energy: 0.2717588246292001
Energy: 0.31460377991391325
Energy: 0.27174679355545
Energy: 0.2796102761914108
Energy: 0.2799680344555475
Energy: 0.2713547881959274
Energy: 0.2716121815689211
Energy: 0.2531784796324155
Energy: 0.27646088152521636
Energy: 0.27621824420506474
Energy: 0.3121091020812916
Energy: 0.24479225475425995
Energy: 0.2472380266836084
Energy: 0.25707663438786404
Energy: 0.24359958280356545
Energy: 0.2531810928827837
Energy: 0.302251322069497
Energy: 0.24600318062352206
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Energy: 0.25973348865602164
Energy: 0.24442051609430346
Energy: 0.2535359004871918
Energy: 0.3015419900305492
Energy: 0.29911939165233564
Energy: 0.2977773806094492
Energy: 0.25394109434676915
Energy: 0.301090118441253
Energy: 0.2976199748223552
Energy: 0.30186071868098074
Energy: 0.3062137024224275
Energy: 0.26802295081437644
Energy: 0.28522719889885384
Energy: 0.30814212541189157
Energy: 0.2503399329345285
Energy: 0.37550658768679795
Energy: 0.2988067462864116
Energy: 0.2979382489139715
Energy: 0.27691468182215506
Energy: 0.30123797482428294
Energy: 0.29803116933123697
Energy: 0.39684861210442735
Energy: 0.28040293628244595
Energy: 0.2596922899237487
Energy: 0.3460395249542636
Energy: 0.28930435589553877
Energy: 0.2612034255772374
Energy: 0.47873917356439477
Energy: 0.27244688613295664
Energy: 0.2980632695635909
Energy: 0.25996152319184296
Energy: 0.27691632837406843
Energy: 0.29837028264751514
Energy: 0.3792172822877942
Energy: 0.25099201644486385
Energy: 0.2529983897860179
Energy: 0.25420105717654157
Energy: 0.25459796527265044
Energy: 0.27878480243487785
Energy: 0.32897500949048797
Energy: 0.3079397983894919
Energy: 0.24877995008242557
Energy: 0.31573404988161374
Energy: 0.303310349133613
Energy: 0.2468973081749144
Energy: 0.37418624695044145
Energy: 0.2777198160264018
Energy: 0.2763434696625018
Energy: 0.27915993629237235
Energy: 0.29905706817591915
Energy: 0.2730705567939432
Energy: 0.354245055621791
Energy: 0.2618685968463149
Energy: 0.26530142977860466
Energy: 0.3831275471443277
Energy: 0.255871899906353
Energy: 0.238247204372651
Energy: 0.2478638799205768
Energy: 0.2785445299578612
Energy: 0.2766088379371298
Energy: 0.2518633669218802
Energy: 0.2769893975669633
Energy: 0.2736577266667318
Energy: 0.2557263427905031
Energy: 0.2520444998152221
Energy: 0.2474660671050891
Energy: 0.25616282986067396
Energy: 0.25103671227774427
Energy: 0.24878646106557134
Energy: 0.29275140084856927
Energy: 0.25025290204533646
Energy: 0.25714774971635274
Energy: 0.2511598736961299
Energy: 0.24950323758806126
Energy: 0.25301989604012
Energy: 0.2782358425399865
Energy: 0.24824026959460377
Energy: 0.24942575825788169
Energy: 0.24739013018054853
Energy: 0.24713199260009316
Energy: 0.24586599195545128

minimum gb energy = 0.238247204372651 eV
minimum distance =  2.68436513847247 Angstroms
sigma value = 41


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

Energy: 0.5308114179771183
Energy: 0.28615591547881136
Energy: 0.2651825129034575
Energy: 0.3063902740021199
Energy: 0.2806912638587638
Energy: 0.3083337470918594
Energy: 0.27228228380049274
Energy: 0.2616889338165533
Energy: 0.26084727391789886
Energy: 0.26287806343345294
Energy: 0.26165414903506967
Energy: 0.2613675228949876
Energy: 0.26196427824051083
Energy: 0.2602533924453595
Energy: 0.26096306212820997
Energy: 0.2616504289311078
Energy: 0.26181684106123543
Energy: 0.26098616610890235
Energy: 0.2620335742252596
Energy: 0.25988067461053627
Energy: 0.26123298629464586
Energy: 0.26276177416704755
Energy: 0.26253576307248805
Energy: 0.26135052599583497
Energy: 0.26094649472763626
Energy: 0.2623536904595721
Energy: 0.2686820776225969
Energy: 0.2693166916172808
Energy: 0.2660849467602621
Energy: 0.26406344656669284
Energy: 0.28888854052361973
Energy: 0.2634897417607753
Energy: 0.2663945886698087
Energy: 0.26903105348484274
Energy: 0.2639358515434227
Energy: 0.26639632132216057
Energy: 0.2889053663405508
Energy: 0.26213618267927313
Energy: 0.26174753451890037
Energy: 0.26228033310411974
Energy: 0.2632301776903496
Energy: 0.2623449118192885
Energy: 0.27110410689132886
Energy: 0.282845070350228
Energy: 0.28135412288096734
Energy: 0.250091872598061
Energy: 0.28431070140707165
Energy: 0.2645893139588723
Energy: 0.29031239780508605
Energy: 0.261868997267744
Energy: 0.2614066316135526
Energy: 0.2693927044759162
Energy: 0.2626088254290642
Energy: 0.26103063995883447
Energy: 0.37755997834704097
Energy: 0.2651178580782344
Energy: 0.2619093579703252
Energy: 0.3466671771555915
Energy: 0.26818236276460317
Energy: 0.26197257082692665
Energy: 0.3771661889963881
Energy: 0.2652349710327995
Energy: 0.2619708082083824
Energy: 0.2629006045709875
Energy: 0.26501891938443967
Energy: 0.26225248460813533
Energy: 0.29675668255793103
Energy: 0.2517204124138657
Energy: 0.25087991952927935
Energy: 0.2671405621595689
Energy: 0.25122591513269155
Energy: 0.26185901380564724
Energy: 0.26398570871423027
Energy: 0.2509642094209127
Energy: 0.25033226746447623
Energy: 0.2687073278497874
Energy: 0.251062159445131
Energy: 0.2506339244992836
Energy: 0.26417958312513373
Energy: 0.26377087390541476
Energy: 0.2613279906681203
Energy: 0.26316671440028905
Energy: 0.2636089584377629
Energy: 0.26140422138149905
Energy: 0.2854354055817817
Energy: 0.28117111880251094
Energy: 0.2819889483126788
Energy: 0.28541145557080994
Energy: 0.2628974150596885
Energy: 0.28263318131121057
Energy: 0.26184913520294234
Energy: 0.2613002061791028
Energy: 0.2620923999983169
Energy: 0.2634329255783903
Energy: 0.26257514324526116
Energy: 0.2622461437034845
Energy: 0.4823243583385823
Energy: 0.26166614252596926
Energy: 0.25394238440600087
Energy: 0.4176519944015482
Energy: 0.2698328034999868
Energy: 0.27079425287267245
Energy: 0.2719276448468822
Energy: 0.26339407994978653
Energy: 0.2627415151011638
Energy: 0.2629983790577882
Energy: 0.26310065192635246
Energy: 0.2512008719332877
Energy: 0.2624458763444516
Energy: 0.26284806989854537
Energy: 0.2619027163807499
Energy: 0.2631807051861369
Energy: 0.2631727566062763
Energy: 0.262113063776916
Energy: 0.2605294806484746
Energy: 0.26092909773195255
Energy: 0.26125395792736916
Energy: 0.26143762440067886
Energy: 0.26319053490037153
Energy: 0.2619750083663462
Energy: 0.26150155736150227
Energy: 0.2614432411214602
Energy: 0.261357068636352
Energy: 0.2620109999871851
Energy: 0.26188072774566734
Energy: 0.26092496939635057
Energy: 0.2709980385977001
Energy: 0.33206104191644625
Energy: 0.35057675227713847
Energy: 0.3116122503839786
Energy: 0.3318051623274957
Energy: 0.29792903718694635
Energy: 0.28958860851467133
Energy: 0.2611016051373947
Energy: 0.26185287590506673
Energy: 0.2695600924460853
Energy: 0.26205210785939836
Energy: 0.2617792109546526
Energy: 0.27169598634729203
Energy: 0.2847691809585487
Energy: 0.26260945770468286
Energy: 0.24992819018815432
Energy: 0.28570508659576244
Energy: 0.2516793955677456
Energy: 0.2892537542519732
Energy: 0.26207955581161535
Energy: 0.2612037585680872
Energy: 0.2694521030963996
Energy: 0.2620676231488687
Energy: 0.2617339856487878
Energy: 0.3766871571762308
Energy: 0.2652514335688967
Energy: 0.2653049024175384
Energy: 0.26330815789539214
Energy: 0.2660950378037004
Energy: 0.2617120692561207
Energy: 0.37710486011243866
Energy: 0.26535139020037474
Energy: 0.2617506427247749
Energy: 0.3471828019753687
Energy: 0.2667987726244733
Energy: 0.2620992924188432
Energy: 0.2904942177094236
Energy: 0.2514523133526505
Energy: 0.26519290701402637
Energy: 0.2707623464040183
Energy: 0.2663461840782983
Energy: 0.26719732334136875
Energy: 0.26422003135912736
Energy: 0.26923262491903976
Energy: 0.26955936872870817
Energy: 0.27068273427132655
Energy: 0.2686295039842117
Energy: 0.2694318422522808
Energy: 0.3112043129522518
Energy: 0.265926021370983
Energy: 0.26552189606582516
Energy: 0.26211435575496017
Energy: 0.2651954004384698
Energy: 0.2655412643942224
Energy: 0.2634349483376837
Energy: 0.2615252379921065
Energy: 0.2604589589293333
Energy: 0.2636351308866416
Energy: 0.2607878379579607
Energy: 0.2609316999462405
Energy: 0.26236172592012597
Energy: 0.2631572707150257
Energy: 0.2610299097957471
Energy: 0.26430291546148194
Energy: 0.2631781598041062
Energy: 0.26268180882640413
Energy: 0.4820410780018996
Energy: 0.2625982494294816
Energy: 0.2680060486651813
Energy: 0.3460275948327854
Energy: 0.2621789977118466
Energy: 0.2554238963336138

minimum gb energy = 0.24992819018815432 eV
minimum distance =  2.67562071230514 Angstroms
sigma value = 33


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

Energy: 0.40048783607285643
Energy: 0.3232364364693419
Energy: 0.32735743036680404
Energy: 0.31751504566284233
Energy: 0.3408675965885263
Energy: 0.2972183061791793
Energy: 0.3023066804701208
Energy: 0.29092766960736544
Energy: 0.2880082558659674
Energy: 0.2959287965168189
Energy: 0.2950396530250045
Energy: 0.2891424663258706
Energy: 0.2939850876295475
Energy: 0.28838402901578586
Energy: 0.28996571798471626
Energy: 0.2886000100163676
Energy: 0.28886413841893027
Energy: 0.28950658636880333
Energy: 0.29408811503088345
Energy: 0.2898316226330797
Energy: 0.2927471136830251
Energy: 0.28913963976410023
Energy: 0.2911159663309894
Energy: 0.29306039815764584
Energy: 0.2957040361281361
Energy: 0.29129843078051293
Energy: 0.28964171790793597
Energy: 0.3189889331767903
Energy: 0.29297435421160395
Energy: 0.30422333248429334
Energy: 0.3369479646222766
Energy: 0.31942657701558147
Energy: 0.28779986698784693
Energy: 0.3262816828146844
Energy: 0.3040178701194015
Energy: 0.28856803616357174
Energy: 0.3113914577331424
Energy: 0.30504265579843576
Energy: 0.3043463683771148
Energy: 0.31966154792230783
Energy: 0.3051718394642022
Energy: 0.30547262702955424
Energy: 0.33623958167575496
Energy: 0.30776475597636466
Energy: 0.3196632893845382
Energy: 0.30394491572043214
Energy: 0.3084420087287854
Energy: 0.297493865897364
Energy: 0.30961404734957426
Energy: 0.2856993961475736
Energy: 0.2880470819633632
Energy: 0.2976056180872604
Energy: 0.2850565737736668
Energy: 0.28916075057910584
Energy: 0.4834567726034864
Energy: 0.2854201332248451
Energy: 0.284467344860675
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Energy: 0.2863963464859049
Energy: 0.284935397117635
Energy: 0.3106866340860001
Energy: 0.28757056462205244
Energy: 0.28547260955477033
Energy: 0.28885174718769335
Energy: 0.29874584697929707
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Energy: 0.409475927870316
Energy: 0.27240671588371396
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Energy: 0.2849450692812745
Energy: 0.2808214303418403
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Energy: 0.3402752652767353
Energy: 0.2728704827979488
Energy: 0.2727806753004894
Energy: 0.2872917960789906
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Energy: 0.27271866616193974
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Energy: 0.2860950585639779
Energy: 0.28873473548223505
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Energy: 0.2858162280265548
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Energy: 0.2846586901641134
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Energy: 0.28100963920714156
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Energy: 0.3267813588158746
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Energy: 0.2899587159482454
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Energy: 0.28816859435988607
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Energy: 0.3210576941062307
Energy: 0.27993910214160855
Energy: 0.28015005173522844
Energy: 0.28840401714595243
Energy: 0.30297124795671737
Energy: 0.27917429578467357
Energy: 0.2831366838868589
Energy: 0.28297664005896794
Energy: 0.2894286131506799
Energy: 0.28349488312839805
Energy: 0.3019842050253584
Energy: 0.2894886366398259
Energy: 0.3206657774457138
Energy: 0.2951831918877281
Energy: 0.30699852652589754
Energy: 0.3206426266227907
Energy: 0.29516286090761806
Energy: 0.30716180370704727
Energy: 0.29824653166368853
Energy: 0.29112582669514925
Energy: 0.29033154485215323
Energy: 0.29532783211708263
Energy: 0.2967057746791936
Energy: 0.29133930616823844
Energy: 0.5342144904850384
Energy: 0.29162757981336374
Energy: 0.2779981502390323
Energy: 0.2801327799598719
Energy: 0.28324040312436316
Energy: 0.2786495665691001

minimum gb energy = 0.27240671588371396 eV
minimum distance =  2.68217427914154 Angstroms
sigma value = 67


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

Energy: 0.42538491031486175
Energy: 0.31096017167123435
Energy: 0.3106188235059635
Energy: 0.30950266368428975
Energy: 0.31389239994774565
Energy: 0.3101415308800009
Energy: 0.32214053567786655
Energy: 0.29693196659909327
Energy: 0.29632285483358556
Energy: 0.29580810480382086
Energy: 0.29765335180480434
Energy: 0.29651928146634243
Energy: 0.30383180531745163
Energy: 0.28626551148357454
Energy: 0.29352629236168454
Energy: 0.29452264771432657
Energy: 0.2841374569957286
Energy: 0.2933687766522173
Energy: 0.3036046948329059
Energy: 0.2943468468312968
Energy: 0.2933382299651934
Energy: 0.2932278446831149
Energy: 0.2950616563497035
Energy: 0.29389617175229055
Energy: 0.31038585547822806
Energy: 0.29692654833573306
Energy: 0.2974522922091457
Energy: 0.31054629104690745
Energy: 0.29666349401629327
Energy: 0.29739310270530134
Energy: 0.3111058666910732
Energy: 0.298103052250778
Energy: 0.299107087926737
Energy: 0.3113158355287222
Energy: 0.2974652291676236
Energy: 0.2994727769840286
Energy: 0.32205560490938384
Energy: 0.296862695911664
Energy: 0.2961658212171002
Energy: 0.2817362142237046
Energy: 0.2980572041370811
Energy: 0.29617362109630563

minimum gb energy = 0.2817362142237046 eV
minimum distance =  2.71869139939294 Angstroms
sigma value = 3


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

Energy: 0.5692052514070425
Energy: 0.3798187237056513
Energy: 0.3315720431959492
Energy: 0.32664215330797614
Energy: 0.531028805827165
Energy: 0.3430640653972659
Energy: 0.3637615917775588
Energy: 0.3549010582706986
Energy: 0.3442470865515266
Energy: 0.3441972228325178
Energy: 0.35503664196321344
Energy: 0.34063673395564165
Energy: 0.3679722086584604
Energy: 0.35603704012229836
Energy: 0.3564771791154338
Energy: 0.3450318895285746
Energy: 0.35596487350638234
Energy: 0.33862069376597054
Energy: 0.36189017043444044
Energy: 0.34104059803797815
Energy: 0.34198376183900625
Energy: 0.36307942334454096
Energy: 0.3542706592671735
Energy: 0.3422580965213917
Energy: 0.3668717261638406
Energy: 0.33197610184872994
Energy: 0.3758531349944135
Energy: 0.3674472961531965
Energy: 0.361222266612277
Energy: 0.34785499069718784
Energy: 0.3623143118611134
Energy: 0.36575953408365786
Energy: 0.36550161255391184
Energy: 0.3619840622014941
Energy: 0.3609135496113298
Energy: 0.3658116433699882
Energy: 0.36379886436595404
Energy: 0.3682303037837903
Energy: 0.36562303271691377
Energy: 0.36227960515337293
Energy: 0.3367216645923673
Energy: 0.3643076737975037
Energy: 0.43974303251404046
Energy: 0.38021125485510415
Energy: 0.34256566400687677
Energy: 0.35018568664765304
Energy: 0.3818542549113782
Energy: 0.37135444433694537
Energy: 0.36444693526918154
Energy: 0.36651435985301734
Energy: 0.3667856826548459
Energy: 0.36434801132372285
Energy: 0.3637696132334052
Energy: 0.37861974404626914
Energy: 0.3643552887473721
Energy: 0.34225845664994925
Energy: 0.3421147764775118
Energy: 0.3804874649091775
Energy: 0.3421501145703973
Energy: 0.3537448463120798
Energy: 0.38297612465280234
Energy: 0.34232397845535173
Energy: 0.3511983014479457
Energy: 0.384716103675149
Energy: 0.3401906251867358
Energy: 0.36951320562426293
Energy: 0.37233699830618133
Energy: 0.3696615392906981
Energy: 0.3731272835591005
Energy: 0.35981819172434903
Energy: 0.36095975681973097
Energy: 0.36211598313880305
Energy: 0.3495274187257648
Energy: 0.35976150380772487
Energy: 0.3596944716822118
Energy: 0.3435745712914087
Energy: 0.3592995187441212
Energy: 0.3641485607531581
Energy: 0.37551337198151247
Energy: 0.36178113158666353
Energy: 0.3609639369192371
Energy: 0.36886691700625435
Energy: 0.3600806322430221
Energy: 0.36306113672222223
Energy: 0.3881386850069132
Energy: 0.3607872612159218
Energy: 0.38527856378908537
Energy: 0.35264287949765283
Energy: 0.36003430990587054
Energy: 0.36432139918822
Energy: 0.38913694482791894
Energy: 0.3794161876513586
Energy: 0.38588884882267827
Energy: 0.377287957444904
Energy: 0.37770629482737267
Energy: 0.3630575647056528
Energy: 0.41180293321345024
Energy: 0.34306172373983895
Energy: 0.34387337313134086
Energy: 0.4126920475671376
Energy: 0.353412668991407
Energy: 0.3487874273600145
Energy: 0.3643767260143407
Energy: 0.3467840097051501
Energy: 0.37129237319761754
Energy: 0.3728915602316814
Energy: 0.3453467337815103
Energy: 0.3733787705121014
Energy: 0.39407872132068394
Energy: 0.36094815873719155
Energy: 0.3607648217366562
Energy: 0.3644623831607032
Energy: 0.3919761116101109
Energy: 0.3428294502804338
Energy: 0.3745363271303437
Energy: 0.3586751770464215
Energy: 0.36059562985485427
Energy: 0.3437414500815007
Energy: 0.356793550913768
Energy: 0.34186581180981496
Energy: 0.3566483945552963
Energy: 0.3651481820267268
Energy: 0.3657350958861201
Energy: 0.3541746856714339
Energy: 0.3660855535253795
Energy: 0.3665664501689682
Energy: 0.35824226325672376
Energy: 0.35809141854871657
Energy: 0.35626614684883445
Energy: 0.3591337461059374
Energy: 0.35882059760539586
Energy: 0.3551308097472316
Energy: 0.3625638839467621
Energy: 0.3620577883380041
Energy: 0.36052162894694284
Energy: 0.3628056657815895
Energy: 0.3568987246406858
Energy: 0.3609217244142397
Energy: 0.35654768439586765
Energy: 0.34918403890859095
Energy: 0.34931348366380616
Energy: 0.3566140407940603
Energy: 0.34978187437914293
Energy: 0.3702121616153142
Energy: 0.3608734838362412
Energy: 0.3720856450354609
Energy: 0.3751282851890552
Energy: 0.38327649144471226
Energy: 0.36045143992433337
Energy: 0.374768370446172
Energy: 0.3933421151321981
Energy: 0.3763115928914441
Energy: 0.331096387464073
Energy: 0.3451901082478412
Energy: 0.3869051878888755
Energy: 0.33974129946231996
Energy: 0.327796644183226
Energy: 0.3760095271638313
Energy: 0.3476674775171606
Energy: 0.32658514916353876
Energy: 0.3855605617651837
Energy: 0.3396837461868945
Energy: 0.361115900333653
Energy: 0.3731502275186757
Energy: 0.3752180443876151
Energy: 0.3840725266305243
Energy: 0.3725915872070724
Energy: 0.37470010887424154
Energy: 0.3662515542079856
Energy: 0.35642490630567986
Energy: 0.3568227228403196
Energy: 0.3662439628209366
Energy: 0.3568955330591435
Energy: 0.3646718571376116
Energy: 0.36295400905066777
Energy: 0.3651282892414882
Energy: 0.37024115476100955
Energy: 0.36376669711959303
Energy: 0.36511001659051384
Energy: 0.3683626403371886
Energy: 0.3632808090222909
Energy: 0.36921063538238047
Energy: 0.36767126041370773
Energy: 0.3637986273972501
Energy: 0.37979747895987603
Energy: 0.36640730221904166
Energy: 0.36633222225745093
Energy: 0.3586128102883301
Energy: 0.36056878204932247
Energy: 0.3647688546317935
Energy: 0.3586701697389018
Energy: 0.3685477662655347
Energy: 0.39394947940740177
Energy: 0.36512581803829036
Energy: 0.371112355361229
Energy: 0.350015675836533
Energy: 0.36936153594185456
Energy: 0.3433939112882563
Energy: 0.3588283802559818
Energy: 0.36850295161264246
Energy: 0.37272350388239756
Energy: 0.3449332481676444
Energy: 0.36560778367124636
Energy: 0.3747912672967672
Energy: 0.36979630485985315
Energy: 0.3563374778211243
Energy: 0.36262538180201687
Energy: 0.3623264801032055
Energy: 0.34031606865582964
Energy: 0.3587224443790423
Energy: 0.3761751864016722
Energy: 0.34251701102280174
Energy: 0.3419815948518402
Energy: 0.37639160265729715
Energy: 0.34230552255930735
Energy: 0.3420152599440223
Energy: 0.37152997437042656
Energy: 0.36578605695023364
Energy: 0.36680055073555173
Energy: 0.36260284216899247
Energy: 0.36474619780497236
Energy: 0.36923351107755453
Energy: 0.3510049759838656
Energy: 0.35947752783509396
Energy: 0.3616068672410735
Energy: 0.33546442910546737
Energy: 0.36026692545898353
Energy: 0.3649242819308807
Energy: 0.3777272364288809
Energy: 0.36433715063942673
Energy: 0.3674087227544388
Energy: 0.36328812078303624
Energy: 0.3632163179893247
Energy: 0.36448578922533026
Energy: 0.36435236969068646
Energy: 0.36210506688493804
Energy: 0.36081042611625086
Energy: 0.35278336032759494
Energy: 0.36186835288279684
Energy: 0.36446850214041315
Energy: 0.3961453515159146
Energy: 0.3612350198324902
Energy: 0.36186042914072053
Energy: 0.3795569286539364
Energy: 0.3843318662968143
Energy: 0.3799620866764913
Energy: 0.4091656546584333
Energy: 0.34667583429274346
Energy: 0.3482674050344191
Energy: 0.3852243061314119
Energy: 0.3528972168124652
Energy: 0.3766265526352883
Energy: 0.4081634125229689
Energy: 0.3442248889494235
Energy: 0.3445650820652794
Energy: 0.3852670343386828
Energy: 0.3532045037212099
Energy: 0.3593592391988238
Energy: 0.3914316223909489
Energy: 0.38511020815814256
Energy: 0.36085733616377563
Energy: 0.36774321088444084
Energy: 0.3797014350492997
Energy: 0.37759660925759714
Energy: 0.5003830936013648
Energy: 0.35535273942407447
Energy: 0.36643401865858444
Energy: 0.36623130364774803
Energy: 0.32520714968743275
Energy: 0.3670033614031082
Energy: 0.36215107580540673
Energy: 0.3601543614942298
Energy: 0.35922530340516917
Energy: 0.3632434136538711
Energy: 0.33484370829637594
Energy: 0.35981128411295027
Energy: 0.35712305273455697
Energy: 0.3572139656469372
Energy: 0.35437948512568124
Energy: 0.3585690474610697
Energy: 0.35832618255728294
Energy: 0.35557108004445803
Energy: 0.3671422475449683
Energy: 0.3435527529403716
Energy: 0.36557192817818435
Energy: 0.36732593566872973
Energy: 0.35744653033206986
Energy: 0.3492794568791282
Energy: 0.357249974543531
Energy: 0.35213864002503875
Energy: 0.33056820011146626
Energy: 0.35815281331049786
Energy: 0.35134698994660507
Energy: 0.3368106382310416
Energy: 0.36716354271768764
Energy: 0.34964596489990524
Energy: 0.34989525812769456
Energy: 0.3533365273711266
Energy: 0.34931736019656867
Energy: 0.3434322478158463
Energy: 0.36404802257448426
Energy: 0.34175727097533093
Energy: 0.3447569487666476
Energy: 0.3374740914732068
Energy: 0.3257763544422806
Energy: 0.3424040825214982

minimum gb energy = 0.32520714968743275 eV
minimum distance =  2.64046465891522 Angstroms
sigma value = 81


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

Energy: 0.5897690727321714
Energy: 0.3246411835914966
Energy: 0.3019993536013358
Energy: 0.30035323379368994
Energy: 0.3436592568369944
Energy: 0.32601282104419677
Energy: 0.3242883937760377
Energy: 0.3241499318189839
Energy: 0.3246234248072618
Energy: 0.3342269613125617
Energy: 0.32317656763821323
Energy: 0.3234846941086584
Energy: 0.3553343537310785
Energy: 0.3229203465979709
Energy: 0.3230764569404115
Energy: 0.3216039574055136
Energy: 0.3236335475950705
Energy: 0.3183233855948414
Energy: 0.34925515791581613
Energy: 0.3234233422234109
Energy: 0.3474627620674861
Energy: 0.35034558412451267
Energy: 0.32287672552788294
Energy: 0.3195423223233944
Energy: 0.34785573173681417
Energy: 0.34463699709010187
Energy: 0.34678265359331617
Energy: 0.3487459524741674
Energy: 0.344221281783776
Energy: 0.34457366922526683
Energy: 0.3512891212457697
Energy: 0.34632840538724224
Energy: 0.3453982274484161
Energy: 0.34871197816047284
Energy: 0.34507226113498674
Energy: 0.34613941338279186
Energy: 0.3492115792235706
Energy: 0.3527915957193636
Energy: 0.3454629949915721
Energy: 0.363367811222673
Energy: 0.3543132890427881
Energy: 0.348631551969375
Energy: 0.39707736670110744
Energy: 0.39409074147559775
Energy: 0.3817032196796433
Energy: 0.33038280616481336
Energy: 0.3722988902696855
Energy: 0.3305327655092082
Energy: 0.3482103956683473
Energy: 0.362534863621848
Energy: 0.35535755796429047
Energy: 0.37869446677003704
Energy: 0.36315782999471713
Energy: 0.3477085692666494
Energy: 0.3466090392512129
Energy: 0.30560018346543255
Energy: 0.30451103265752316
Energy: 0.34794827024228325
Energy: 0.3064118319790911
Energy: 0.302866794733581
Energy: 0.35244089427351644
Energy: 0.30952616008566936
Energy: 0.3095185716894521
Energy: 0.3480805094861618
Energy: 0.30771295899494316
Energy: 0.3454023451791423
Energy: 0.32402245362030657
Energy: 0.3645013636440101
Energy: 0.36449217153819735
Energy: 0.3249548670556679
Energy: 0.3652696681454947
Energy: 0.36384697624806717
Energy: 0.326751111603672
Energy: 0.3501499758677278
Energy: 0.3501810530951734
Energy: 0.3262766908460514
Energy: 0.35278222052476665
Energy: 0.32411289841837027
Energy: 0.3517298954033497
Energy: 0.3473276749059235
Energy: 0.34767225087673903
Energy: 0.349027473064112
Energy: 0.350229357871818
Energy: 0.34701284060279525
Energy: 0.38556412870057855
Energy: 0.34942610328001056
Energy: 0.3490688831543362
Energy: 0.34877503058196624
Energy: 0.350744548282016
Energy: 0.34932303868811143
Energy: 0.35356313560626923
Energy: 0.349262540011243
Energy: 0.34940131413727515
Energy: 0.35256100789832395
Energy: 0.34897016006815584
Energy: 0.34973697311979207
Energy: 0.3938319348774384
Energy: 0.3309010006565498
Energy: 0.33048102264634227
Energy: 0.38974072194707066
Energy: 0.32965556757837394
Energy: 0.3310983148517336
Energy: 0.3474013607535942
Energy: 0.3498874202042714
Energy: 0.3579060169209285
Energy: 0.3688087750245402
Energy: 0.3661355880660702
Energy: 0.3715124505886426
Energy: 0.30661220919612336
Energy: 0.3481197333214129
Energy: 0.30493988493444024
Energy: 0.3084449152318978
Energy: 0.3482980879733602
Energy: 0.305890590906504
Energy: 0.379758631585521
Energy: 0.3487082368911233
Energy: 0.30423462952964586
Energy: 0.3078681866818327
Energy: 0.348463135031217
Energy: 0.3054755611419626
Energy: 0.3456567727570703
Energy: 0.3510063173175676
Energy: 0.34680802241289976
Energy: 0.36329896046588606
Energy: 0.3508967976692413
Energy: 0.3530658540915038
Energy: 0.3541070115834555
Energy: 0.3224766203430706
Energy: 0.32239160119214205
Energy: 0.35355571176124845
Energy: 0.326094605241691
Energy: 0.3229536251579181
Energy: 0.3490084248601372
Energy: 0.3472441852761658
Energy: 0.3463569516250837
Energy: 0.3494070065707783
Energy: 0.34725739787764354
Energy: 0.3479264882708762
Energy: 0.3520962743922255
Energy: 0.34822239688049084
Energy: 0.3482934658949965
Energy: 0.34831928640381854
Energy: 0.348402801098894
Energy: 0.3481920708252925
Energy: 0.34879609666917843
Energy: 0.34743651592723196
Energy: 0.3486418169033176
Energy: 0.3494106636661834
Energy: 0.3515573432639892
Energy: 0.3482859820188087
Energy: 0.37403767424107676
Energy: 0.3732405225704198
Energy: 0.3655193356052667
Energy: 0.3311439734084712
Energy: 0.3649157600878951
Energy: 0.36529157195582423
Energy: 0.3374222747897566
Energy: 0.3904903270931277
Energy: 0.3894136950126477
Energy: 0.3435142003506082
Energy: 0.38879543539043115
Energy: 0.3896038542490204
Energy: 0.3495534477246851
Energy: 0.31026020217565037
Energy: 0.34600925236695085
Energy: 0.3481776482937436
Energy: 0.30843212478214627
Energy: 0.3454202187235859
Energy: 0.35757880869287245
Energy: 0.3050076915343329
Energy: 0.3037675436314624
Energy: 0.3495573638958038
Energy: 0.30605207933571893
Energy: 0.3024377640029373
Energy: 0.35186802108201287
Energy: 0.3616528342447988
Energy: 0.3446785739907721
Energy: 0.35030189704295467
Energy: 0.36247589818571335
Energy: 0.34561699461159195
Energy: 0.32429335246827345
Energy: 0.3548642927466583
Energy: 0.35905207424951074
Energy: 0.322870562338757
Energy: 0.38026901113995143
Energy: 0.324734148932493
Energy: 0.3519965249474193
Energy: 0.3487084903805822
Energy: 0.3440493121559198
Energy: 0.3534349085376813
Energy: 0.3478881185405974
Energy: 0.34222928470419817
Energy: 0.3919619601501072
Energy: 0.34351770526735653
Energy: 0.34332021062737156
Energy: 0.3478564624717216
Energy: 0.34329950031651446
Energy: 0.3442405399954353
Energy: 0.3509944504404899
Energy: 0.3447485785973132
Energy: 0.34726637182378167
Energy: 0.35347650772524297
Energy: 0.3465870306735108
Energy: 0.34562528712694873
Energy: 0.35383603364315386
Energy: 0.32499606169859063
Energy: 0.3521476959206329
Energy: 0.35504778060079756
Energy: 0.32920051264968414
Energy: 0.3244075028012627
Energy: 0.39232958252547384
Energy: 0.3297484154286999
Energy: 0.33010993272579453
Energy: 0.3383582647909766
Energy: 0.32951808067255095
Energy: 0.3329415372986981
Energy: 0.34868207081045693
Energy: 0.32455907204672246
Energy: 0.3246363301335433
Energy: 0.3205406714418426
Energy: 0.3233293785532262
Energy: 0.3256746200227979
Energy: 0.4668723776110601
Energy: 0.3197273185000616
Energy: 0.30247922957198964
Energy: 0.30465766198029953
Energy: 0.32309960934647614
Energy: 0.32615844167915037

minimum gb energy = 0.30035323379368994 eV
minimum distance =  2.66071602908649 Angstroms
sigma value = 43


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

Energy: 0.5990987852613218
Energy: 0.3378187526816701
Energy: 0.3248114549625922
Energy: 0.31995500577255054
Energy: 0.3486917204763969
Energy: 0.32456216450518127
Energy: 0.30800071139720886
Energy: 0.3155282671523942
Energy: 0.3197893764495701
Energy: 0.3422776119288203
Energy: 0.3147666179111776
Energy: 0.3129724422953227
Energy: 0.3120385735506284
Energy: 0.3166507384809931
Energy: 0.3158357960148005
Energy: 0.31301839209189614
Energy: 0.3165885143040684
Energy: 0.3133706103214733
Energy: 0.3125431460413557
Energy: 0.30951104172025634
Energy: 0.3141481322537373
Energy: 0.31205157798936967
Energy: 0.31190031457168516
Energy: 0.312766410943178
Energy: 0.31138217822863967
Energy: 0.31058155972536095
Energy: 0.31263511480325745
Energy: 0.31293289264645374
Energy: 0.3107863349125202
Energy: 0.311489004515178
Energy: 0.3118185028912056
Energy: 0.3103439516172817
Energy: 0.3115120079360408
Energy: 0.3125430808915558
Energy: 0.31114885270603354
Energy: 0.3115535575942345
Energy: 0.3127973688068963
Energy: 0.3124788237628161
Energy: 0.3104958298806211
Energy: 0.312714753653839
Energy: 0.312765601664923
Energy: 0.31368731004393735
Energy: 0.3524320304157635
Energy: 0.31361239343191905
Energy: 0.3137474747792902
Energy: 0.32846713918007614
Energy: 0.3134316016967956
Energy: 0.3151282370467806
Energy: 0.31335514676473525
Energy: 0.3103989931018434
Energy: 0.3122127881400577
Energy: 0.3131691459437345
Energy: 0.31195275917094784
Energy: 0.31384842608835795
Energy: 0.37702754968090363
Energy: 0.31945523363843853
Energy: 0.3209729995344959
Energy: 0.3422388429059507
Energy: 0.3285741747379238
Energy: 0.32977985644303637
Energy: 0.32657409423287154
Energy: 0.33142744130069757
Energy: 0.33359347482053914
Energy: 0.3134596725004101
Energy: 0.3231243446242971
Energy: 0.3212576655472796
Energy: 0.31846693051194436
Energy: 0.31262334834431577
Energy: 0.3110193568349089
Energy: 0.31192298093607296
Energy: 0.3105210178159858
Energy: 0.3119045759047641
Energy: 0.3317769733757255
Energy: 0.3129150327618429
Energy: 0.31723752478316547
Energy: 0.3173562891665099
Energy: 0.31687484211089667
Energy: 0.31691177355614575
Energy: 0.32614657138235437
Energy: 0.3131957067524667
Energy: 0.3222319020973504
Energy: 0.31469540457607925
Energy: 0.311413305328752
Energy: 0.32064118786111967
Energy: 0.32663589641580903
Energy: 0.32480187336449184
Energy: 0.3275709524755914
Energy: 0.3294283870509265
Energy: 0.31199484679210726
Energy: 0.3281479465319008
Energy: 0.32474139895679116
Energy: 0.3133037702145559
Energy: 0.3265469726452599
Energy: 0.32450299183030157
Energy: 0.31433252622871183
Energy: 0.32727126022255515
Energy: 0.32303154850665516
Energy: 0.3317328561321479
Energy: 0.3317578478005915
Energy: 0.32312457692733737
Energy: 0.32611428070165327
Energy: 0.3319676469678078
Energy: 0.3229471607287666
Energy: 0.33290076292993276
Energy: 0.33271137485914964
Energy: 0.326871509552752
Energy: 0.3274278626426383
Energy: 0.332711243637282
Energy: 0.32402969587813274
Energy: 0.32404610522501026
Energy: 0.32866965819567384
Energy: 0.31783446222939565
Energy: 0.32378219553175663
Energy: 0.3191337658801529
Energy: 0.32349752539023713
Energy: 0.3245322306333892
Energy: 0.32834722000691635
Energy: 0.317095529573037
Energy: 0.3244880928646095
Energy: 0.3147236548216347
Energy: 0.3229622167674732
Energy: 0.3305502327771931
Energy: 0.33192989358344643
Energy: 0.33187179988032006
Energy: 0.3198598148568537
Energy: 0.33260881334619946
Energy: 0.3485492494061988
Energy: 0.31839259553609645
Energy: 0.32178892512051865
Energy: 0.3472784971914227
Energy: 0.31362880455278697
Energy: 0.36797233426743364
Energy: 0.32424563152485647
Energy: 0.3299175309704917
Energy: 0.33001882685466394
Energy: 0.3270744274168515
Energy: 0.3277038031892656
Energy: 0.3323540947846092
Energy: 0.3410385202133194
Energy: 0.3288137437055458
Energy: 0.32839218874388765
Energy: 0.33074282077116834
Energy: 0.32637097917502705
Energy: 0.33188054169103764
Energy: 0.32409927162584584
Energy: 0.32440470573461166
Energy: 0.3289084486625151
Energy: 0.3271914023812572
Energy: 0.3240370198195607
Energy: 0.3287633678581581
Energy: 0.34415671677896303
Energy: 0.3288711159537091
Energy: 0.3285525460699558
Energy: 0.322667302754599
Energy: 0.32604061751097124
Energy: 0.32205826109297153
Energy: 0.3443496206904406
Energy: 0.32763108041284955
Energy: 0.3209634596777101
Energy: 0.3156767273059072
Energy: 0.3279849430189613
Energy: 0.32215933411844466
Energy: 0.3452520415798165
Energy: 0.3158627199124583
Energy: 0.31555822871564565
Energy: 0.31130677982759203
Energy: 0.32146826917874244
Energy: 0.31382631312189857
Energy: 0.3107407292166446
Energy: 0.3151101625057294
Energy: 0.31481226632961407
Energy: 0.3108366139563421
Energy: 0.32860782999944566
Energy: 0.3146063840533077
Energy: 0.31265770003907495
Energy: 0.31649929153199224
Energy: 0.3166084165093389
Energy: 0.34170394805427806
Energy: 0.31486125947369736
Energy: 0.3141042022340839
Energy: 0.31737889195493624
Energy: 0.3433578336389776
Energy: 0.3166647795359867
Energy: 0.3259934513646827
Energy: 0.3334877899003799
Energy: 0.32636328457511654

minimum gb energy = 0.30800071139720886 eV
minimum distance =  2.65265131403633 Angstroms
sigma value = 57


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

Energy: 0.399742392922409
Energy: 0.32469575340905016
Energy: 0.32419084426534533
Energy: 0.3182490492572121
Energy: 0.3707074272986303
Energy: 0.3243062081936648
Energy: 0.3178734394686166
Energy: 0.31807043589369577
Energy: 0.3143882943671746
Energy: 0.3367324192008933
Energy: 0.33532946056127055
Energy: 0.3134171520106827
Energy: 0.312380984752287
Energy: 0.29812865339771955
Energy: 0.3008443314919835
Energy: 0.32316158867031264
Energy: 0.30695171917778186
Energy: 0.29998803728677537
Energy: 0.32848202362905804
Energy: 0.29878420083301543
Energy: 0.3004121673700991
Energy: 0.3281587493388274
Energy: 0.30561690014513615
Energy: 0.31944502695689214
Energy: 0.32917853997091007
Energy: 0.3111267815265257
Energy: 0.30827076223786926
Energy: 0.3236950181974838
Energy: 0.3112534414139232
Energy: 0.3088783660015773
Energy: 0.30318686603757655
Energy: 0.30842150169851024
Energy: 0.3101805190218672
Energy: 0.3092216234284447
Energy: 0.3154970489648027
Energy: 0.30771292260491406
Energy: 0.30876863800736154
Energy: 0.33079430223904194
Energy: 0.3190122166381905
Energy: 0.3196409429130338
Energy: 0.33120595325967006
Energy: 0.31797732096940506
Energy: 0.3330996635805721
Energy: 0.32053612528696424
Energy: 0.3073399900709248
Energy: 0.3177971100811424
Energy: 0.3197756884254793
Energy: 0.31005036599536007
Energy: 0.3087282243700174
Energy: 0.3300348610568606
Energy: 0.31157049801754055
Energy: 0.3349587871361977
Energy: 0.3360618396465227
Energy: 0.3140376008688492
Energy: 0.39458649346142244
Energy: 0.3129469235158742
Energy: 0.33031484633863023
Energy: 0.3140145994617062
Energy: 0.31244213042483676
Energy: 0.3243103618855811
Energy: 0.32356594985988724
Energy: 0.3153238784112503
Energy: 0.3136061820526912
Energy: 0.3092417174762586
Energy: 0.3161276329227098
Energy: 0.31066606378285
Energy: 0.314827591845482
Energy: 0.33023487155948994
Energy: 0.3296180756548397
Energy: 0.31009427607307105
Energy: 0.3309600670424774
Energy: 0.3072064650326907
Energy: 0.3136740912171373
Energy: 0.323590757639919
Energy: 0.3192805278228486
Energy: 0.31054870237669974
Energy: 0.3272097477081282
Energy: 0.33856810869348675
Energy: 0.30797222921910045
Energy: 0.31471519260485237
Energy: 0.31288668358361155
Energy: 0.3345726065012762
Energy: 0.33669514300481335
Energy: 0.3113871013833354
Energy: 0.3144711236387941
Energy: 0.30967584506088686
Energy: 0.32374045596447076
Energy: 0.3127488941222993
Energy: 0.31180391023490084
Energy: 0.30861893617947656
Energy: 0.33073433192328827
Energy: 0.3178445887816761
Energy: 0.3179556952512131
Energy: 0.33120833252313836
Energy: 0.31400779388361544
Energy: 0.31792685154750444
Energy: 0.33041965925728495
Energy: 0.3100552183032087
Energy: 0.30782003708428596
Energy: 0.3122093610947401
Energy: 0.3100660770638354
Energy: 0.3106974660469636
Energy: 0.33036204721444157
Energy: 0.31622344180477
Energy: 0.3112970413359084
Energy: 0.31280477903546433
Energy: 0.30954980141276717
Energy: 0.30845707068989736
Energy: 0.3373793307033233
Energy: 0.3284795361548291
Energy: 0.32723052557197496
Energy: 0.31236301779308107
Energy: 0.327801939821691
Energy: 0.31587831091893004
Energy: 0.3377982159003572
Energy: 0.32396591160909005
Energy: 0.3263004086171799
Energy: 0.31318110285355377
Energy: 0.32390374645164843
Energy: 0.31385482943020965
Energy: 0.30953229980271985
Energy: 0.3308206389866111
Energy: 0.3145983708922767
Energy: 0.30974844953146186
Energy: 0.33236274066107996
Energy: 0.31331647093753967
Energy: 0.3897548650378323
Energy: 0.3182517207046514
Energy: 0.3114097530157065
Energy: 0.3102950273416123
Energy: 0.31308700396139827
Energy: 0.3124261059944906
Energy: 0.307633812818492
Energy: 0.33396119382220746
Energy: 0.3157733536146764
Energy: 0.30936745380119157
Energy: 0.3364583037844922
Energy: 0.3142510523112415
Energy: 0.3124975110716218
Energy: 0.32733623086047214
Energy: 0.3193328155952611
Energy: 0.31040951727718125
Energy: 0.3280195332406551
Energy: 0.338142944490114

minimum gb energy = 0.29812865339771955 eV
minimum distance =  2.63317908999036 Angstroms
sigma value = 17


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

Energy: 0.3009128129013589
Energy: 0.3572775953629615
Energy: 0.3872760629386341
Energy: 0.30613664487967235
Energy: 0.3379167113708526
Energy: 0.3059748145285825
Energy: 0.31971068127060126
Energy: 0.3446173648196865
Energy: 0.30844303329489714
Energy: 0.3510925450153675
Energy: 0.3464502591942626
Energy: 0.299942850301869
Energy: 0.3350351248625494
Energy: 0.2913812601491617
Energy: 0.29466478338522656
Energy: 0.3358531784046123
Energy: 0.29097510711605795
Energy: 0.29548770380411127
Energy: 0.34033203738790635
Energy: 0.29356843534841526
Energy: 0.3100811941445095
Energy: 0.34052893292949
Energy: 0.27913148718951397
Energy: 0.3165359556238052
Energy: 0.3110244894516091
Energy: 0.29088668369079196
Energy: 0.2900093204472593
Energy: 0.311664891713712
Energy: 0.29000944084236563
Energy: 0.2875293911862227
Energy: 0.3071475047434154
Energy: 0.29151258735041125
Energy: 0.2896307176263023
Energy: 0.28074485989964865
Energy: 0.3092852573390218
Energy: 0.28048662054387524
Energy: 0.3115814417976873
Energy: 0.30712155682011105
Energy: 0.2964578863625056
Energy: 0.30149087965688004
Energy: 0.30866381533532056
Energy: 0.2927303749696044
Energy: 0.299699357073789
Energy: 0.27996626162715416
Energy: 0.27900518535550917
Energy: 0.2797913534827624
Energy: 0.28017893797397536
Energy: 0.2792642232025947
Energy: 0.30775373461027655
Energy: 0.27847010715952497
Energy: 0.2783054212986093
Energy: 0.3084387781450886
Energy: 0.27962790320895126
Energy: 0.29345759814337824
Energy: 0.3088421166263263
Energy: 0.2892781618291527
Energy: 0.28910089055733174
Energy: 0.3088653490639263
Energy: 0.289818289736649
Energy: 0.2911589900862274
Energy: 0.3028039662154224
Energy: 0.28758070241819944
Energy: 0.2875735323338084
Energy: 0.30021392126853624
Energy: 0.3113412151172196
Energy: 0.2902703161204928
Energy: 0.31213014118898924
Energy: 0.343057802844659
Energy: 0.34162579932371684
Energy: 0.28405571696092224
Energy: 0.3523933799399545
Energy: 0.31669836671412566
Energy: 0.30325214888958923
Energy: 0.3346439074774381
Energy: 0.3356847841883347
Energy: 0.28872160870887426
Energy: 0.3359356645140419
Energy: 0.3347939824445613
Energy: 0.350646192296971
Energy: 0.3452902582894201
Energy: 0.3020812628875935
Energy: 0.3487329369866358
Energy: 0.347775108732952
Energy: 0.30437164793708893
Energy: 0.35080278958328925
Energy: 0.3379643717709314
Energy: 0.3378022962032981
Energy: 0.3371467456674992
Energy: 0.3323452489623591
Energy: 0.3408816190469156
Energy: 0.3287097033848107
Energy: 0.3508491628195627
Energy: 0.3070220870577066
Energy: 0.3486416909682181
Energy: 0.34893767159226086
Energy: 0.3454687349354262
Energy: 0.2979879010007145
Energy: 0.33485536436938146
Energy: 0.3582222059570439
Energy: 0.29655684209076294
Energy: 0.3354796438751024
Energy: 0.35936229984380214

minimum gb energy = 0.2783054212986093 eV
minimum distance =  2.62653788671475 Angstroms
sigma value = 17


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

Energy: 0.5660702775350351
Energy: 0.3716626125331969
Energy: 0.30897592748894565
Energy: 0.2874597306279683
Energy: 0.4554077825354333
Energy: 0.308821765110103
Energy: 0.3190145096180893
Energy: 0.3238844543075601
Energy: 0.27596903434320863
Energy: 0.329425747823642
Energy: 0.3359775124305177
Energy: 0.3080923123614283
Energy: 0.4141870600643917
Energy: 0.26420320436267963
Energy: 0.2820595028706967
Energy: 0.34923503643281234
Energy: 0.26364660081225233
Energy: 0.28291181717965186
Energy: 0.34709270641311357
Energy: 0.3011729036647882
Energy: 0.2929309498285887
Energy: 0.34744506443337336
Energy: 0.26751849003878725
Energy: 0.3024336646218254
Energy: 0.30415880670651535
Energy: 0.2751185911897344
Energy: 0.275972353711628
Energy: 0.3052230979194234
Energy: 0.27986585007479525
Energy: 0.27298317147213524
Energy: 0.2894991494545884
Energy: 0.2771437713645011
Energy: 0.26110750636923513
Energy: 0.2634247728696894
Energy: 0.29966261975938413
Energy: 0.2630864820312605
Energy: 0.28105445376195926
Energy: 0.30323702497562155
Energy: 0.29935715557189657
Energy: 0.2616673446577781
Energy: 0.3012334128628471
Energy: 0.25946733192737853
Energy: 0.29229297068020316
Energy: 0.2580648957385969
Energy: 0.26139270254843633
Energy: 0.261832464979273
Energy: 0.2579898202004205
Energy: 0.2631001141220463
Energy: 0.2825576638666643
Energy: 0.2616801633053723
Energy: 0.26088905310537414
Energy: 0.2817822863601173
Energy: 0.25920019281932133
Energy: 0.2809297072969085
Energy: 0.2810703236678631
Energy: 0.2584555126090862
Energy: 0.2582599174123315
Energy: 0.28100292073074185
Energy: 0.2582901810212655
Energy: 0.25864788589643717
Energy: 0.28857746129074796
Energy: 0.257755632940737
Energy: 0.2581951248854389
Energy: 0.257889492806824
Energy: 0.28100403585122397
Energy: 0.25839394773833607
Energy: 0.28250822253248986
Energy: 0.2851485848512059
Energy: 0.28099847484868795
Energy: 0.28336139327492266
Energy: 0.2830469718764258
Energy: 0.2619485339161612
Energy: 0.2899853010612775
Energy: 0.26273885117477574
Energy: 0.26236912942940627
Energy: 0.2608705477679549
Energy: 0.26528644673823715
Energy: 0.2601562740193713
Energy: 0.29976669629127844
Energy: 0.26025082195136334
Energy: 0.25906843820821357
Energy: 0.3005151005817486
Energy: 0.2616470470800996
Energy: 0.2994163500008985
Energy: 0.2995323936383261
Energy: 0.26444009711640587
Energy: 0.2642369915290342
Energy: 0.29976038428688045
Energy: 0.2645234269827995
Energy: 0.2721034178639931
Energy: 0.3478374779901663
Energy: 0.2912368082162564
Energy: 0.27601296167666145
Energy: 0.29043545121590997
Energy: 0.296685408827806
Energy: 0.2751572930518873
Energy: 0.28186812309544085
Energy: 0.3509107960221666
Energy: 0.33758182420213556
Energy: 0.27306354775321234
Energy: 0.3488732420208445
Energy: 0.2767745287582882
Energy: 0.28153746370522875
Energy: 0.33448988400503504
Energy: 0.3144138771444436
Energy: 0.29658934914729745
Energy: 0.3385552998914077
Energy: 0.27628584789466315
Energy: 0.38526960223116585
Energy: 0.31253095395135494
Energy: 0.29216731164758003
Energy: 0.3461480762799695
Energy: 0.29616591780499646
Energy: 0.2763804464024223
Energy: 0.41777923684728213
Energy: 0.29039511177899713
Energy: 0.28579335046241183
Energy: 0.31802578465233877
Energy: 0.28468049801108736
Energy: 0.3220405385953629
Energy: 0.40982873727397395
Energy: 0.3147712849976688
Energy: 0.30654189893102063
Energy: 0.34743528980315513
Energy: 0.3177340682867745
Energy: 0.27349056431140495
Energy: 0.2854766189530529
Energy: 0.33574298342874603
Energy: 0.36788482366094366
Energy: 0.30244740325986424
Energy: 0.33818819566780783
Energy: 0.2858530414512834
Energy: 0.28707604530502717
Energy: 0.3343948463826105
Energy: 0.33515011703163033
Energy: 0.28014376072032804
Energy: 0.3379791665475923
Energy: 0.30723432171589243
Energy: 0.4086893355758135
Energy: 0.2880927372534986
Energy: 0.27444024342060375
Energy: 0.3464710813376591
Energy: 0.2656387223218976
Energy: 0.31931318089038896
Energy: 0.35220357776999267
Energy: 0.26563682172494635
Energy: 0.28430016534810276
Energy: 0.35196880760119525
Energy: 0.2649592021160616
Energy: 0.28573194696460696
Energy: 0.3072873558378764
Energy: 0.2736767166105087
Energy: 0.2743562985717867
Energy: 0.29806025568888705
Energy: 0.2788174977177114
Energy: 0.27764894160807063
Energy: 0.27699768470092007
Energy: 0.2764629649799637
Energy: 0.2837414592259337
Energy: 0.2632269551985366
Energy: 0.2798971122789765
Energy: 0.2643878603567245
Energy: 0.27999170769643195
Energy: 0.3026172353188878
Energy: 0.30535854442365706
Energy: 0.2806494703873966
Energy: 0.30116962479276993
Energy: 0.29933478615366693
Energy: 0.29174802054029164
Energy: 0.2610627792978958
Energy: 0.2613720071692743
Energy: 0.26084982502513826
Energy: 0.30023931427127126
Energy: 0.261379469221489
Energy: 0.28609155223560917
Energy: 0.2587734297049906
Energy: 0.2615635003475689
Energy: 0.28649466639281657
Energy: 0.257591936688958
Energy: 0.2615777725003475
Energy: 0.2832325540165445
Energy: 0.2572430650317925
Energy: 0.2570226351356446
Energy: 0.28388612646037364
Energy: 0.25720987795548517
Energy: 0.25693232512607445
Energy: 0.2843583531502687
Energy: 0.25742880883594604
Energy: 0.257532909953346
Energy: 0.28065209349697373
Energy: 0.2565844785909945
Energy: 0.2574797902574444
Energy: 0.2861914419797263
Energy: 0.2835077895201674
Energy: 0.28649609092699885
Energy: 0.2856625926572949
Energy: 0.2824619953515093
Energy: 0.2808587109989779
Energy: 0.2775479681409553
Energy: 0.2624394870211142
Energy: 0.25926447030033317
Energy: 0.2612453679408885
Energy: 0.2620065646653286
Energy: 0.25970642421435614
Energy: 0.3030700615260927
Energy: 0.26011731086679524
Energy: 0.25932641920053545
Energy: 0.3037402472686702
Energy: 0.26072972763551294
Energy: 0.25974291442853015
Energy: 0.3031344140162127
Energy: 0.26084470408605953
Energy: 0.2732868963318791
Energy: 0.3034686704682259
Energy: 0.26065602870542
Energy: 0.28184029027102714
Energy: 0.3888914235753455
Energy: 0.27363102946365614
Energy: 0.27315985497535494
Energy: 0.29343188603084225
Energy: 0.2963429566417804
Energy: 0.27274772654696444
Energy: 0.28436668318457314
Energy: 0.3484401610136569
Energy: 0.2914452788326024
Energy: 0.28457901593415963
Energy: 0.34788854265218777
Energy: 0.2914136710177014
Energy: 0.28144862735686804
Energy: 0.3174085373183551
Energy: 0.284803279518855
Energy: 0.27589366667114856
Energy: 0.31922759891318464
Energy: 0.28519052182441273
Energy: 0.29945684705766074
Energy: 0.31513058477411776
Energy: 0.3156235283181058
Energy: 0.2973125752886725
Energy: 0.3175118234410861
Energy: 0.28954293764814254
Energy: 0.3867172487576545
Energy: 0.2740947964432892
Energy: 0.32388097954377
Energy: 0.337688820836162
Energy: 0.2747427629686744
Energy: 0.32426054556637496
Energy: 0.40815808098553624
Energy: 0.30969223454245903
Energy: 0.2784137669326626
Energy: 0.3470658741020668
Energy: 0.2858423879580098
Energy: 0.3196754569535216
Energy: 0.28763452503754083
Energy: 0.31741743841501086
Energy: 0.3183481042569519
Energy: 0.28079911457829126
Energy: 0.33708904969377396
Energy: 0.30791190305417854

minimum gb energy = 0.2565844785909945 eV
minimum distance =  2.68274826652543 Angstroms
sigma value = 57


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

Energy: 0.2633308044225126
Energy: 0.31499452032989783
Energy: 0.29053404352190704
Energy: 0.2549313270394859
Energy: 0.42203433613844454
Energy: 0.28942134822005344
Energy: 0.3474546898581808
Energy: 0.26087253860254433
Energy: 0.26155027229867694
Energy: 0.2950092596914748
Energy: 0.26073253212674646
Energy: 0.2956745282104605
Energy: 0.39174714908048386
Energy: 0.25012370740445855
Energy: 0.2502583003026644
Energy: 0.3210513644873798
Energy: 0.2501652422321592
Energy: 0.2679171839197707
Energy: 0.3355682859518517
Energy: 0.252202139554426
Energy: 0.26916317145122864
Energy: 0.28269686826613616
Energy: 0.25201568490125353
Energy: 0.29264888058804017
Energy: 0.2910127781537683
Energy: 0.2647804994710928
Energy: 0.26630318202596637
Energy: 0.29149552538261286
Energy: 0.26466771265933603
Energy: 0.2631612531359932
Energy: 0.2575264958679539
Energy: 0.2581398342642577
Energy: 0.24926762797461105
Energy: 0.24166311948221134
Energy: 0.2997565880288017
Energy: 0.2497276134696362
Energy: 0.27767716429467804
Energy: 0.29657519618433265
Energy: 0.2977066354693047
Energy: 0.24516793792200714
Energy: 0.29478919435565193
Energy: 0.24550051917405116
Energy: 0.3525699923476095
Energy: 0.23982669604276016
Energy: 0.24734297615748438
Energy: 0.24888423052790232
Energy: 0.2396430105776282
Energy: 0.25245932944567495
Energy: 0.27103685748764267
Energy: 0.2623365498878365
Energy: 0.2477371526104127
Energy: 0.27163903245721993
Energy: 0.27389903513450237
Energy: 0.2765631728508276
Energy: 0.27694470360651935
Energy: 0.2413497935558715
Energy: 0.24143938699224055
Energy: 0.2772104228594801
Energy: 0.24065951963565219
Energy: 0.2414557788158769
Energy: 0.2619667851839195
Energy: 0.2673386492272486
Energy: 0.24562015434908846
Energy: 0.24217357865624753
Energy: 0.2666118343216355
Energy: 0.24582974622069506
Energy: 0.2717939805698848
Energy: 0.26351840224850087
Energy: 0.26625631436762964
Energy: 0.25342037826649094
Energy: 0.26376671618919223
Energy: 0.23938323365751607
Energy: 0.2611382986598567
Energy: 0.2702029116356309
Energy: 0.24129665428863123
Energy: 0.2407886086516224
Energy: 0.27339768644933937
Energy: 0.24108359381460645
Energy: 0.2601572925855731
Energy: 0.23832438870653405
Energy: 0.2509963818978575
Energy: 0.2609829614169429
Energy: 0.2574552855299249
Energy: 0.2661688492041492
Energy: 0.2685689150784936
Energy: 0.2390122232627911
Energy: 0.23818899320860595
Energy: 0.26842354549617276
Energy: 0.24288909347850574
Energy: 0.2390324176090619
Energy: 0.27905105719451906
Energy: 0.27639240493367606
Energy: 0.24078518183587794
Energy: 0.2409317781165057
Energy: 0.2744935785785594
Energy: 0.24039364436446062
Energy: 0.26074430137660076
Energy: 0.27432012094521135
Energy: 0.2729231109003939
Energy: 0.24282410137786017
Energy: 0.273761732389349
Energy: 0.25017577287938747
Energy: 0.26129953409800266
Energy: 0.24946863592213703
Energy: 0.24977563084386967
Energy: 0.261712760193993
Energy: 0.25025090167244396
Energy: 0.25028361258712106
Energy: 0.29230040366267873
Energy: 0.2453546840504716
Energy: 0.26869648053155476
Energy: 0.29304834756929093
Energy: 0.24909777522090895
Energy: 0.2980415992157357
Energy: 0.33255361357341995
Energy: 0.2521839259588492
Energy: 0.2519849857505457
Energy: 0.263298029531204
Energy: 0.25123706641084614
Energy: 0.26074469613558454
Energy: 0.3676238350227344
Energy: 0.28261520193802286
Energy: 0.2613604895707994
Energy: 0.28070786596703584
Energy: 0.2816177046786572
Energy: 0.2647954757439846
Energy: 0.26032980217498947
Energy: 0.3404234656783334
Energy: 0.2651657876968335
Energy: 0.24504165920003346
Energy: 0.33913058430419124
Energy: 0.26130824027063554
Energy: 0.27245109130059336
Energy: 0.2983115136062698
Energy: 0.29943268073875173
Energy: 0.26147818032956016
Energy: 0.29643848906117126
Energy: 0.3024330550389616
Energy: 0.3647264648778915
Energy: 0.28219618237135274
Energy: 0.2637231481204737
Energy: 0.28173408320528737
Energy: 0.28793893844769963
Energy: 0.2628406733386132
Energy: 0.3944408258702452
Energy: 0.26150729560290215
Energy: 0.2631434513103951
Energy: 0.3058024579083776
Energy: 0.26176900304388456
Energy: 0.30460582536327324
Energy: 0.3884243112236368
Energy: 0.29528972204116555
Energy: 0.29411296274202636
Energy: 0.3181539266480662
Energy: 0.29490327973651603
Energy: 0.27446693989882953
Energy: 0.26263058389594707
Energy: 0.303055983420061
Energy: 0.27257791868692227
Energy: 0.2514034543146041
Energy: 0.3020340477516484
Energy: 0.2729444153436931

minimum gb energy = 0.23818899320860595 eV
minimum distance =  2.70088391925566 Angstroms
sigma value = 43


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

Energy: 0.22414411358703606
Energy: 0.25447873939435
Energy: 0.2546301664552937
Energy: 0.21504853327489049
Energy: 0.2798504244076666
Energy: 0.24198562996940615
Energy: 0.318871762147016
Energy: 0.21771061102315417
Energy: 0.21499092352519014
Energy: 0.24830458620322327
Energy: 0.21788209420296595
Energy: 0.21514604603046364
Energy: 0.33366409626599247
Energy: 0.2080393664286066
Energy: 0.21513656802496064
Energy: 0.23872618816037924
Energy: 0.20725712121027345
Energy: 0.21480884398188826
Energy: 0.29012779721229637
Energy: 0.21493341038982167
Energy: 0.2150907236349628
Energy: 0.24248406930114125
Energy: 0.2201603395727037
Energy: 0.2303715687231662
Energy: 0.25725638104907195
Energy: 0.21778800916887855
Energy: 0.21471343340861515
Energy: 0.23755564273872815
Energy: 0.21812675448448862
Energy: 0.21446694074891143
Energy: 0.2173525126066984
Energy: 0.2139343792652937
Energy: 0.2085438580499289
Energy: 0.20277654780651347
Energy: 0.25688830994635153
Energy: 0.2193126318633731
Energy: 0.3061839621053738
Energy: 0.2572116831532596
Energy: 0.257123996053029
Energy: 0.20562424068712642
Energy: 0.2596884908375764
Energy: 0.2036819080172629
Energy: 0.3030751061979693
Energy: 0.1997482135188975
Energy: 0.20202294682305547
Energy: 0.2054077964933612
Energy: 0.19906812021683584
Energy: 0.20262329785085426
Energy: 0.23840543850606546
Energy: 0.20111376007013332
Energy: 0.20654091719380477
Energy: 0.2390368796445021
Energy: 0.19693438472307048
Energy: 0.22261563162667475
Energy: 0.23801582063233767
Energy: 0.19961630332731853
Energy: 0.19953221084015696
Energy: 0.23796842770307938
Energy: 0.1995359088837943
Energy: 0.19826334513698626
Energy: 0.21503139570478338
Energy: 0.22600789644608785
Energy: 0.19789217217813174
Energy: 0.19830687756560902
Energy: 0.22596800059281322
Energy: 0.19679801758105553
Energy: 0.23991694818169482
Energy: 0.2259893148274719
Energy: 0.22600227295606293
Energy: 0.19704554694149695
Energy: 0.22906267966547322
Energy: 0.19654492214121252
Energy: 0.2908122483979573
Energy: 0.21713674746198416
Energy: 0.22002914674720453
Energy: 0.2199856058761726
Energy: 0.21702076390303257
Energy: 0.22102057987461235
Energy: 0.2189102513878113
Energy: 0.2122697444570293
Energy: 0.2230500047150081
Energy: 0.2195252270168828
Energy: 0.21659189602715792
Energy: 0.21899733089373496
Energy: 0.21889391687636134
Energy: 0.19522759409573018
Energy: 0.19503533232436016
Energy: 0.2190271025666521
Energy: 0.19555144463241506
Energy: 0.19511643221897065
Energy: 0.21691608777111904
Energy: 0.21585544051971992
Energy: 0.19460889247268226
Energy: 0.19542520289760343
Energy: 0.21573334152495768
Energy: 0.19366099420354047
Energy: 0.22021045737819583
Energy: 0.2157320026199591
Energy: 0.21636360404403396
Energy: 0.19565702091741047
Energy: 0.21564567435435683
Energy: 0.19594524929382998
Energy: 0.21597352680378537
Energy: 0.19548917953787873
Energy: 0.1962784606040453
Energy: 0.21623788097808244
Energy: 0.21615339147109697
Energy: 0.19631590793841142
Energy: 0.21613666988547608
Energy: 0.21060073289467193
Energy: 0.21607509906879427
Energy: 0.21657697121714226
Energy: 0.25408724826020523
Energy: 0.21586078970695866
Energy: 0.2159453869707232
Energy: 0.1973093137140074
Energy: 0.19772020960391704
Energy: 0.2188226306112474
Energy: 0.21732046291202134
Energy: 0.19804721722137503
Energy: 0.22720311461281859
Energy: 0.21895977986971443
Energy: 0.21960366496829434
Energy: 0.19813117569694375
Energy: 0.22332727244175507
Energy: 0.1974234086357841
Energy: 0.21760345630316227
Energy: 0.21908230088078592
Energy: 0.19773134810221454
Energy: 0.1945426669395957
Energy: 0.2189384663219847
Energy: 0.1947810369922444
Energy: 0.22569625372368815
Energy: 0.19661862501408625
Energy: 0.19601624392080938
Energy: 0.22591054949793626
Energy: 0.19501469741410346
Energy: 0.19500855270477532
Energy: 0.22585399695014244
Energy: 0.22359792939826345
Energy: 0.22896476599544294
Energy: 0.22657041250850482
Energy: 0.20835252339582616
Energy: 0.2258820373786799
Energy: 0.2957606569386271
Energy: 0.20938449272250195
Energy: 0.21294499786415516
Energy: 0.22657654188414553
Energy: 0.20930254594201006
Energy: 0.22631546107696296
Energy: 0.27329848113678346
Energy: 0.23795133583411185
Energy: 0.23806119586485244
Energy: 0.1975961115568023
Energy: 0.24113916593821236
Energy: 0.19746201212929756
Energy: 0.21625524454232645
Energy: 0.23754028141084177
Energy: 0.20228805947983355
Energy: 0.20044398901906757
Energy: 0.23763707837153536
Energy: 0.20076627407816702
Energy: 0.24447916901030659
Energy: 0.2059170215152174
Energy: 0.20452810310372305
Energy: 0.23444953928928436
Energy: 0.2056986320717493
Energy: 0.20408812682112853
Energy: 0.25807582699851
Energy: 0.20714899329397832
Energy: 0.21721673250829396
Energy: 0.25876819603652934
Energy: 0.20082021035339606
Energy: 0.22008474346039528
Energy: 0.31420134848695913
Energy: 0.2035569775946237
Energy: 0.20829656098462054
Energy: 0.2133111387593491
Energy: 0.203670707468352
Energy: 0.20830507537347884
Energy: 0.3127588608004523
Energy: 0.24026836500889395
Energy: 0.24052458810800312
Energy: 0.2205871444672992
Energy: 0.24135616335761043
Energy: 0.21725928621771323
Energy: 0.22028596538845768
Energy: 0.24991772574683613
Energy: 0.21996350019660127
Energy: 0.20914202794931544
Energy: 0.26746549729086766
Energy: 0.21954664623889508
Energy: 0.2882091653013014
Energy: 0.23823447734459474
Energy: 0.23883923418123104
Energy: 0.24412931349217457
Energy: 0.24457863154611637
Energy: 0.23550946650629265
Energy: 0.3137191074993578
Energy: 0.22374143245139863
Energy: 0.22378552771208346
Energy: 0.24250893416489452
Energy: 0.26680527845027774
Energy: 0.24084794772861515
Energy: 0.33327046384444065
Energy: 0.2161129568197213
Energy: 0.22362374101694893
Energy: 0.26667287988381966
Energy: 0.21489529588213208
Energy: 0.23142630088298438
Energy: 0.309398773061574
Energy: 0.23810247823901723
Energy: 0.23871799933712434
Energy: 0.24143755434279476
Energy: 0.23791053815338137
Energy: 0.2159283333492574

minimum gb energy = 0.19366099420354047 eV
minimum distance =  2.70124203068766 Angstroms
sigma value = 81


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

Energy: 0.11320643980883549
Energy: 0.12766295437322395
Energy: 0.011762763042391126
Energy: 0.012336948448410255
Energy: 0.21649321488496
Energy: 0.11346910613433626
Energy: 0.12758506463519587
Energy: 0.206011211242361
Energy: 0.2060440583957079
Energy: 0.22777097705329888
Energy: 0.2083637510398595
Energy: 0.20585557106401414
Energy: 0.21716796498374127
Energy: 0.011548343720238457
Energy: 0.011588526709976074
Energy: 0.2268001582213564
Energy: 0.011502751901245029
Energy: 0.026452329163349414
Energy: 0.21651199193780818
Energy: 0.011589447135553628
Energy: 0.011737677566479922
Energy: 0.22027036721565627
Energy: 0.011563164202145053
Energy: 0.025818587565879556
Energy: 0.02557911850795364
Energy: 0.2306214465647946
Energy: 0.2310461757913543
Energy: 0.026006301935778322
Energy: 0.230344214136463
Energy: 0.23128313748233642
Energy: 0.011790375181634729
Energy: 0.21673747982025648
Energy: 0.01173393105745027
Energy: 0.012626079174501847
Energy: 0.21669701282891485
Energy: 0.011593877876221481
Energy: 0.22951636378873105
Energy: 0.20649575077084356
Energy: 0.20561719633019188
Energy: 0.23181853799295063
Energy: 0.20790408749967762
Energy: 0.2167683452216612
Energy: 0.229981787765991
Energy: 0.01158101661269443
Energy: 0.011691589953115419
Energy: 0.23277413280683198
Energy: 0.011519965363562163
Energy: 0.011834976851534824
Energy: 0.20429723637897468
Energy: 0.011682148120418796
Energy: 0.026629714849002187
Energy: 0.214351207900139
Energy: 0.011682718366425416
Energy: 0.026339788511365418
Energy: 0.11363686649952344
Energy: 0.22015788611641415
Energy: 0.21925406545319875
Energy: 0.011842112808601863
Energy: 0.21853554711415965
Energy: 0.21815651029262884

minimum gb energy = 0.011502751901245029 eV
minimum distance =  2.77514448664345 Angstroms
sigma value = 3


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

Energy: 0.2513842779456099
Energy: 0.26079856446470945
Energy: 0.24773179981849694
Energy: 0.23075243486226674
Energy: 0.24513735545251092
Energy: 0.23300150716321888
Energy: 0.25603396129503586
Energy: 0.2482297439064954
Energy: 0.24900252057195257
Energy: 0.2491335360495041
Energy: 0.25202126989399726
Energy: 0.24932582220169477
Energy: 0.2551359542162499
Energy: 0.23648895718419558
Energy: 0.23681539104617094
Energy: 0.24810337782590391
Energy: 0.2374572733631432
Energy: 0.24358951034567947
Energy: 0.24568012305237857
Energy: 0.23704563207786483
Energy: 0.2368334719889983
Energy: 0.2457473883406947
Energy: 0.2165118127628016
Energy: 0.24597242318759602
Energy: 0.221913996019024
Energy: 0.24952822289285986
Energy: 0.24939308974411575
Energy: 0.222180295106801
Energy: 0.25154041191750726
Energy: 0.24887240909712496
Energy: 0.23714537331533372
Energy: 0.24785417878647079
Energy: 0.2421784129039103
Energy: 0.20825869662884133
Energy: 0.24808557340923768
Energy: 0.2300880069930421
Energy: 0.24944441363695738
Energy: 0.2296023071177461
Energy: 0.248515130874427
Energy: 0.2417551504427086
Energy: 0.23028155594564528
Energy: 0.24996807685134662
Energy: 0.242486778312471
Energy: 0.2354457822084982
Energy: 0.2353966291584211
Energy: 0.24239794478380752
Energy: 0.19803078887735673
Energy: 0.22767560472339948
Energy: 0.2653742786292756
Energy: 0.2359695241577738
Energy: 0.2431137432703294
Energy: 0.24858162952603993
Energy: 0.20890496671158457
Energy: 0.24440608863435012
Energy: 0.2315071653516321
Energy: 0.22911089761256692
Energy: 0.22595198264252833
Energy: 0.2314939204003716
Energy: 0.22927886180528173
Energy: 0.23166476291062882
Energy: 0.2382734114112698
Energy: 0.23866544641005402
Energy: 0.23927805124404794
Energy: 0.20237437980189818
Energy: 0.24214525082209593
Energy: 0.22834833214669967
Energy: 0.21584310116785552
Energy: 0.24261679539015202
Energy: 0.24304915972097144
Energy: 0.21617072315438468
Energy: 0.24299955899713088
Energy: 0.21162087611742522
Energy: 0.2125326813371255
Energy: 0.22341459144641068
Energy: 0.2312432714648129
Energy: 0.21254706187914443
Energy: 0.19790765518530698
Energy: 0.22212992819467203
Energy: 0.24048246474025634
Energy: 0.22022498255803832
Energy: 0.23323362357518929
Energy: 0.21369949033243602
Energy: 0.20300084740452154
Energy: 0.23310209415238112
Energy: 0.23908191797862496
Energy: 0.20329254837313457
Energy: 0.20192405977548433
Energy: 0.239413371533003
Energy: 0.20530539768917427
Energy: 0.20171336578763358
Energy: 0.23561710128682306
Energy: 0.22851372359473185
Energy: 0.22774368474436843
Energy: 0.22788533167460331
Energy: 0.23477033866793598
Energy: 0.22791652598942536
Energy: 0.20090196071319258
Energy: 0.22755493368110766
Energy: 0.22682649810933692
Energy: 0.20117898404904416
Energy: 0.22852208782516514
Energy: 0.1964702697627192
Energy: 0.1968790035891765
Energy: 0.22478710347495326
Energy: 0.22517849515953195
Energy: 0.1968941895167543
Energy: 0.19933705751069064
Energy: 0.22523113835874292
Energy: 0.23256129378178803
Energy: 0.210256959502148
Energy: 0.2244578674264691
Energy: 0.19899302821116513
Energy: 0.20912379847230594
Energy: 0.22510313065132523
Energy: 0.23513196398858976
Energy: 0.201817902735271
Energy: 0.19649616157769798
Energy: 0.23564060730841987
Energy: 0.20004021777900116
Energy: 0.19653519897951663
Energy: 0.23481451138841958
Energy: 0.22874692672631705
Energy: 0.22767912252837694
Energy: 0.2342258636330348
Energy: 0.22790722703098346
Energy: 0.22683870218599356
Energy: 0.20553853343401485
Energy: 0.2291104071425293
Energy: 0.2284515873193742
Energy: 0.20461424188591465
Energy: 0.22631805632905216
Energy: 0.20192134228317843
Energy: 0.20188165425747004
Energy: 0.23295626200807268
Energy: 0.23335743324478125
Energy: 0.20186926723653956
Energy: 0.2331122049472873
Energy: 0.23270836550891422
Energy: 0.23711504812206025
Energy: 0.2123212994753195
Energy: 0.22449057944527087
Energy: 0.1992915408472382
Energy: 0.21207704170394853
Energy: 0.22659705305462818
Energy: 0.24801139802647307
Energy: 0.21234297430486287
Energy: 0.21173610981201
Energy: 0.24773479042804092
Energy: 0.21543083489604106
Energy: 0.21183930365905118
Energy: 0.24442246868926013
Energy: 0.2329170733416404
Energy: 0.23321991274798828
Energy: 0.24483352546940185
Energy: 0.2230845252242562
Energy: 0.24092902373621247
Energy: 0.22856277701539585
Energy: 0.23300501467313567
Energy: 0.23641806428418777
Energy: 0.22865669038281194
Energy: 0.2444237987503301
Energy: 0.23205802656698318
Energy: 0.21630374884977233
Energy: 0.2571219820764082
Energy: 0.2503787319271345
Energy: 0.2164494770480162
Energy: 0.25828324518208445
Energy: 0.24811252999685668
Energy: 0.23902740732005034
Energy: 0.24255825643581974
Energy: 0.2380266707823301
Energy: 0.20491615841405825
Energy: 0.24285989555129614
Energy: 0.22955883542658462
Energy: 0.23037917013075793
Energy: 0.24452718263703285
Energy: 0.24556016674855421
Energy: 0.23077677011966033
Energy: 0.24604233834085026
Energy: 0.2444232650723495
Energy: 0.24569705259622077
Energy: 0.23743693084737394
Energy: 0.23697534162898573
Energy: 0.24288920297644034
Energy: 0.2022375886159293
Energy: 0.237190183851344
Energy: 0.26000730578853254
Energy: 0.2381303722246921
Energy: 0.25179645917612165
Energy: 0.2482009369893435
Energy: 0.21333071523607428
Energy: 0.2648021976356599
Energy: 0.2266173897995497
Energy: 0.24652993929224365
Energy: 0.24407868410742337
Energy: 0.22669443726119473
Energy: 0.24549385136569177
Energy: 0.23659254412471897

minimum gb energy = 0.1964702697627192 eV
minimum distance =  2.64081992617278 Angstroms
sigma value = 67


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

Energy: 0.30655075909150686
Energy: 0.3045089973519582
Energy: 0.3024617840876236
Energy: 0.26288008671939994
Energy: 0.35356215410949743
Energy: 0.30448187095233403
Energy: 0.3092840904830029
Energy: 0.3055656145552412
Energy: 0.3070089373952957
Energy: 0.3064178852836903
Energy: 0.30457402613025497
Energy: 0.30926353847265153
Energy: 0.3149510409384319
Energy: 0.29782279909409326
Energy: 0.29352364389760177
Energy: 0.3042963506696907
Energy: 0.28366876700229215
Energy: 0.3030296898856115
Energy: 0.29534087618776933
Energy: 0.29815525987677094
Energy: 0.3022687449023325
Energy: 0.2958424347243134
Energy: 0.30033021717958475
Energy: 0.303998144043859
Energy: 0.2891621948811054
Energy: 0.3058680200649285
Energy: 0.3069916748397
Energy: 0.28933965215107477
Energy: 0.3046731384943257
Energy: 0.3080658311430576
Energy: 0.2904391210385886
Energy: 0.2973580545294005
Energy: 0.3013127694871649
Energy: 0.27303797090870774
Energy: 0.3044333705394595
Energy: 0.29499844150217286
Energy: 0.29743165629205154
Energy: 0.29690616607767717
Energy: 0.29877906380536934
Energy: 0.2975638519475714
Energy: 0.29768322148709864
Energy: 0.30064925523387875
Energy: 0.295061686472751
Energy: 0.2618349052850837
Energy: 0.2918858855441428
Energy: 0.2954464033705929
Energy: 0.26017050873752123
Energy: 0.29280869222686234
Energy: 0.30044866330755615
Energy: 0.30763847085151996
Energy: 0.3039895751271069
Energy: 0.29991912125427495
Energy: 0.2727706506772473
Energy: 0.3023999873615162
Energy: 0.3022209919472747
Energy: 0.2747299281445173
Energy: 0.2770029737784293
Energy: 0.3020339186155424
Energy: 0.27340801855240515
Energy: 0.28343027668418735
Energy: 0.3044360294637403
Energy: 0.2928048610032669
Energy: 0.2932352257792656
Energy: 0.26134438598711657
Energy: 0.29399849340562073
Energy: 0.29282880231843605
Energy: 0.2631469661625115
Energy: 0.2765846958865842
Energy: 0.2911155417256141
Energy: 0.2633708559688144
Energy: 0.27459472747184455
Energy: 0.2601956440104124
Energy: 0.26492451634127206
Energy: 0.2633683142779074
Energy: 0.2881027695306619
Energy: 0.26534308880848784
Energy: 0.2611871465899388
Energy: 0.26049876430722757
Energy: 0.2983682524920182
Energy: 0.28924536935890266
Energy: 0.28827862184748837
Energy: 0.2606219913639118
Energy: 0.27998053895469377
Energy: 0.28769897319976967
Energy: 0.29419127605098844
Energy: 0.2632121756315208
Energy: 0.264797665346705
Energy: 0.2942984951717839
Energy: 0.2617651139885461
Energy: 0.2609516736370581
Energy: 0.2948318851007
Energy: 0.29432303585587316
Energy: 0.2920855347886611
Energy: 0.27351041512800534
Energy: 0.28432033162321607
Energy: 0.29067174024008824
Energy: 0.2753989544837121
Energy: 0.2594529474910941
Energy: 0.28715427768309193
Energy: 0.27584068756777014
Energy: 0.2573377102893482
Energy: 0.27288837872908867
Energy: 0.27673517741022735
Energy: 0.302504908042878
Energy: 0.3041442675905342
Energy: 0.2769960987358552
Energy: 0.30358203375418646
Energy: 0.27267123408425364
Energy: 0.3000929131745291
Energy: 0.2992248761455985
Energy: 0.2970905015844029
Energy: 0.2653229293474322
Energy: 0.3017320984020381
Energy: 0.2974262568035149
Energy: 0.2996178749572589
Energy: 0.2951710617855115
Energy: 0.2984248455643279
Energy: 0.2982290239171198
Energy: 0.2947095948707489
Energy: 0.2974560370346805
Energy: 0.29453451098694033
Energy: 0.29495065673152737
Energy: 0.3061657220735308
Energy: 0.29486688377969295
Energy: 0.29670925306681606
Energy: 0.30760597667332706
Energy: 0.31492651127693183
Energy: 0.29909626666261957
Energy: 0.30554026218934466
Energy: 0.30387461193314413
Energy: 0.2802012529577046
Energy: 0.3065017460242173
Energy: 0.309188676559819
Energy: 0.29719740295692765
Energy: 0.29750427368349636
Energy: 0.3083501453358475
Energy: 0.29548967827626377
Energy: 0.3011487403004949

minimum gb energy = 0.2573377102893482 eV
minimum distance =  2.6322714610103 Angstroms
sigma value = 33


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

Energy: 0.3552606009472214
Energy: 0.35367956776991616
Energy: 0.3551283263557564
Energy: 0.31510578163710623
Energy: 0.3650746593564571
Energy: 0.3409503275166967
Energy: 0.33870359394676147
Energy: 0.32646578691254263
Energy: 0.30551977384058115
Energy: 0.3523676856610513
Energy: 0.32692192868887543
Energy: 0.32658770483365274
Energy: 0.36354427158350094
Energy: 0.32482743286043264
Energy: 0.33242520322727476
Energy: 0.3484448078705593
Energy: 0.3234700377478205
Energy: 0.3376536009890318
Energy: 0.3268633125771045
Energy: 0.33176515311597715
Energy: 0.33887811047764665
Energy: 0.32679972117877765
Energy: 0.3366379128678127
Energy: 0.3432137219289035
Energy: 0.32619198033234403
Energy: 0.30313767148140897
Energy: 0.35903788422439326
Energy: 0.32625247876448643
Energy: 0.3520761392942686
Energy: 0.3249018987125401
Energy: 0.33478806261786215
Energy: 0.30184377574114074
Energy: 0.30220678936960393
Energy: 0.3027099751654654
Energy: 0.3439667779733984
Energy: 0.32461645050856636
Energy: 0.3253858976784988
Energy: 0.30260312860112126
Energy: 0.3278736052561176
Energy: 0.3255638867685473
Energy: 0.3030823693136289
Energy: 0.32572141852352227
Energy: 0.32944639312853785
Energy: 0.3056814850124477
Energy: 0.3128284933857235
Energy: 0.32641403250992634
Energy: 0.30344349746052
Energy: 0.32341907060111014
Energy: 0.33450775120384424
Energy: 0.32411120032635127
Energy: 0.33762879681231256
Energy: 0.32525819709834997
Energy: 0.3028014826031676
Energy: 0.3356220371384503
Energy: 0.33518401084523214
Energy: 0.3042163946043134
Energy: 0.3022714440674081
Energy: 0.3354467680146922
Energy: 0.30231085427554033
Energy: 0.30209903647017716
Energy: 0.33534098294780085
Energy: 0.30296246558440476
Energy: 0.3296355783604738
Energy: 0.3027892893319756
Energy: 0.31913322650494175
Energy: 0.3283510966281384
Energy: 0.3065135049194519
Energy: 0.30194303492895846
Energy: 0.30218603852841935
Energy: 0.3067983513990004
Energy: 0.3105218747799324
Energy: 0.3022361808042038
Energy: 0.3053792664170078
Energy: 0.33552146362345275
Energy: 0.31600577577403055
Energy: 0.30573097970582624
Energy: 0.3260027233513031
Energy: 0.3018688489432593
Energy: 0.33556005435958636
Energy: 0.30493642944535965
Energy: 0.3348180006605792
Energy: 0.2952779944330739
Energy: 0.33721638911550383
Energy: 0.3285188703356854
Energy: 0.33984341925283884
Energy: 0.3295288716760678
Energy: 0.3286627010245387
Energy: 0.3397456225555132
Energy: 0.32706194333115496
Energy: 0.32625074556899025
Energy: 0.32301390941512426
Energy: 0.3300570154467086
Energy: 0.34467479114020316
Energy: 0.3232801967084181
Energy: 0.3078085974227948
Energy: 0.3280961418119056
Energy: 0.3606500779095212
Energy: 0.3115225034886303
Energy: 0.3253164915932668
Energy: 0.34451952287342036
Energy: 0.3092860862503352
Energy: 0.2961860611571092
Energy: 0.3652324105764912
Energy: 0.32733649775645873
Energy: 0.3069928206597245
Energy: 0.3514784251754669
Energy: 0.3268536634565022
Energy: 0.34764603616260153
Energy: 0.3305035159681842
Energy: 0.34379837561821464
Energy: 0.3406736848635892
Energy: 0.30938388591872745
Energy: 0.3438200724883848
Energy: 0.33596454813812143
Energy: 0.3385675113956837
Energy: 0.3277811189266869
Energy: 0.30512027757209104
Energy: 0.33894307088868486
Energy: 0.3282334194454473
Energy: 0.32623107923557887
Energy: 0.3623989455156309
Energy: 0.3391801527039469
Energy: 0.34447864229531405
Energy: 0.3488321698085978
Energy: 0.3302916962136776
Energy: 0.3421781054255221
Energy: 0.347664761325906
Energy: 0.3246405716053519
Energy: 0.33216626559174145
Energy: 0.34775088192523945
Energy: 0.3232340580271989
Energy: 0.33791438267622403
Energy: 0.3258252638297689
Energy: 0.3053787379801747
Energy: 0.32342195410947805
Energy: 0.32618156028405776
Energy: 0.3579153251432469
Energy: 0.3266641155397164
Energy: 0.3338176102168362
Energy: 0.3434000749749432
Energy: 0.3021090314803457
Energy: 0.3038654007391416
Energy: 0.34365424217075097
Energy: 0.3305596939909989
Energy: 0.3252206440751794
Energy: 0.32700911184047066
Energy: 0.32849609811852193
Energy: 0.32552070545764505
Energy: 0.3261956489986904
Energy: 0.34536809824087616
Energy: 0.32892895256228305
Energy: 0.30565697509536854
Energy: 0.3022549939066313
Energy: 0.32946978942581795
Energy: 0.30311116741055283
Energy: 0.30501228378950623
Energy: 0.33407857876724584
Energy: 0.30184064672454447
Energy: 0.32398277543877
Energy: 0.33673147352553967
Energy: 0.31021162558513926
Energy: 0.33599628585795127
Energy: 0.33507676254982594
Energy: 0.3044891590239509
Energy: 0.30227582851158563
Energy: 0.33522229841078083
Energy: 0.3024332207716777
Energy: 0.3019586857773636
Energy: 0.3355055278126913
Energy: 0.31951450811427196
Energy: 0.3299263729780018
Energy: 0.3033514203248022
Energy: 0.31786647058823614
Energy: 0.32903996221751725
Energy: 0.3015399369865789
Energy: 0.3016486312987322
Energy: 0.30248334367678253
Energy: 0.301665620835384
Energy: 0.3081829871476017
Energy: 0.3020216646772073
Energy: 0.30361756848710797
Energy: 0.3347248278068423
Energy: 0.3022065635574097
Energy: 0.30402504386395723
Energy: 0.305451662183491
Energy: 0.3020630600349952
Energy: 0.3353018762138229
Energy: 0.30500601230338037
Energy: 0.3373277409567307
Energy: 0.2952772322474653
Energy: 0.3357978186063279
Energy: 0.3274232436662128
Energy: 0.3405390404976135
Energy: 0.32940748378727297
Energy: 0.3284997844189134
Energy: 0.33891713521994216
Energy: 0.3274403688624917
Energy: 0.32569069590811106
Energy: 0.3235642403021423
Energy: 0.33215789163620874
Energy: 0.32952352906928906
Energy: 0.32355888263241306
Energy: 0.30784463624981945
Energy: 0.329100147689371
Energy: 0.3836961003867429
Energy: 0.31222952273027693
Energy: 0.3258587533353956
Energy: 0.3469265129138455
Energy: 0.295508765167797
Energy: 0.2958566249916079
Energy: 0.3647422455004334
Energy: 0.3286729052644045
Energy: 0.30600275864158705
Energy: 0.3573572485613349
Energy: 0.32766300951502075
Energy: 0.3256306318756155
Energy: 0.3309795987473726
Energy: 0.34427193283402663
Energy: 0.34083968877709675
Energy: 0.3078782929218662
Energy: 0.3440734531066087
Energy: 0.33547588108994186

minimum gb energy = 0.2952772322474653 eV
minimum distance =  2.65821904237217 Angstroms
sigma value = 41


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

Energy: 0.49568338575769644
Energy: 0.40220268083159527
Energy: 0.40221422854742134
Energy: 0.3564214794343843
Energy: 0.3717723975784655
Energy: 0.35472062195440685
Energy: 0.38194473401695506
Energy: 0.3735900876227052
Energy: 0.3758314553754927
Energy: 0.3722970759730601
Energy: 0.3733521015128382
Energy: 0.360915150123527
Energy: 0.42696049567575256
Energy: 0.3534386798992392
Energy: 0.3525135700877487
Energy: 0.3739547173291515
Energy: 0.36670982520693113
Energy: 0.35312504729339694
Energy: 0.373857283584177
Energy: 0.35355093183177966
Energy: 0.3528812879072392
Energy: 0.37399538471904065
Energy: 0.3661954520620009
Energy: 0.3678974803968371
Energy: 0.3657798599441576
Energy: 0.37410369936750504
Energy: 0.36161183754737464
Energy: 0.3660308356213591
Energy: 0.37360483535030253
Energy: 0.35371635676957547
Energy: 0.37261805840890216
Energy: 0.375175084812948
Energy: 0.3534409453742968
Energy: 0.3675344673789881
Energy: 0.37503501351924884
Energy: 0.35326503197595854
Energy: 0.36527901766930665
Energy: 0.36143264477763554
Energy: 0.3605167074916588
Energy: 0.3654067430871971
Energy: 0.3544634043121074
Energy: 0.3544031622650539
Energy: 0.3663413330071886
Energy: 0.3539109691226823
Energy: 0.3537541030489228
Energy: 0.3668573744482933
Energy: 0.3551470618878974
Energy: 0.3754285139185442
Energy: 0.3879099408915941
Energy: 0.35470796595918996
Energy: 0.3535158532076714
Energy: 0.38909669349294435
Energy: 0.3634642310862418
Energy: 0.35327632320845126
Energy: 0.3770346247868296
Energy: 0.36729697671530187
Energy: 0.35555535876920125
Energy: 0.36959247574001725
Energy: 0.36537784354700803
Energy: 0.3533393584039735
Energy: 0.36995992817857354
Energy: 0.36091587286234167
Energy: 0.3549744755126007
Energy: 0.3560588004681625
Energy: 0.3468445002018092
Energy: 0.35513424445602704
Energy: 0.4199341549532772
Energy: 0.3516224197142932
Energy: 0.3466771098598311
Energy: 0.42038996352921115
Energy: 0.350210212790772
Energy: 0.3717811630987017
Energy: 0.42599851895716545
Energy: 0.366455217305053
Energy: 0.3608680440060877
Energy: 0.3722868522585179
Energy: 0.36787131321018707
Energy: 0.36056681205903546
Energy: 0.34743097287044283
Energy: 0.37383216880499415
Energy: 0.34963557737198914
Energy: 0.34855849989510507
Energy: 0.37395507209722184
Energy: 0.34740268050124423

minimum gb energy = 0.3466771098598311 eV
minimum distance =  2.64984119264307 Angstroms
sigma value = 11


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

Energy: 0.427615169061027
Energy: 0.5261008005371638
Energy: 0.40822439288722523
Energy: 0.4224481160814891
Energy: 0.41740958958588664
Energy: 0.4083476518688582
Energy: 0.4628380509615896
Energy: 0.4066265048830892
Energy: 0.4072778314000424
Energy: 0.4116782543135214
Energy: 0.40600473977903423
Energy: 0.4173017043372823
Energy: 0.48641912707467605
Energy: 0.4118990667446152
Energy: 0.4104387038089967
Energy: 0.4183465216932703
Energy: 0.40704270186751845
Energy: 0.41182183171342895
Energy: 0.42059848682457385
Energy: 0.40439302465391724
Energy: 0.4117978113809157
Energy: 0.41017976453376304
Energy: 0.4031830334728338
Energy: 0.4197682645446575
Energy: 0.4205039724732259
Energy: 0.4075239357971748
Energy: 0.40757005578401084
Energy: 0.41465298975471554
Energy: 0.40874240709914433
Energy: 0.4227860706403395
Energy: 0.43248035273209545
Energy: 0.4114431519984871
Energy: 0.4080408405222836
Energy: 0.40511619399506976
Energy: 0.4168752872290624
Energy: 0.4128830961168312
Energy: 0.418894481856543
Energy: 0.413849248023264
Energy: 0.4134085092880066
Energy: 0.41946742375640517
Energy: 0.40915933978912633
Energy: 0.4142527656512776
Energy: 0.4140301638106483
Energy: 0.41578366892166596
Energy: 0.4212732464415401
Energy: 0.4077923858007636
Energy: 0.40726814265388156
Energy: 0.4098566379976722
Energy: 0.40450478711764976
Energy: 0.42184375084745673
Energy: 0.4096168051719989
Energy: 0.4016886863740448
Energy: 0.41345497567846395
Energy: 0.40329417213732854
Energy: 0.4046088704123987
Energy: 0.42147446967428814
Energy: 0.4093474312874985
Energy: 0.40156131644935905
Energy: 0.4168983786461371
Energy: 0.4026436348551784
Energy: 0.4142652248516391
Energy: 0.41045950349535604
Energy: 0.4232668061371447
Energy: 0.40749023658261796
Energy: 0.41082379612831255
Energy: 0.4092390581141793
Energy: 0.4070350586010528
Energy: 0.4058733980311686
Energy: 0.4091333225837104
Energy: 0.4071862998789425
Energy: 0.41000835289260174
Energy: 0.4194688603122488
Energy: 0.4059523875121109
Energy: 0.4120479888334351
Energy: 0.421275920594916
Energy: 0.40605205500673647
Energy: 0.4093654940591709
Energy: 0.4189242842231632
Energy: 0.41675511604060483
Energy: 0.416490913699012
Energy: 0.41304613411304236
Energy: 0.40393611377624794
Energy: 0.4874928346562105
Energy: 0.40997439233322136
Energy: 0.40188676673409923
Energy: 0.4200070610900159
Energy: 0.4202788464178701
Energy: 0.40504955552951155
Energy: 0.41108068307591045
Energy: 0.4186308513401983
Energy: 0.40290212562243183
Energy: 0.42142685838236904
Energy: 0.41967871986073346
Energy: 0.40268968312528985
Energy: 0.41179258998432744
Energy: 0.4024113611512859
Energy: 0.4016646326324569
Energy: 0.41481614613142365
Energy: 0.41507657447135277
Energy: 0.4019818885704762
Energy: 0.4124969571050107
Energy: 0.41443438257754117
Energy: 0.4263724345479221
Energy: 0.43048754540685635
Energy: 0.42650931385675533
Energy: 0.4090506657540378
Energy: 0.4300474231959219
Energy: 0.41010055284970726
Energy: 0.4108013217038719
Energy: 0.41018328871108706
Energy: 0.41517283150973505
Energy: 0.41236475149928375
Energy: 0.408183538173226
Energy: 0.4136535503175653
Energy: 0.41871130516004207
Energy: 0.4155695271437836
Energy: 0.40964730952791034
Energy: 0.4107981293165556
Energy: 0.4039911877099619
Energy: 0.4107010560049169
Energy: 0.44431222971555345
Energy: 0.40257592363614303
Energy: 0.4125618673396228
Energy: 0.4102660359405848
Energy: 0.4036793326218099
Energy: 0.4179387638119846
Energy: 0.42147290131825593
Energy: 0.4151530408549953
Energy: 0.4175583837344289
Energy: 0.4182942377104886
Energy: 0.41250434405229663
Energy: 0.4201985574540849
Energy: 0.4152446506067993
Energy: 0.4148744017874581
Energy: 0.4102075462493557
Energy: 0.4051803498431713
Energy: 0.4136443542360042
Energy: 0.4105129480776038
Energy: 0.44355317791060006
Energy: 0.4076326700326231
Energy: 0.4149171232907022
Energy: 0.4079737512041728
Energy: 0.41086718073285905
Energy: 0.41437523822746747
Energy: 0.44191421452913415
Energy: 0.40809170821953744
Energy: 0.41128762315685025
Energy: 0.44233924168954986
Energy: 0.41058651693679804
Energy: 0.4185171785160372
Energy: 0.4331957736407696
Energy: 0.4050060496402772
Energy: 0.41294559968750133
Energy: 0.40890846652021895
Energy: 0.40492721194682624
Energy: 0.41968930916241043
Energy: 0.43445175845895523
Energy: 0.4053602408628609
Energy: 0.40248700858788167
Energy: 0.41046593716778285
Energy: 0.40296722689059655
Energy: 0.4177457131404071
Energy: 0.4288045064346496
Energy: 0.40664448175058643
Energy: 0.4173383634002432
Energy: 0.4097245077631862
Energy: 0.4051946730624584
Energy: 0.4196458836386682
Energy: 0.44902368536699194
Energy: 0.41019187933177365
Energy: 0.4090364523597012
Energy: 0.4158643183546968
Energy: 0.40935942104153766
Energy: 0.41769185625611854
Energy: 0.47955872805270217
Energy: 0.4061561817888095
Energy: 0.4091592654373271
Energy: 0.4160921967792371
Energy: 0.4058099780426085
Energy: 0.42048650472581484
Energy: 0.4221452774157461
Energy: 0.4087877421926096
Energy: 0.4088748414398136
Energy: 0.4104501033605843
Energy: 0.4075372356203108
Energy: 0.4100300120782061

minimum gb energy = 0.40156131644935905 eV
minimum distance =  2.6372668054424 Angstroms
sigma value = 57


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

Energy: 0.5665677443247709
Energy: 0.462988291012341
Energy: 0.46377868295618313
Energy: 0.4634070065913069
Energy: 0.6094479048680498
Energy: 0.4205868009634951
Energy: 0.39717350494059006
Energy: 0.40725887941502215
Energy: 0.4059923891009452
Energy: 0.4079214027183458
Energy: 0.40809304288707454
Energy: 0.4064262388772019
Energy: 0.4365403445059752
Energy: 0.40425641698914017
Energy: 0.40605959883244175
Energy: 0.4347873954710298
Energy: 0.41124551798387576
Energy: 0.40643950546487473
Energy: 0.41210428540539334
Energy: 0.40727630492887434
Energy: 0.4058678359796208
Energy: 0.4118730507058313
Energy: 0.41085750283942685
Energy: 0.4054036065060206
Energy: 0.42205246751369924
Energy: 0.4075232752209934
Energy: 0.4064241850036928
Energy: 0.4120371034176195
Energy: 0.41168646565246075
Energy: 0.4055364254929429
Energy: 0.41225708049555354
Energy: 0.40657770497712153
Energy: 0.406703918344665
Energy: 0.4068745597363044
Energy: 0.435261373047398
Energy: 0.40596707559046674
Energy: 0.43376756003679917
Energy: 0.4218545715023803
Energy: 0.4216402655218109
Energy: 0.43431329652081935
Energy: 0.4215405129580966
Energy: 0.4194416627314364
Energy: 0.45341842380890607
Energy: 0.41252438187345597
Energy: 0.4061206775098639
Energy: 0.4128153081935069
Energy: 0.4201441564873424
Energy: 0.4057228788832297
Energy: 0.39803582013994554
Energy: 0.41205462653559977
Energy: 0.39876945414404735
Energy: 0.3992313813825351
Energy: 0.4118168672557575
Energy: 0.398082120514897
Energy: 0.4184568482291238
Energy: 0.41189180407262105
Energy: 0.39772702062340337
Energy: 0.3988844145098845
Energy: 0.41151771879471605
Energy: 0.397862827509239
Energy: 0.4533136973790167
Energy: 0.4131394999866827
Energy: 0.40701818416360985
Energy: 0.41293800739325914
Energy: 0.4127356233332669
Energy: 0.40572008445774177
Energy: 0.4291419599210847
Energy: 0.4192515102548066
Energy: 0.410945674155917
Energy: 0.4294368648519704
Energy: 0.42122692860413774
Energy: 0.40688111833483637
Energy: 0.4168994608668829
Energy: 0.40678332262581385
Energy: 0.40698735338319436
Energy: 0.408609374491434
Energy: 0.4085621888044045
Energy: 0.40570656622770085
Energy: 0.41252770505320374
Energy: 0.4414164206582412
Energy: 0.41188745443358904
Energy: 0.40645649928881944
Energy: 0.4359831771259999
Energy: 0.4108094829742417
Energy: 0.41829781125989396
Energy: 0.3977435033872762
Energy: 0.40611821730772324
Energy: 0.41910381412537856
Energy: 0.4206237674674584
Energy: 0.4055608719203278
Energy: 0.43889163973724404
Energy: 0.41991037653658575
Energy: 0.3969393652185905
Energy: 0.4117768678517922
Energy: 0.42104895762142247
Energy: 0.40631797697242145
Energy: 0.3971364153743775
Energy: 0.4074267255076777
Energy: 0.40601472370326197
Energy: 0.39735877850090406
Energy: 0.41437671646468366
Energy: 0.40613131393117224

minimum gb energy = 0.3969393652185905 eV
minimum distance =  2.65021590658869 Angstroms
sigma value = 9


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

Energy: 0.6899061089906022
Energy: 0.45474316964050304
Energy: 0.4431480916803069
Energy: 0.4356200569922135
Energy: 0.462803692989019
Energy: 0.47440711284942394
Energy: 0.4899677191081878
Energy: 0.43455494085406954
Energy: 0.43414008737996035
Energy: 0.4392078727282998
Energy: 0.4453875848081744
Energy: 0.4351441512439266
Energy: 0.4384151821064684
Energy: 0.436512575232789
Energy: 0.4363678340707432
Energy: 0.4295460702724558
Energy: 0.4391168179943562
Energy: 0.4347020700198963
Energy: 0.4352614453948698
Energy: 0.4331941607522822
Energy: 0.43845058425355915
Energy: 0.43252518624388886
Energy: 0.4323759872136843
Energy: 0.44006311419318883
Energy: 0.4564132371935842
Energy: 0.42431804753951674
Energy: 0.42666975349073055
Energy: 0.4221627136629283
Energy: 0.42257651123724427
Energy: 0.42849465847173346
Energy: 0.4386240814255572
Energy: 0.43286768208509524
Energy: 0.4317684578027552
Energy: 0.4386003629373036
Energy: 0.43453483198973053
Energy: 0.43162828816822146
Energy: 0.43824520817078244
Energy: 0.43216490791540524
Energy: 0.4384453921117872
Energy: 0.4210702195541509
Energy: 0.43314296326376567
Energy: 0.43608958881499094
Energy: 0.44592652838939084
Energy: 0.43530955198768007
Energy: 0.43416912879593617
Energy: 0.4334562246371464
Energy: 0.4330114834658502
Energy: 0.43480035548058993
Energy: 0.4548722462595873
Energy: 0.4235587213233131
Energy: 0.42584328948183137
Energy: 0.4422526413015724
Energy: 0.42372294819670125
Energy: 0.43960604442121676
Energy: 0.4458020593149404
Energy: 0.423571488139276
Energy: 0.4261348705225013
Energy: 0.44690575199384147
Energy: 0.43012455099820474
Energy: 0.42494257273900826
Energy: 0.45101516699529454
Energy: 0.4291138766430945
Energy: 0.42818132165973116
Energy: 0.432389010998336
Energy: 0.4311143447700145
Energy: 0.43190617151833016
Energy: 0.4491465470277592
Energy: 0.4378708203002423
Energy: 0.4361551967969185
Energy: 0.44249957490894404
Energy: 0.4381224623265707
Energy: 0.43527459907900407
Energy: 0.4555352522793702
Energy: 0.4329130811479664
Energy: 0.43367026969049977
Energy: 0.43557967986188084
Energy: 0.4330641940589652
Energy: 0.4311744345736569
Energy: 0.44389982752101703
Energy: 0.43595138916540394
Energy: 0.43800264181115717
Energy: 0.4422584329992885
Energy: 0.4343131025141483
Energy: 0.4395747900036403
Energy: 0.44592692979189036
Energy: 0.4392135358505976
Energy: 0.4374748971718264
Energy: 0.4387618729641212
Energy: 0.43967434959701585
Energy: 0.4242318153968055
Energy: 0.438691805906919
Energy: 0.441816694644955
Energy: 0.42802544144715565
Energy: 0.43016344632594855
Energy: 0.4405878203964344
Energy: 0.42544798273090567
Energy: 0.43937693530766686
Energy: 0.43795493168589306
Energy: 0.44041349578203154
Energy: 0.4332520340339042
Energy: 0.4320162974663199
Energy: 0.43783407455694306
Energy: 0.49309721743804286
Energy: 0.43362536897116066
Energy: 0.42482384731207945
Energy: 0.42492865354680875
Energy: 0.43330903432962314
Energy: 0.42479671751422415
Energy: 0.4474063677080617
Energy: 0.4391200436320339
Energy: 0.436556709559167
Energy: 0.44436555745341844
Energy: 0.4479249276839438
Energy: 0.4349211019185098
Energy: 0.43876867597868646
Energy: 0.43974087224503006
Energy: 0.4369171542571463
Energy: 0.42158390800966505
Energy: 0.441825146865399
Energy: 0.4348499704115005
Energy: 0.4411403481118725
Energy: 0.42332494086614564
Energy: 0.4348062749884067
Energy: 0.4317332178408344
Energy: 0.440276810403836
Energy: 0.4366200503166706

minimum gb energy = 0.4210702195541509 eV
minimum distance =  2.61213570104945 Angstroms
sigma value = 27


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

Energy: 0.6277455773569517
Energy: 0.4258804218682133
Energy: 0.4178927707494857
Energy: 0.4250451932291905
Energy: 0.6239213701185387
Energy: 0.4354232695945865
Energy: 0.43080986689402534
Energy: 0.4241833841675947
Energy: 0.4244900119857247
Energy: 0.42909492157089474
Energy: 0.437921643668825
Energy: 0.42169795041182334
Energy: 0.43620251615508276
Energy: 0.42935849122649183
Energy: 0.4287845681003007
Energy: 0.42136133559464306
Energy: 0.41974482585231165
Energy: 0.4466243243860012
Energy: 0.42997242253461904
Energy: 0.42233821790203274
Energy: 0.4271455444877285
Energy: 0.42685891970943596
Energy: 0.42234416846391903
Energy: 0.42617914723252087
Energy: 0.4377153363326156
Energy: 0.42306251077950163
Energy: 0.42246784864620884
Energy: 0.4223801783198484
Energy: 0.42375823413025415
Energy: 0.42326701812220696
Energy: 0.43892948568533957
Energy: 0.4269869107707956
Energy: 0.42608830713848445
Energy: 0.4285552898990396
Energy: 0.4282274091484562
Energy: 0.4259045049992519
Energy: 0.42926271709776687
Energy: 0.4376837927726329
Energy: 0.4296538434554332
Energy: 0.42891019713228784
Energy: 0.4242144301220702
Energy: 0.4292135539476615
Energy: 0.439350798333792
Energy: 0.4306616722837995
Energy: 0.43210882860528155
Energy: 0.4323290163246871
Energy: 0.42307094120598204
Energy: 0.4311593935712181
Energy: 0.4379354117067466
Energy: 0.4220251806460016
Energy: 0.4336260662146722
Energy: 0.429809769795226
Energy: 0.43052642663577445
Energy: 0.42102697583848203
Energy: 0.4385065213167149
Energy: 0.43073743337929604
Energy: 0.43009237291824426
Energy: 0.43170967330971627
Energy: 0.4331013310931647
Energy: 0.4292880890005275
Energy: 0.44256329025833674
Energy: 0.4337625341928082
Energy: 0.43199778339948636
Energy: 0.43194227210020814
Energy: 0.41781887486539043
Energy: 0.43114897757850495
Energy: 0.44515097166483375
Energy: 0.4322528384922148
Energy: 0.4319426522163991
Energy: 0.43719963337283957
Energy: 0.43100999775484977
Energy: 0.4318622545362667
Energy: 0.4737599612521479
Energy: 0.4321649944388015
Energy: 0.43062461144299313
Energy: 0.4325509618478796
Energy: 0.43409130073238256
Energy: 0.42807979776940913
Energy: 0.47115127892177916
Energy: 0.43083058672863406
Energy: 0.43040624111231024
Energy: 0.4287477280109887
Energy: 0.43154362127395945
Energy: 0.4308337124143564
Energy: 0.44161654480652845
Energy: 0.4302695627637875
Energy: 0.42901642484154745
Energy: 0.43004834603605757
Energy: 0.43220250809494243
Energy: 0.42816924731266254
Energy: 0.43302043515905475
Energy: 0.4261106695507516
Energy: 0.42689698115507047
Energy: 0.42678139185610797
Energy: 0.4320153104463669
Energy: 0.42600485324837734
Energy: 0.4440939768219678
Energy: 0.4345282040462269
Energy: 0.4344165729140404
Energy: 0.41888845091997223
Energy: 0.43659496564629785
Energy: 0.42875488291257374
Energy: 0.4417037338813685
Energy: 0.4295962920084084
Energy: 0.42792987672708893
Energy: 0.4299355783854298
Energy: 0.43061593095217066
Energy: 0.4275804038073881
Energy: 0.4310416125837279
Energy: 0.42540607447056733
Energy: 0.4237811782919331
Energy: 0.431028320496206
Energy: 0.4275545275227299
Energy: 0.42433048370054355
Energy: 0.4292509035253564
Energy: 0.4255570911114428
Energy: 0.4236412280453159
Energy: 0.42131981306799
Energy: 0.42279169384066634
Energy: 0.42422850216713587
Energy: 0.49049224299494343
Energy: 0.4216101835224988
Energy: 0.42122945054526195
Energy: 0.43165917415332067
Energy: 0.4215470341956122
Energy: 0.4196976451665534
Energy: 0.4361806792260052
Energy: 0.4216022318837537
Energy: 0.42438431007052607
Energy: 0.4302894330423207
Energy: 0.4218698378294808
Energy: 0.42505449026493247
Energy: 0.4427688077280239
Energy: 0.4280104790890001
Energy: 0.4261581498805235
Energy: 0.43300246971091855
Energy: 0.4319880715868815
Energy: 0.4267017132234626
Energy: 0.4267321199127799
Energy: 0.4282480121567423
Energy: 0.4271720265000971
Energy: 0.42218360903459623
Energy: 0.42962842232140325
Energy: 0.4262849036099143
Energy: 0.4757100095767606
Energy: 0.4298152123613251
Energy: 0.4291729293084542
Energy: 0.41809918582927785
Energy: 0.4303566738312802
Energy: 0.41928312041525695

minimum gb energy = 0.41781887486539043 eV
minimum distance =  2.61933944804679 Angstroms
sigma value = 19


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

Energy: 0.665557897548713
Energy: 0.4044483701381958
Energy: 0.40837797437693546
Energy: 0.4177858565348273
Energy: 0.4147765087679315
Energy: 0.4083083751076451
Energy: 0.42661867585729446
Energy: 0.41451118651418895
Energy: 0.4132407074727413
Energy: 0.4144589126170446
Energy: 0.415645894314425
Energy: 0.4133977022723891
Energy: 0.4291520881540755
Energy: 0.41531476517476684
Energy: 0.41444282535949406
Energy: 0.41580725145999053
Energy: 0.417376153986197
Energy: 0.4142914089218681
Energy: 0.4282930495278151
Energy: 0.41377967394527976
Energy: 0.4140252723829425
Energy: 0.41517177573520947
Energy: 0.414222014728375
Energy: 0.41388499226992465
Energy: 0.4299462671871041
Energy: 0.41557826194519065
Energy: 0.4143631397791959
Energy: 0.4170422657271965
Energy: 0.4176193269618666
Energy: 0.4148022874993728
Energy: 0.4340324342071505
Energy: 0.43251061141214603
Energy: 0.43220633422255167
Energy: 0.4247495402154243
Energy: 0.4139226002374532
Energy: 0.4311098110445342
Energy: 0.42852429164212547
Energy: 0.4161604382297264
Energy: 0.41522109657299283
Energy: 0.4233397342972887
Energy: 0.4179200778509371
Energy: 0.4142630967397056
Energy: 0.42818391658932226
Energy: 0.41786525586724393
Energy: 0.4136435370710208
Energy: 0.4157157479675152
Energy: 0.4185853086562672
Energy: 0.4133832147695162
Energy: 0.42651792899386737
Energy: 0.4137097165229363
Energy: 0.41597143417487487
Energy: 0.41372312418616625
Energy: 0.4118147616281993
Energy: 0.41638055854913836
Energy: 0.42396799176713523
Energy: 0.41913313759489995
Energy: 0.41816353155109165
Energy: 0.4136632577705281
Energy: 0.4205066600864942
Energy: 0.41825903758767546
Energy: 0.4291659762315396
Energy: 0.40972500184197885
Energy: 0.40974213792333164
Energy: 0.4203539888052028
Energy: 0.4112095848817103
Energy: 0.40950592554598303
Energy: 0.42678463549342255
Energy: 0.419212428078867
Energy: 0.4085656864283848
Energy: 0.4055963074076967
Energy: 0.4139098875924486
Energy: 0.40870048330743297
Energy: 0.4369518199733316
Energy: 0.4140531492500435
Energy: 0.4153099815063308
Energy: 0.41333758796170333
Energy: 0.41564418622398563
Energy: 0.41563669308730683
Energy: 0.4492031275794425
Energy: 0.41808438378098756
Energy: 0.41655686998090496
Energy: 0.40792383215365224
Energy: 0.41930018644777034
Energy: 0.4150792512828568
Energy: 0.42642260989658815
Energy: 0.40964534948110476
Energy: 0.4122192257243922
Energy: 0.40269115926837473
Energy: 0.4093090420190546
Energy: 0.4093878427167905
Energy: 0.4272367210600856
Energy: 0.4086869449802515
Energy: 0.4093330312997969
Energy: 0.4064248884666911
Energy: 0.4106278244619244
Energy: 0.4083705228766808
Energy: 0.42866083364046714
Energy: 0.41533287301296873
Energy: 0.4180047773370001
Energy: 0.41271255860528033
Energy: 0.4196852275860803
Energy: 0.41836002456174554
Energy: 0.4384825005834451
Energy: 0.4065772344239268
Energy: 0.40872540522869044
Energy: 0.4127342282123196
Energy: 0.4056397291653009
Energy: 0.4089627591653432
Energy: 0.433100906810437
Energy: 0.4095510166320718
Energy: 0.40835901392235807
Energy: 0.42120820008005266
Energy: 0.409817619806838
Energy: 0.42135338739964545
Energy: 0.4274661619054637
Energy: 0.40960533146676836
Energy: 0.40944512752994117
Energy: 0.4171281997843247
Energy: 0.40843352147482154
Energy: 0.42146671632314775
Energy: 0.4169674450820782
Energy: 0.40700986715346216
Energy: 0.4094649025865383
Energy: 0.4094692226062312
Energy: 0.40579899557199994
Energy: 0.41024011581934333
Energy: 0.4153890947362202
Energy: 0.4075869533727931
Energy: 0.4075904458076834
Energy: 0.41592498921438625
Energy: 0.40555551247933636
Energy: 0.40776814118685634
Energy: 0.4249803340330339
Energy: 0.4168458580474659
Energy: 0.4166855237775114
Energy: 0.42366715859043197
Energy: 0.41697199521169237
Energy: 0.41314563290589557
Energy: 0.42913974145886696
Energy: 0.4080298738680988
Energy: 0.4100743958924351
Energy: 0.4195851172425443
Energy: 0.406592948917625
Energy: 0.4105248647886486
Energy: 0.43532436942996383
Energy: 0.40483841739386317
Energy: 0.4071114659371741
Energy: 0.40944612384924417
Energy: 0.40353611535579914
Energy: 0.4096323374389899
Energy: 0.43165255024205657
Energy: 0.4128443610570825
Energy: 0.41315540444072085
Energy: 0.41783859549409763
Energy: 0.4132794638953138
Energy: 0.41322205560668346
Energy: 0.43017089569391
Energy: 0.41473713176990185
Energy: 0.4163706143251382
Energy: 0.4212566140811475
Energy: 0.4136139794130111
Energy: 0.4161451292215942
Energy: 0.42878768049318844
Energy: 0.41432669792341864
Energy: 0.41412468904116206
Energy: 0.4124131514526712
Energy: 0.41492532881177085
Energy: 0.41373454035677737
Energy: 0.4433116040682762
Energy: 0.4377165005989464
Energy: 0.4373861779888341
Energy: 0.40737323847141904
Energy: 0.43819389412900517
Energy: 0.42027135526616155

minimum gb energy = 0.40269115926837473 eV
minimum distance =  2.62201096910927 Angstroms
sigma value = 101


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

Energy: 0.6074522279343282
Energy: 0.4052814613057926
Energy: 0.40439595729514055
Energy: 0.3990692121907401
Energy: 0.40407655605534554
Energy: 0.39355513487059224
Energy: 0.4432592143754834
Energy: 0.40505784776540193
Energy: 0.4038797014499688
Energy: 0.39963673065646743
Energy: 0.39760044977991793
Energy: 0.403456408965148
Energy: 0.42474886957371344
Energy: 0.399298357421973
Energy: 0.4004187827677034
Energy: 0.3979062746988203
Energy: 0.3996673757195804
Energy: 0.39892293703526926
Energy: 0.41984571482138966
Energy: 0.4025165775942321
Energy: 0.4057602624772643
Energy: 0.3991967081177292
Energy: 0.4040970962032291
Energy: 0.4061540407108455
Energy: 0.40873993330638264
Energy: 0.39875332697795657
Energy: 0.39914488112195134
Energy: 0.4049287869315158
Energy: 0.3980189879813535
Energy: 0.4031725239881241
Energy: 0.41422894844565045
Energy: 0.40362116090471395
Energy: 0.40255954657149956
Energy: 0.4105074141624146
Energy: 0.40696650710017057
Energy: 0.40994533815569845
Energy: 0.422916685111945
Energy: 0.3975051861413172
Energy: 0.3996894266914872
Energy: 0.41257739504434415
Energy: 0.39802812518213837
Energy: 0.3994046814757812
Energy: 0.4178186105897377
Energy: 0.39938912947965316
Energy: 0.40053784253317226
Energy: 0.41106924657709515
Energy: 0.4080354580294923
Energy: 0.40185189442890845
Energy: 0.4025473924224686
Energy: 0.3978694488683885
Energy: 0.40001716850025015
Energy: 0.40051228724056487
Energy: 0.3970158218380971
Energy: 0.3985001013334253
Energy: 0.4096445334930031
Energy: 0.40990213884317617
Energy: 0.3999903065370717
Energy: 0.4041849926086657
Energy: 0.39942471106411115
Energy: 0.4002129085746048
Energy: 0.4221097382476575
Energy: 0.39785874942142774
Energy: 0.39725677830916184
Energy: 0.39853627229956157
Energy: 0.3934134750291658
Energy: 0.39564587134475465
Energy: 0.42496642198657375
Energy: 0.405292157693013
Energy: 0.40503910986409264
Energy: 0.4018488565370144
Energy: 0.4001945670162347
Energy: 0.40443588678058967
Energy: 0.41156147466382925
Energy: 0.39809886310324155
Energy: 0.39826110510578433
Energy: 0.39892648116428236
Energy: 0.3984136046500251
Energy: 0.40254529535880895
Energy: 0.4173930682315032
Energy: 0.40570296082522417
Energy: 0.40378671777470715
Energy: 0.3999905336707959
Energy: 0.3981901052240919
Energy: 0.4031275376924077
Energy: 0.4225639050454379
Energy: 0.39898239776744104
Energy: 0.3988818896200875
Energy: 0.39930802730753123
Energy: 0.3996290696084543
Energy: 0.39970638382167034
Energy: 0.42306981404039873
Energy: 0.40246941301225525
Energy: 0.4049188927246626
Energy: 0.40448656539714967
Energy: 0.4022477740715131
Energy: 0.4045923657591878
Energy: 0.4111639050341972
Energy: 0.4192268825764281
Energy: 0.40509526506040067
Energy: 0.3926192433914953
Energy: 0.4269093881549513
Energy: 0.3962788971885831
Energy: 0.44400063247716526
Energy: 0.3975671576609631
Energy: 0.39747302279969954
Energy: 0.40604276512724047
Energy: 0.39781172601485254
Energy: 0.4039072605631585
Energy: 0.42322144542013124
Energy: 0.40048907421707153
Energy: 0.4005946542870216
Energy: 0.3973446809509101
Energy: 0.4008670562241434
Energy: 0.4014214403128239
Energy: 0.4183810518610352
Energy: 0.40126262358693027
Energy: 0.40122012023347076
Energy: 0.39835318418477966
Energy: 0.40192148499224745
Energy: 0.40185995135899444
Energy: 0.4100121993178154
Energy: 0.3975470146871945
Energy: 0.398945665148322
Energy: 0.40508321711676265
Energy: 0.3975777434945459
Energy: 0.40242280963996874
Energy: 0.41833227395115
Energy: 0.4004017282523297
Energy: 0.40378633573739753
Energy: 0.4034717677314275
Energy: 0.39940821104742635
Energy: 0.39983200822243437
Energy: 0.4140490595296797
Energy: 0.40089725617385724
Energy: 0.40081078426820066
Energy: 0.4086788394974504
Energy: 0.4016650731160154
Energy: 0.4041958691914024
Energy: 0.4200161036484003
Energy: 0.3999171607145399
Energy: 0.3998897086648116
Energy: 0.4077253139348663
Energy: 0.4007152124189896
Energy: 0.40447406973118527
Energy: 0.4077309805338457
Energy: 0.40370980359381636
Energy: 0.4025623860376917
Energy: 0.4023886625090606
Energy: 0.39735303645211817
Energy: 0.40194975483296785
Energy: 0.40295511402229145
Energy: 0.40529256816046777
Energy: 0.40376964123395076
Energy: 0.40062473184887815
Energy: 0.40678041852775965
Energy: 0.40307619921142884
Energy: 0.42126562892811326
Energy: 0.39322430012789966
Energy: 0.3955029754322318
Energy: 0.4032381467161557
Energy: 0.3939305070309707
Energy: 0.3970244914686396
Energy: 0.4233374253856655
Energy: 0.3923508192130008
Energy: 0.3981989151577578
Energy: 0.39860058644144364
Energy: 0.394467468733572
Energy: 0.4021076017511851
Energy: 0.414684587650286
Energy: 0.39836262127395855
Energy: 0.403387622037681
Energy: 0.3997337892020005
Energy: 0.3983558968333802
Energy: 0.4007201071311065
Energy: 0.4129858842983013
Energy: 0.4017804036817821
Energy: 0.4066153455980251
Energy: 0.39957243570662015
Energy: 0.4015651180007872
Energy: 0.4060930796622795
Energy: 0.4237273816697361
Energy: 0.4023390813973934
Energy: 0.40145048769925334
Energy: 0.39791421764552826
Energy: 0.39921072948795056
Energy: 0.4019502014818149
Energy: 0.42304243141311676
Energy: 0.39935910457047286
Energy: 0.4030180853419834
Energy: 0.396839889095222
Energy: 0.4014650121959875
Energy: 0.4035297121018911
Energy: 0.41181247795604187
Energy: 0.40087017931639946
Energy: 0.40229274951589344
Energy: 0.39373725418952354
Energy: 0.40177215847756254
Energy: 0.401550929843287

minimum gb energy = 0.3923508192130008 eV
minimum distance =  2.60800700560887 Angstroms
sigma value = 33


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

Energy: 0.011537597186116329
Energy: 0.012057880636649343
Energy: 0.01192419163073168
Energy: 0.012544742290678607
Energy: 0.37433407595112766
Energy: 0.011826093679067841
Energy: 0.012016834807767817
Energy: 0.05472326583355115
Energy: 0.05408828923955637
Energy: 0.05629670070149558
Energy: 0.05554893227581136
Energy: 0.053909406393777795
Energy: 0.5140018150197089
Energy: 0.3728384023016864
Energy: 0.3724259765067134
Energy: 0.37558483857220504
Energy: 0.3742371763085864
Energy: 0.3726024880384254
Energy: 0.012016834807061028
Energy: 0.05472326583355115
Energy: 0.05408828924026316
Energy: 0.056296700701142184
Energy: 0.05554893227479045
Energy: 0.053909406393777795

minimum gb energy = 0.011537597186116329 eV
minimum distance =  2.82764420645837 Angstroms
sigma value = 1