Model name: model_name=Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.182049587368965
cohesive_energy=3.9027539519879038
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.3517549722169e-19, 2.8205518553253e-19, 3.2593880353778998e-19, 3.6495661110559198e-19, 3.9796144976599198e-19, 4.2357865196701797e-19, 4.42574058139722e-19, 4.5828500221272605e-19, 4.73678715312198e-19, 4.90339750129164e-19, 5.0855489628111e-19, 5.27455774032408e-19, 5.45834342201022e-19, 5.62714875216846e-19, 5.775974939700719e-19, 5.903091633842279e-19, 6.0080021598365995e-19, 6.091010931244139e-19, 6.15362399410086e-19, 6.197956221563639e-19, 6.22668324861126e-19, 6.243073515577079e-19, 6.250555680457859e-19, 6.2524142053533e-19, 6.251244616410479e-19, 6.2486490902634e-19, 6.243794495062379e-19, 6.2314417132142395e-19, 6.19933409346888e-19, 6.126995818443779e-19, 5.99000971623678e-19, 5.778442291717079e-19, 5.550724926726659e-19, 5.4851318153307e-19, 5.43552842674206e-19, 5.3461429923312e-19, 5.20527962266992e-19, 4.99241443507668e-19, 4.67503926564762e-19, 4.2121544143186797e-19, 3.55390014423978e-19, 2.63087016362604e-19, 1.349796964082418e-19, -4.1238424382526e-20, -2.81989496290536e-19, -6.1590073075911e-19, -1.086453599458374e-18, -1.75489611075288e-18, -2.7109629735596998e-18, -4.06081280947104e-18, -5.854241268271619e-18, -8.20689345940356e-18, -1.1568932951721838e-17, -1.7937649158937198e-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: 0.012723759939679453
Energy: 0.05033315682385692
Energy: 0.2211885205705188
Energy: 0.050672901398324144
Energy: 0.01451379915012895
Energy: 0.013616268187500873
Energy: 0.049939013371171195
Energy: 0.22018502541399987
Energy: 0.05022046034376581
Energy: 0.014142731982607543
Energy: 0.05072286843306323
Energy: 0.05178833879380587
Energy: 0.050065350756299774
Energy: 0.21743456768460004
Energy: 0.05155774614274154
Energy: 0.05047847211718976
Energy: 0.051744222996456465
Energy: 0.04991412660353868
Energy: 0.21692743850608853
Energy: 0.051882925629710204
Energy: 0.05222665760697141
Energy: 0.01413823906996083
Energy: 0.013021044497719075
Energy: 0.05081288632050695
Energy: 0.2164749480572663
Energy: 0.05184406434907826
Energy: 0.013884068996276292
Energy: 0.013084195673067869
Energy: 0.05056710547562932
Energy: 0.21820722724552796
Energy: 0.21793074308884916
Energy: 0.013462675753663564
Energy: 0.013441129202857883
Energy: 0.05144198279218118
Energy: 0.05044479525421991
Energy: 0.2197656467734767
Energy: 0.013624646948379346
Energy: 0.013258156556502915
Energy: 0.05184641723925382
Energy: 0.21906137894308952
Energy: 0.21841835756540826
Energy: 0.050790451676451756
Energy: 0.051861866005481594
Energy: 0.013608478863174097
Energy: 0.013300215697734848
Energy: 0.21658554231090854
Energy: 0.050530437397960044
Energy: 0.05220869804039623
Energy: 0.01385011360701365
Energy: 0.05196534657386898
Energy: 0.05237795250976246
Energy: 0.2149565507421356
Energy: 0.05132993319575503
Energy: 0.013515542243842837
Energy: 0.014597963149742675
Energy: 0.052957004287117124
Energy: 0.2156951470769744
Energy: 0.05157708489642141
Energy: 0.013798428647938723
Energy: 0.01510130350559945
Energy: 0.015047103098480319
Energy: 0.05207917606633542
Energy: 0.2166439522320999
Energy: 0.05058693931122132
Energy: 0.05165191547638764
Energy: 0.014811989482181147
Energy: 0.05240613489984906
Energy: 0.21731965329576133
Energy: 0.0512554494565353
Energy: 0.05154886269896579

minimum gb energy = 0.012723759939679453 eV
minimum distance =  2.91562533519845 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 0.504962598986443
Energy: 0.4051906922509006
Energy: 0.4052289742802321
Energy: 0.40185050230550456
Energy: 0.40171117893765634
Energy: 0.3960270879536451
Energy: 0.4003211489499603
Energy: 0.4054458301888531
Energy: 0.401463168133117
Energy: 0.3918535877664952
Energy: 0.36932018947273604
Energy: 0.46716929116493244
Energy: 0.4045192110559412
Energy: 0.3716297141554326
Energy: 0.31636657336457447
Energy: 0.31656628537631853
Energy: 0.46101734581743015
Energy: 0.41041912772241557
Energy: 0.3951868814204788
Energy: 0.39265519208862715
Energy: 0.39903200353635077
Energy: 0.4693591012875819
Energy: 0.43486324030701745
Energy: 0.36486880645214015
Energy: 0.3885415091463291
Energy: 0.31829215738597805
Energy: 0.46953990229361253
Energy: 0.3959802861401553
Energy: 0.3790526986785357
Energy: 0.38536922631398546
Energy: 0.3699178375499061
Energy: 0.38616203018603523
Energy: 0.42480625290058716
Energy: 0.355745862088676
Energy: 0.3887633847257193
Energy: 0.32233302635610994
Energy: 0.38254715246637083
Energy: 0.4250291153639038
Energy: 0.38054113803500755
Energy: 0.35991365406131254
Energy: 0.4421619721957023
Energy: 0.3888669424950039
Energy: 0.4316854367652693
Energy: 0.4550800077434006
Energy: 0.32268885632472794
Energy: 0.4265468198427892
Energy: 0.39586622341016575
Energy: 0.4144961061298394
Energy: 0.4739995680375572
Energy: 0.39011066121765126
Energy: 0.39587136795651506
Energy: 0.42113275998983624
Energy: 0.41095143401344125
Energy: 0.31657648069960237
Energy: 0.4631158023868176
Energy: 0.41652574363112627
Energy: 0.42235063226934694
Energy: 0.4136408610707277
Energy: 0.38368396267305666
Energy: 0.46837265661584415
Energy: 0.4377632980408131
Energy: 0.43411066903802237
Energy: 0.4613310855118201
Energy: 0.39934605040519
Energy: 0.4510329569591505
Energy: 0.4351506069664363
Energy: 0.45784618167075697
Energy: 0.45823790181787755
Energy: 0.39942884378125953
Energy: 0.44776379772716296
Energy: 0.4311868842434261
Energy: 0.40501651915447906
Energy: 0.4482489308495421
Energy: 0.40150715628779887
Energy: 0.4028480205280622
Energy: 0.4326966188643861
Energy: 0.40187518956410995
Energy: 0.42299524638329394
Energy: 0.40797631490641467
Energy: 0.4098827124928219
Energy: 0.40169094294523855
Energy: 0.3802137911427123
Energy: 0.3493231523705686
Energy: 0.4624151615179398
Energy: 0.41057004471981506
Energy: 0.4005864442421228
Energy: 0.38007118128085665
Energy: 0.40558525702421727
Energy: 0.46055578270761344
Energy: 0.4059575353121976
Energy: 0.4211878461504891
Energy: 0.3821443653958745
Energy: 0.31787516952576367
Energy: 0.36586843448568396
Energy: 0.4579502872433432
Energy: 0.3904689700911846
Energy: 0.38784592679791674
Energy: 0.31904374603489977
Energy: 0.40203219340190544
Energy: 0.4506820353023862
Energy: 0.44502154925557014
Energy: 0.3201850889250974
Energy: 0.39495657783257027
Energy: 0.3629250176018497
Energy: 0.3786697823877216
Energy: 0.43455892469280066
Energy: 0.36568823887349805
Energy: 0.38102637314289617
Energy: 0.37912388339530817
Energy: 0.41761068595307504
Energy: 0.44714382890211385
Energy: 0.3662207928093483
Energy: 0.3649072320789943
Energy: 0.42426996649198473
Energy: 0.42832945859342547
Energy: 0.46636062647409365
Energy: 0.31689220622767456
Energy: 0.3213099560364584
Energy: 0.4227475640864198
Energy: 0.4434240656248914
Energy: 0.3662007264188105
Energy: 0.4740579257408796
Energy: 0.41641575560347455
Energy: 0.44362404527226434
Energy: 0.4296200350373655
Energy: 0.3210913296681915
Energy: 0.47189506787158614
Energy: 0.3743755228669499
Energy: 0.43955112739010693
Energy: 0.4162891269554306
Energy: 0.4007359524176425
Energy: 0.3614498527486815
Energy: 0.45672929997581585
Energy: 0.4447204608922857
Energy: 0.45781323976808475
Energy: 0.31566806213898774
Energy: 0.3918352287867123
Energy: 0.436533546209416
Energy: 0.43587775787571964
Energy: 0.4469813154346787
Energy: 0.5043759051992435
Energy: 0.4056825779160778
Energy: 0.40634749880048165
Energy: 0.40134065528135426
Energy: 0.3974793755362358
Energy: 0.39503922477659764
Energy: 0.3961280315801743
Energy: 0.4060476063126568
Energy: 0.40375816815748733
Energy: 0.386421656104289
Energy: 0.3579771723569189
Energy: 0.45792844472955624
Energy: 0.40413060847371707
Energy: 0.37041315903857125
Energy: 0.3166100732978279
Energy: 0.3161967421764152
Energy: 0.4621993771753228
Energy: 0.4045672092680591
Energy: 0.3943764727416246
Energy: 0.365596697701604
Energy: 0.3993200896245498
Energy: 0.4592280280477561
Energy: 0.36530329282236673
Energy: 0.3937842600047259
Energy: 0.3884896000533559
Energy: 0.31833407032826416
Energy: 0.4595136499672608
Energy: 0.35414265637792774
Energy: 0.37969892167979985
Energy: 0.38513231023916733
Energy: 0.3695897913353229
Energy: 0.3814585755229638
Energy: 0.4581995943225096
Energy: 0.318193928446114
Energy: 0.3536220538004458
Energy: 0.3215539061808023
Energy: 0.34863347451408877
Energy: 0.45739783708370935
Energy: 0.379370837489745
Energy: 0.35392766727024416
Energy: 0.3722783001447415
Energy: 0.44202582159016757
Energy: 0.42153303959861643
Energy: 0.43692003505472454
Energy: 0.3210473427374914
Energy: 0.32398376423784964
Energy: 0.43957558885589487
Energy: 0.4156574652443023
Energy: 0.45542686161667933
Energy: 0.3560067334519917
Energy: 0.41400338675114745
Energy: 0.4300773543387142
Energy: 0.4148967784193438
Energy: 0.38798857190607006
Energy: 0.46529600168685875
Energy: 0.4123164536063886
Energy: 0.4298392339958997
Energy: 0.41538513876350497
Energy: 0.3982634787554576
Energy: 0.41670132964285184
Energy: 0.4504347727988876
Energy: 0.45645725505917034
Energy: 0.45618239646394665
Energy: 0.39764671289849496
Energy: 0.4518674164339276
Energy: 0.4363489698456212
Energy: 0.45719972625351263
Energy: 0.4569232663015022
Energy: 0.3974506727771915
Energy: 0.4486931156851965
Energy: 0.4298233652864809
Energy: 0.416115094381016
Energy: 0.4950655781847746
Energy: 0.4026384939223665
Energy: 0.40435095473441846
Energy: 0.40710867471186585
Energy: 0.40708484998487177
Energy: 0.4969168974567115
Energy: 0.401457371699125
Energy: 0.41259996186536546
Energy: 0.4366019666837747
Energy: 0.37999641668426687
Energy: 0.3449774125491712
Energy: 0.47767045881057946
Energy: 0.40715695506195687
Energy: 0.3990061450883316
Energy: 0.378667256312872
Energy: 0.3443690492668715
Energy: 0.46278172848443155
Energy: 0.40564081894487863
Energy: 0.3820686548164565
Energy: 0.38263723012991835
Energy: 0.31818070425632616
Energy: 0.3899935128723696
Energy: 0.45567629150621825
Energy: 0.38409390362446744
Energy: 0.3872526329274642
Energy: 0.3184064274619918
Energy: 0.42027240301973634
Energy: 0.4319564360462858
Energy: 0.44743184845145034
Energy: 0.3199082016262839
Energy: 0.39502951423471
Energy: 0.36248522147308443
Energy: 0.40394372236116427
Energy: 0.4342753319335758
Energy: 0.36863501000615095
Energy: 0.38387164222730963
Energy: 0.36797411834367355
Energy: 0.42411040451361465
Energy: 0.44642038196626505
Energy: 0.39033832678046426
Energy: 0.3569645182502262
Energy: 0.4241442614646773
Energy: 0.43729582548902074
Energy: 0.46320827954798965
Energy: 0.3166711684646996
Energy: 0.3203286764462564
Energy: 0.4220357556236012
Energy: 0.4441762074530139
Energy: 0.3744630477062225
Energy: 0.42318179263745226
Energy: 0.421392140890509
Energy: 0.4187678211216798
Energy: 0.41529507844918356
Energy: 0.32095988309717144
Energy: 0.4718868587575248
Energy: 0.37282412602592024
Energy: 0.4198350488287988
Energy: 0.4213626816534849
Energy: 0.40962395310969885
Energy: 0.3878850124300416
Energy: 0.457720151774683
Energy: 0.44693863679811147
Energy: 0.45582835239960895
Energy: 0.3785342143187672
Energy: 0.3916349409312039
Energy: 0.4378793574013077
Energy: 0.4388307715379515
Energy: 0.4480728631330906
Energy: 0.4439957031500748
Energy: 0.40567406632319325
Energy: 0.40863851714219496
Energy: 0.40739776704267383
Energy: 0.3962653809311881
Energy: 0.39489444929076406
Energy: 0.3985687864898089
Energy: 0.4065494083010983
Energy: 0.4044896950104811
Energy: 0.3862706725735107

minimum gb energy = 0.31566806213898774 eV
minimum distance =  2.71889265245642 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 0.6778015009141323
Energy: 0.4194418992816223
Energy: 0.3787745505663513
Energy: 0.3791915046369856
Energy: 0.4170047069891143
Energy: 0.3738127552276393
Energy: 0.45831737063134076
Energy: 0.3868357072232626
Energy: 0.3863207942771987
Energy: 0.4432657976718952
Energy: 0.4050371450046822
Energy: 0.3929656952227762
Energy: 0.38736360522890967
Energy: 0.3824083721166228
Energy: 0.37417932282678784
Energy: 0.3873231991893338
Energy: 0.3815409369228342
Energy: 0.3968368436302029
Energy: 0.39533251549631776
Energy: 0.3831970278484425
Energy: 0.414860530819977
Energy: 0.3889276354595906
Energy: 0.3811745886926614
Energy: 0.39000467102545144
Energy: 0.3878664717198583
Energy: 0.4062003139090007
Energy: 0.38553520157226007
Energy: 0.3803390598055217
Energy: 0.40170839860121943
Energy: 0.4010857020056868
Energy: 0.3965369385838485
Energy: 0.3891339016054148
Energy: 0.39947290964103493
Energy: 0.4004272057388021
Energy: 0.40334149468886754
Energy: 0.3989571579671962
Energy: 0.3953651656348751
Energy: 0.38165529227718903
Energy: 0.39513159688480715
Energy: 0.40310066520053256
Energy: 0.40018432297429907
Energy: 0.3913585941512917
Energy: 0.3775465583223432
Energy: 0.39811634438226234
Energy: 0.3948029967860865
Energy: 0.4032912488914155
Energy: 0.3932115153072283
Energy: 0.45589111518374714
Energy: 0.3866955933798746
Energy: 0.39891167931540755
Energy: 0.3667444366040721
Energy: 0.3892240898506351
Energy: 0.4069153428823483
Energy: 0.39349222829781605
Energy: 0.4002361704006924
Energy: 0.36642444385080974
Energy: 0.36970117581659023
Energy: 0.3965626468745138
Energy: 0.39740395636290143
Energy: 0.3904017635166932
Energy: 0.3778723272198488
Energy: 0.4102882527924666
Energy: 0.3957452689781486
Energy: 0.39844149893622877
Energy: 0.3859238018200992
Energy: 0.37210696882781813
Energy: 0.4035412289430173
Energy: 0.4000818338360292
Energy: 0.3930062080761589
Energy: 0.3908051073592094
Energy: 0.4022127606363394
Energy: 0.3936652035098631
Energy: 0.3855175376044948
Energy: 0.38171250547707136
Energy: 0.39280903634027725
Energy: 0.40246681126704154
Energy: 0.399044992282373
Energy: 0.384398366737528
Energy: 0.4209590323843086
Energy: 0.3944849082184594
Energy: 0.40272125003248443
Energy: 0.4057304632683827
Energy: 0.40543669989357944
Energy: 0.3864022416724593
Energy: 0.39234191652993383
Energy: 0.4007701789241826
Energy: 0.4014834193493443
Energy: 0.392824590133834
Energy: 0.39347454757833533
Energy: 0.39417228346372934
Energy: 0.3954853356268378
Energy: 0.3825271293545653
Energy: 0.38341982975473293
Energy: 0.4587593292180044
Energy: 0.38945885994677504
Energy: 0.3871977271813676
Energy: 0.3860512946284014
Energy: 0.3779958394375809
Energy: 0.4523363322941329
Energy: 0.3901396172820826
Energy: 0.3843479042802245
Energy: 0.3720382064032569
Energy: 0.38976893072620267
Energy: 0.3907782140840381
Energy: 0.38909406824301457
Energy: 0.37933854676381995
Energy: 0.3688399782534483
Energy: 0.39015318452683007
Energy: 0.3873335572296916
Energy: 0.38698904114189253
Energy: 0.38963536798230186
Energy: 0.4031526054401093
Energy: 0.411190026622144
Energy: 0.39187643711283254
Energy: 0.38974512045250476
Energy: 0.38812346865498126
Energy: 0.3929852377814778
Energy: 0.40045299907456183
Energy: 0.3831504120258904
Energy: 0.3876559796513982
Energy: 0.40103725407686913
Energy: 0.40392240862850726
Energy: 0.43175906090656696
Energy: 0.379878238866022
Energy: 0.4116249646412576
Energy: 0.37471149558836114
Energy: 0.38265891808378577
Energy: 0.4266289634798616
Energy: 0.3820621310910015
Energy: 0.4204563070184998
Energy: 0.38117451215781284
Energy: 0.39155036705734597
Energy: 0.4009025316173245
Energy: 0.3943252418984917
Energy: 0.39519453002274973
Energy: 0.3990808627737112
Energy: 0.3872794224354417
Energy: 0.387529302009001
Energy: 0.3747531412613374
Energy: 0.38845704864823843
Energy: 0.3872187055564072
Energy: 0.4036776015691187
Energy: 0.38927396493736693
Energy: 0.3708233284295522
Energy: 0.45622979282387677
Energy: 0.38882518528320753
Energy: 0.3823038073669788
Energy: 0.3826309816899973
Energy: 0.36741216115740655
Energy: 0.38306867659068283
Energy: 0.39903462920692173
Energy: 0.3780390185204551
Energy: 0.37742184407255003
Energy: 0.3895293580034628
Energy: 0.38795745557304073
Energy: 0.4546685345619046
Energy: 0.37338329268840176
Energy: 0.3837309589790226
Energy: 0.3823504155867782
Energy: 0.37038842806712463
Energy: 0.3923048929574662
Energy: 0.39588364703181994
Energy: 0.3941700139108176
Energy: 0.41585468203338855
Energy: 0.3898784036515182
Energy: 0.38689597101239487
Energy: 0.37749195026566057
Energy: 0.38072993185800036
Energy: 0.3880921916370505
Energy: 0.3840338142986343
Energy: 0.3991708486623264
Energy: 0.3870410882623116
Energy: 0.38043763304531014
Energy: 0.4272575625104327
Energy: 0.394075345606594
Energy: 0.41108005903522477
Energy: 0.3910459824327961
Energy: 0.3816130721282227
Energy: 0.4058577951787172
Energy: 0.39507545957260826
Energy: 0.38475601697945694
Energy: 0.3999265636593666
Energy: 0.3996948601396427
Energy: 0.4042230822201703
Energy: 0.3842359859378668
Energy: 0.39266520593098986
Energy: 0.3833865839308787
Energy: 0.39830487322914954
Energy: 0.38183966723933516
Energy: 0.36910107928997415
Energy: 0.4613176853074734
Energy: 0.3896427770174941
Energy: 0.4013394788474167
Energy: 0.39342192788441577
Energy: 0.370947982542937
Energy: 0.46569668153531496
Energy: 0.39464593870511855
Energy: 0.3761237134846377
Energy: 0.38862446768357445
Energy: 0.36850181474836646
Energy: 0.3745566057564279
Energy: 0.39527780641446325
Energy: 0.38521804124363745
Energy: 0.39368522455360777
Energy: 0.38494626948699096
Energy: 0.39453225921961277
Energy: 0.39293497423224405
Energy: 0.37514087994155043
Energy: 0.392597777683054
Energy: 0.3884895077511706
Energy: 0.40204195640749546
Energy: 0.39431484876622014
Energy: 0.3858265428546137
Energy: 0.39734852633661427
Energy: 0.3806250844441268
Energy: 0.37890288569031627
Energy: 0.3832139308286798
Energy: 0.38025260833417357
Energy: 0.40240848250366823
Energy: 0.3759727029239295
Energy: 0.40163128871294335
Energy: 0.41807043045314285
Energy: 0.41761261151340506
Energy: 0.38811051638394606
Energy: 0.4086905017933161
Energy: 0.39310453719247207
Energy: 0.40683848850758175
Energy: 0.4053683296522823
Energy: 0.38780751136311004
Energy: 0.4003520197623739
Energy: 0.3677674519710982
Energy: 0.3900636005937374
Energy: 0.38692731336354874
Energy: 0.3800601512900336
Energy: 0.39941477525920316
Energy: 0.37281368136032683
Energy: 0.3998215027779109
Energy: 0.3727833046341858
Energy: 0.3820252243716621
Energy: 0.3805095294413976
Energy: 0.36676848194908057
Energy: 0.3924034175136444
Energy: 0.3889721325464493
Energy: 0.42003306973325777
Energy: 0.39003958642804487
Energy: 0.37006776625852406
Energy: 0.3887483794912629
Energy: 0.3884519479405626
Energy: 0.4462128360901752
Energy: 0.37644360012219397
Energy: 0.3794048610552437
Energy: 0.3806393520783724
Energy: 0.3950360001147936
Energy: 0.38121441362647435
Energy: 0.39136871355120517
Energy: 0.38001098475232914
Energy: 0.38498833104128505
Energy: 0.39274054812213566
Energy: 0.36673561931714144
Energy: 0.3886793821226556
Energy: 0.39770460108870725
Energy: 0.3771008416335919
Energy: 0.3933574257985784
Energy: 0.39632598957626247
Energy: 0.4100146899708854
Energy: 0.38939073108530187
Energy: 0.3800083412393442
Energy: 0.39292686340055527
Energy: 0.39133056349713785
Energy: 0.3947900827167778
Energy: 0.39881276615221106
Energy: 0.38906984722629806
Energy: 0.401685612371294
Energy: 0.38280403473885466
Energy: 0.3850094167991836
Energy: 0.3967804580683838
Energy: 0.36343512358474944
Energy: 0.4115434979431934
Energy: 0.40486447755989796
Energy: 0.40272061639130546
Energy: 0.39729192635908994
Energy: 0.3679986405543036
Energy: 0.3909698876532291
Energy: 0.3805656312034411
Energy: 0.40236506754913953
Energy: 0.3902870436973678
Energy: 0.3808640704914851
Energy: 0.3997194535586036
Energy: 0.37790017347174165
Energy: 0.3830796275026931
Energy: 0.400796965615595
Energy: 0.4667836991259108
Energy: 0.3975778612641866
Energy: 0.3884240728525514
Energy: 0.37250952472840504
Energy: 0.3973058687129999
Energy: 0.40974766506820504
Energy: 0.3963058534052768
Energy: 0.3897295511859803
Energy: 0.37411423912866426
Energy: 0.39536194543437975
Energy: 0.39093262272933854
Energy: 0.38250964312053604
Energy: 0.3944994730440088
Energy: 0.38174500934348143
Energy: 0.4044446147620531
Energy: 0.38875199602299626
Energy: 0.39692571985381037
Energy: 0.393579643674275
Energy: 0.366583204511814
Energy: 0.40894702318076087
Energy: 0.3885293084913211
Energy: 0.3850173311741821
Energy: 0.39853044081436584
Energy: 0.40006807411476486
Energy: 0.4166531023868546
Energy: 0.3856072644621988
Energy: 0.3803487626347247
Energy: 0.3841834081808243
Energy: 0.4014264053955738
Energy: 0.3807068435500668
Energy: 0.3922185094425349
Energy: 0.39826535024704257
Energy: 0.4000188357945397
Energy: 0.4032701888752906
Energy: 0.40120422139237993
Energy: 0.4020555934408512
Energy: 0.3998597417543219
Energy: 0.403208905823936
Energy: 0.40296849956349967
Energy: 0.3796358241767604
Energy: 0.38095095890248676
Energy: 0.36669866463290063
Energy: 0.3805578232020577
Energy: 0.3811081699606022
Energy: 0.37918996496051854
Energy: 0.39109640210030155
Energy: 0.45736853640703645
Energy: 0.3998397180102784
Energy: 0.38148619400591444
Energy: 0.3702491497629506
Energy: 0.37076918533637365
Energy: 0.4521653399873554
Energy: 0.38885528003934666
Energy: 0.39841497963903966
Energy: 0.37257693260540264
Energy: 0.39523116075866044
Energy: 0.39306994342021995
Energy: 0.3850851392808386
Energy: 0.37500643838485864
Energy: 0.36781396276058465
Energy: 0.39895336777867485
Energy: 0.37901018577383117
Energy: 0.39775036450290013
Energy: 0.3979187133239435
Energy: 0.37589285166183434
Energy: 0.4047546525677633
Energy: 0.38190155559257966
Energy: 0.4035142681254732
Energy: 0.39210263322803846
Energy: 0.4023972951062373
Energy: 0.400263748346409
Energy: 0.38875320839822225
Energy: 0.372357035543769
Energy: 0.3932554565647676
Energy: 0.40261505878443427
Energy: 0.41018529765016076
Energy: 0.37801672051086305
Energy: 0.3798766866367239
Energy: 0.39858244299991524
Energy: 0.40261478145850793
Energy: 0.3808943970747222
Energy: 0.38131989377825853
Energy: 0.377162947394103
Energy: 0.39500046216991036
Energy: 0.3850427895751296
Energy: 0.37865971700483697
Energy: 0.3939261054321658
Energy: 0.3955946882108223
Energy: 0.391605107765116
Energy: 0.37661101581900724
Energy: 0.38005033189593695
Energy: 0.3896858042634377
Energy: 0.4547835854208606
Energy: 0.3956445833023076
Energy: 0.38286755245259585
Energy: 0.3854994961921622
Energy: 0.38289271301218586
Energy: 0.4647523585187928
Energy: 0.39075970811482824
Energy: 0.38442930255715213
Energy: 0.3721071614109442
Energy: 0.38893965800183766
Energy: 0.3678728015815883
Energy: 0.3883005688859827
Energy: 0.3887300068312215
Energy: 0.3722608113012209
Energy: 0.3916186552218726
Energy: 0.40019404221457017
Energy: 0.38891084301605816
Energy: 0.3751284239339807
Energy: 0.3720167939333554
Energy: 0.39230182890200044
Energy: 0.3976112438044576
Energy: 0.3899918780467196
Energy: 0.388473357934885
Energy: 0.39522902115186637
Energy: 0.3923904123177008
Energy: 0.40040886105033924
Energy: 0.39052361747671305
Energy: 0.3795778206820808
Energy: 0.4041171095289453
Energy: 0.41887368739924713
Energy: 0.3816639533100396
Energy: 0.40038973401986805
Energy: 0.3990997693117486
Energy: 0.38309012100844003
Energy: 0.432224813721693
Energy: 0.3811518866393945
Energy: 0.4163095528312095
Energy: 0.4023295653852104
Energy: 0.3882393219884567
Energy: 0.3868412331499095
Energy: 0.3728728124072757
Energy: 0.38032315136920086
Energy: 0.39589514189328073
Energy: 0.38626953703201705
Energy: 0.40511563682286245
Energy: 0.39320913187263423
Energy: 0.3989497229721296
Energy: 0.3973186397497735
Energy: 0.3759561851234642
Energy: 0.3898794233502705
Energy: 0.36921074987411573
Energy: 0.45046170288413
Energy: 0.3913563724581274
Energy: 0.3839251517082182
Energy: 0.3923433975784597
Energy: 0.3700803279625687
Energy: 0.39105433646762777
Energy: 0.3912296746535037
Energy: 0.3751033818291695
Energy: 0.37066751944016585
Energy: 0.3861975325099979
Energy: 0.3820752697769644
Energy: 0.3810781522879198
Energy: 0.3840143079288283
Energy: 0.3920350167047703
Energy: 0.38825983146950876
Energy: 0.4021097760411212
Energy: 0.3763705443763424
Energy: 0.391859243408639
Energy: 0.37172473652757565
Energy: 0.40217703563281204
Energy: 0.3898539791600903
Energy: 0.3912288249910726
Energy: 0.3930615267000514
Energy: 0.39735169797365194
Energy: 0.39617327432396426
Energy: 0.37689920767789803
Energy: 0.4044259443003451
Energy: 0.3853171442436798
Energy: 0.38055259374927325
Energy: 0.39063746451936976
Energy: 0.3793355888084046
Energy: 0.40464940785875547
Energy: 0.3913593774167308
Energy: 0.3835577533706763
Energy: 0.3862132285716811
Energy: 0.3949432792613558
Energy: 0.39371040059940343
Energy: 0.3797116857046508
Energy: 0.39431633742235744
Energy: 0.39420757857970545
Energy: 0.3758153978848345
Energy: 0.39162579765375005
Energy: 0.39100244680323654
Energy: 0.3937833912533463
Energy: 0.4111097738298836
Energy: 0.383811077839969
Energy: 0.40407766948605944
Energy: 0.38692196154533576
Energy: 0.39353931276191556
Energy: 0.3891503707693544
Energy: 0.36842866150152803
Energy: 0.4029171723306918
Energy: 0.3935005567921218
Energy: 0.3991295996393128
Energy: 0.39351516459700486
Energy: 0.36736612509152416
Energy: 0.3903969308119605
Energy: 0.39211744881188254
Energy: 0.3770478334717015
Energy: 0.39337191949238837
Energy: 0.3954373231961482
Energy: 0.3914707135021706
Energy: 0.3905797966473928
Energy: 0.3804491338528315
Energy: 0.39784060899080237
Energy: 0.3789233442113613
Energy: 0.40216709236949066
Energy: 0.39003231328890375
Energy: 0.3817304722494871
Energy: 0.40019448087799847
Energy: 0.4074452058389209
Energy: 0.3791154792900287
Energy: 0.3893593564875422
Energy: 0.38500336242572225
Energy: 0.40041928476461447
Energy: 0.40196664424237494
Energy: 0.4024967946451499
Energy: 0.4085688945940015
Energy: 0.39767342994645916
Energy: 0.38890763687939606
Energy: 0.38246761913004973
Energy: 0.39337288288830047
Energy: 0.4019156109736285
Energy: 0.3969550213396692
Energy: 0.38781198015997725
Energy: 0.3879001590286249
Energy: 0.37780691825399393
Energy: 0.3966823490997964
Energy: 0.39415125163728376
Energy: 0.3939068889654339
Energy: 0.38983648705306834
Energy: 0.36868240353216164
Energy: 0.390056743734138
Energy: 0.40507406845397864
Energy: 0.39765699740402527
Energy: 0.39663476004799986
Energy: 0.3647203807750018
Energy: 0.3949439330545744
Energy: 0.40481895819148833
Energy: 0.4260998203192895
Energy: 0.3724192326985178
Energy: 0.363468486896435
Energy: 0.39238124634986343
Energy: 0.3947161547590847
Energy: 0.3868213723826441
Energy: 0.4002534314580286
Energy: 0.40153260922098316
Energy: 0.39642031418756474
Energy: 0.3918192758299291
Energy: 0.3776438764491682
Energy: 0.3899470329075545
Energy: 0.3994540684607253
Energy: 0.397649385657826
Energy: 0.3947759345046576
Energy: 0.3761461003535281
Energy: 0.39240046191637823
Energy: 0.41010867599674716
Energy: 0.377086713782364
Energy: 0.3834893157754622
Energy: 0.37963267750340357
Energy: 0.4038936019621474
Energy: 0.41042743909253304
Energy: 0.37983198647387045
Energy: 0.39353971850777114
Energy: 0.38920423767764506
Energy: 0.3872238182310561
Energy: 0.4054808260282158
Energy: 0.389058040623222
Energy: 0.40688478394035177
Energy: 0.38271289046692986
Energy: 0.388918138016508
Energy: 0.39736317886544853
Energy: 0.3584658766856925
Energy: 0.3931585548255488
Energy: 0.4045976887774394
Energy: 0.4064588751513229
Energy: 0.4010700390627305
Energy: 0.39620105181667853
Energy: 0.40026808432962263
Energy: 0.3915089079591643
Energy: 0.37550522789902374
Energy: 0.38990671379718433
Energy: 0.3734315841637928
Energy: 0.3887516668534642
Energy: 0.38874917162080996
Energy: 0.39464886561251966

minimum gb energy = 0.3584658766856925 eV
minimum distance =  2.64940904619065 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

Energy: 0.6537578951324563
Energy: 0.37903350972985145
Energy: 0.3654697209862986
Energy: 0.3725661515287355
Energy: 0.371726715859528
Energy: 0.44960419287179604
Energy: 0.37741128974033733
Energy: 0.36803779243448226
Energy: 0.369821047287785
Energy: 0.3802684451074539
Energy: 0.3614437219421298
Energy: 0.3602496149987841
Energy: 0.37114579787138097
Energy: 0.36309752147561764
Energy: 0.36072308963358374
Energy: 0.3614471120552891
Energy: 0.35578624740588044
Energy: 0.37230198153071403
Energy: 0.3671582987100189
Energy: 0.3712383614147392
Energy: 0.36744056894266774
Energy: 0.3572918102504616
Energy: 0.3793570806976699
Energy: 0.3640959011869315
Energy: 0.36104318033875743
Energy: 0.36531936871681125
Energy: 0.3568416790325375
Energy: 0.37898515897533624
Energy: 0.3674949456874384
Energy: 0.37213540285647356
Energy: 0.37847432255483915
Energy: 0.36700908607500815
Energy: 0.3653529259255402
Energy: 0.3656619253849041
Energy: 0.376279872299932
Energy: 0.42830588508221745
Energy: 0.3656982956639576
Energy: 0.3618447750745127
Energy: 0.36472412636610624
Energy: 0.3659946199172103
Energy: 0.37413011555179837
Energy: 0.37183875554147344
Energy: 0.3652238942901361
Energy: 0.3664413845129123
Energy: 0.3701115954916005
Energy: 0.37173681928897884
Energy: 0.37365870637932547
Energy: 0.3640973763153393
Energy: 0.3653082512186395
Energy: 0.3734394401408696
Energy: 0.3560209801608227
Energy: 0.3635050064991964
Energy: 0.36733422814697536
Energy: 0.37382178347442985
Energy: 0.37139237708151623
Energy: 0.35519870931356023
Energy: 0.3863489640948904
Energy: 0.36839659609644454
Energy: 0.37473420086875553
Energy: 0.3754827235602563
Energy: 0.3660023038171449
Energy: 0.36798475384124296
Energy: 0.3608097534624993
Energy: 0.3748964759153552
Energy: 0.3810800725281915
Energy: 0.38347164784255283
Energy: 0.38222819372489714
Energy: 0.36076377292743805
Energy: 0.37461612714694487
Energy: 0.3808216832665672
Energy: 0.35996589743635377
Energy: 0.36209737980168194
Energy: 0.4083299202820875
Energy: 0.41748625924823624
Energy: 0.38086838921254756
Energy: 0.3973062484750209
Energy: 0.3620222321675322
Energy: 0.36057538180088355
Energy: 0.40242570368292857
Energy: 0.37981424697588956
Energy: 0.3636791734928688
Energy: 0.3748211280842159
Energy: 0.38607711587593546
Energy: 0.361148130156332
Energy: 0.35877138502604583
Energy: 0.35790020439231274
Energy: 0.4303553702001776
Energy: 0.382121768314008
Energy: 0.36088435597251994
Energy: 0.3587963290244131
Energy: 0.39254148323983873
Energy: 0.3775476288584601
Energy: 0.3631887558830127
Energy: 0.358623821731358
Energy: 0.35944713533394296
Energy: 0.38003353487136765
Energy: 0.37827696539637207
Energy: 0.3704358040656434
Energy: 0.358549672260913
Energy: 0.3595120039514692
Energy: 0.3761487106467886
Energy: 0.355148944197048
Energy: 0.357176618907786
Energy: 0.3730685595616593
Energy: 0.3815587064088273
Energy: 0.3727337590033645
Energy: 0.359939254766391
Energy: 0.36188640573609254
Energy: 0.37309882097787317
Energy: 0.373147019319401
Energy: 0.39147632605932453
Energy: 0.39666427967006196
Energy: 0.3830320742547702
Energy: 0.3743679573386983
Energy: 0.4076475071624673
Energy: 0.3917413268569308
Energy: 0.39969657335698905
Energy: 0.37707917319034445
Energy: 0.37272847866188924
Energy: 0.3849996162095034
Energy: 0.39364313615315233
Energy: 0.3826982935126743
Energy: 0.37844249525177504
Energy: 0.363431827847721
Energy: 0.372263954325443
Energy: 0.3772142461490025
Energy: 0.3570291342746977
Energy: 0.3828919605423898
Energy: 0.36416410804213395
Energy: 0.3880491761783318
Energy: 0.3592949648212687
Energy: 0.365428881631937
Energy: 0.3777904155728202
Energy: 0.3610529539055879
Energy: 0.36158686293191594
Energy: 0.35683777423767654
Energy: 0.36884928772248776
Energy: 0.40269739519306996
Energy: 0.3612482809823831
Energy: 0.3589081477746399
Energy: 0.361115182620975
Energy: 0.4039318271830243
Energy: 0.35780419260391766
Energy: 0.360098023913561
Energy: 0.35990262103454
Energy: 0.3738194834029063
Energy: 0.4033977265092825
Energy: 0.35740197174556476
Energy: 0.3600803415054455
Energy: 0.36072245785327056
Energy: 0.3813509399254929
Energy: 0.39881847887442234
Energy: 0.36004849932904665
Energy: 0.3627374330866255
Energy: 0.4032687408710732
Energy: 0.3548146080771895
Energy: 0.4013149668169708
Energy: 0.3600544950178533
Energy: 0.3832408311848925
Energy: 0.39835883744208
Energy: 0.373931301413604
Energy: 0.360536126892914
Energy: 0.375207914496147
Energy: 0.3870264870250584
Energy: 0.3876582538968471
Energy: 0.38699408474487906
Energy: 0.35969799140400627
Energy: 0.3817793432641967
Energy: 0.3863859102222727
Energy: 0.3851213812905578
Energy: 0.3768239237585179
Energy: 0.39549542846857494
Energy: 0.357231629269221
Energy: 0.36531630082704725
Energy: 0.37240424054364185
Energy: 0.37688539825235257
Energy: 0.373545026920308
Energy: 0.3571328940185267
Energy: 0.36561976795399465
Energy: 0.39058499876293634
Energy: 0.3667894951399654
Energy: 0.37768412357369285
Energy: 0.3655804183135925
Energy: 0.382232404616289
Energy: 0.3675080384309279
Energy: 0.36695365111852046
Energy: 0.4154779831024106
Energy: 0.3674294017615444
Energy: 0.38025428734255656
Energy: 0.367410248998226
Energy: 0.36770536182785063
Energy: 0.37106909657914655
Energy: 0.4013735555638306
Energy: 0.35657816646940843
Energy: 0.3699190146474721
Energy: 0.36775874794532026
Energy: 0.37220965465366623
Energy: 0.3933318875363707
Energy: 0.3561408868958041
Energy: 0.36865916461464554
Energy: 0.36495225331475006
Energy: 0.3554863954994715
Energy: 0.39149523787043633
Energy: 0.3739003849775659
Energy: 0.36508832451160067
Energy: 0.36548294872885795
Energy: 0.3585249706751956
Energy: 0.39357352758368275
Energy: 0.3869978531828893
Energy: 0.3651998259865365
Energy: 0.36468723157915534
Energy: 0.41159801536455115
Energy: 0.37527990201034006
Energy: 0.38922896939377166
Energy: 0.3642058835670311
Energy: 0.3646284240192298
Energy: 0.3762321313215039
Energy: 0.37389975884119453
Energy: 0.3817572049307463
Energy: 0.36510662500584234
Energy: 0.3728139530582158
Energy: 0.374847563382871
Energy: 0.4040328540190591
Energy: 0.405898820736032
Energy: 0.372766805567245
Energy: 0.3701693214110464
Energy: 0.3753694455666985
Energy: 0.4059058920313019
Energy: 0.4057907721722004
Energy: 0.37290364237688245
Energy: 0.3743359250026561
Energy: 0.3779318049124829
Energy: 0.379996375041266
Energy: 0.3735545476581629
Energy: 0.3799760397675887
Energy: 0.3842821915495444
Energy: 0.3767990551808548
Energy: 0.38584816927140764
Energy: 0.3739765191338189
Energy: 0.3814612718469519
Energy: 0.3895696048436501
Energy: 0.3739891514096316
Energy: 0.35968727309789306
Energy: 0.3814908301237074
Energy: 0.3582611683208477
Energy: 0.38973288903024966
Energy: 0.3660623420034358
Energy: 0.35921647012524455
Energy: 0.39003937348458717
Energy: 0.37257569250890027
Energy: 0.35862143137305114
Energy: 0.3573380657981519
Energy: 0.35778421310087866
Energy: 0.41318980901355834
Energy: 0.35863961273200995
Energy: 0.35858304468898294
Energy: 0.3575844231556523
Energy: 0.3579385059123893
Energy: 0.3819796304316353
Energy: 0.35849671282963647
Energy: 0.35873093735617567
Energy: 0.3739912285172669
Energy: 0.39280997144970237
Energy: 0.36374238996376407
Energy: 0.3584589326817928
Energy: 0.3596166870785286
Energy: 0.3801134377131381
Energy: 0.38340616682650747
Energy: 0.36318686594729915
Energy: 0.35823488804871473
Energy: 0.3655914235794872
Energy: 0.3813278375242961
Energy: 0.36748614504700283
Energy: 0.3606090732126187
Energy: 0.39132430075881314
Energy: 0.37424170543413676
Energy: 0.3793251959726266
Energy: 0.3672700927882808
Energy: 0.3639976112945644
Energy: 0.39904126016535935
Energy: 0.4048855068676429
Energy: 0.3851431753533572
Energy: 0.4097852245860021
Energy: 0.3819550713147946
Energy: 0.3721723414957513
Energy: 0.4151316620898542
Energy: 0.38436304851871067
Energy: 0.3667431607147059
Energy: 0.3781455977658997
Energy: 0.3716575321196962
Energy: 0.44243954173315336
Energy: 0.3844867061165226
Energy: 0.3645761122385146
Energy: 0.35683605119701894
Energy: 0.38339328922907456
Energy: 0.3757178806662661
Energy: 0.38416508538292937
Energy: 0.36582321195550516
Energy: 0.35659841066545517
Energy: 0.38324396234571684
Energy: 0.3615620951660353
Energy: 0.35836522556468314
Energy: 0.3661119708913128
Energy: 0.36884026837525014
Energy: 0.4027498678405973
Energy: 0.3599375728165561
Energy: 0.35829635904148954
Energy: 0.3591979110097985
Energy: 0.3846939810359651
Energy: 0.4044239800793567
Energy: 0.3588491054379532
Energy: 0.35969765154283273
Energy: 0.38689854815643737
Energy: 0.39695796322434385
Energy: 0.35908581685774166
Energy: 0.35870291109838287
Energy: 0.35948119534249384
Energy: 0.38198945813813506
Energy: 0.3989730766791015
Energy: 0.40945742962239057
Energy: 0.3777514796477478
Energy: 0.39943583064946603
Energy: 0.38384733707467195
Energy: 0.36357500727936504
Energy: 0.3927460715622562
Energy: 0.39954904472069164
Energy: 0.35667624288085137
Energy: 0.40075565425769577
Energy: 0.3628811364291787
Energy: 0.36370089591594246
Energy: 0.3878224843891448
Energy: 0.3794387623915196
Energy: 0.35723913517716227
Energy: 0.36066045482495956
Energy: 0.37161664201540384
Energy: 0.3875419486797701
Energy: 0.38650704172079525
Energy: 0.3573980483579035
Energy: 0.3607324832980264
Energy: 0.3596738395464695
Energy: 0.3673499861735141
Energy: 0.3799948943402797
Energy: 0.36467797199903623
Energy: 0.3663480026617327
Energy: 0.3532798541504282
Energy: 0.3721570430770621
Energy: 0.37954368775455527
Energy: 0.36492732179649523
Energy: 0.36084082924733907
Energy: 0.3531915954274692
Energy: 0.37022625393626457
Energy: 0.3698425756727381
Energy: 0.3607681803837107
Energy: 0.37355664105840003
Energy: 0.3670620473361483
Energy: 0.37182151901341765
Energy: 0.36874498583499576
Energy: 0.3608771402993615
Energy: 0.374113689882067
Energy: 0.3663913934348339
Energy: 0.3561771475485156
Energy: 0.3673636915324192
Energy: 0.36653014724833793
Energy: 0.3666725076966597
Energy: 0.3834136136865539
Energy: 0.3559153240544616
Energy: 0.3664050289252504
Energy: 0.36636683420884336
Energy: 0.36488085491441685
Energy: 0.3663616005036276
Energy: 0.3561831047052209
Energy: 0.36508908179025173
Energy: 0.3654811411766723
Energy: 0.3630931466693182
Energy: 0.3764008088212262
Energy: 0.35602839984065315
Energy: 0.3654995460050727
Energy: 0.3652315399487446
Energy: 0.42849215227271287
Energy: 0.3766093716524831
Energy: 0.36650175272920266
Energy: 0.36545250544002883
Energy: 0.36692063634809585
Energy: 0.36789301339363367
Energy: 0.3677972999088821
Energy: 0.36551948289660413
Energy: 0.3646461512220901
Energy: 0.3687881202616176
Energy: 0.36986880501402997
Energy: 0.36776158210356213
Energy: 0.3562941583725493
Energy: 0.3694082408299487
Energy: 0.38126164759965386
Energy: 0.3746985832463746
Energy: 0.431183768694397
Energy: 0.356420843915933
Energy: 0.37214518661206203
Energy: 0.3781035191490343
Energy: 0.37128435043246166
Energy: 0.43135159564008946
Energy: 0.3732395489230055
Energy: 0.37907449011798794
Energy: 0.37920201637458867
Energy: 0.36484685522468774
Energy: 0.35557115648787735
Energy: 0.36440487103644736
Energy: 0.3787102893317639
Energy: 0.3792549090235502
Energy: 0.36515990716416097
Energy: 0.3594197325413402
Energy: 0.4149261964394449
Energy: 0.37126727279619165
Energy: 0.3853536294042826
Energy: 0.36537715859348985
Energy: 0.35901660871614516
Energy: 0.36548918082288373
Energy: 0.38654313268019264
Energy: 0.3761833889175831
Energy: 0.3646645532521527
Energy: 0.35900957538964423
Energy: 0.38705897528300803
Energy: 0.3596504179489214
Energy: 0.35926571644063793
Energy: 0.3653627285347292
Energy: 0.3751329097206045
Energy: 0.3848100678252317
Energy: 0.3599691478404458
Energy: 0.35941010502004633
Energy: 0.3738714232619958
Energy: 0.3749205483174265
Energy: 0.398925473682672
Energy: 0.35891077320085407
Energy: 0.36036493309544554
Energy: 0.39344969418426434
Energy: 0.37425183393108213
Energy: 0.3937788122763555
Energy: 0.359143732571303
Energy: 0.3607405535226923
Energy: 0.3879060449828068
Energy: 0.3809815179252605
Energy: 0.427183911928579
Energy: 0.38912030758271526
Energy: 0.3641823492336651
Energy: 0.3918202407236635
Energy: 0.3612210695707538
Energy: 0.43049897141148386
Energy: 0.3895042662649706
Energy: 0.3713165304043409
Energy: 0.3913185774514387
Energy: 0.3740061911626096
Energy: 0.36088523098744396
Energy: 0.37292598246060393
Energy: 0.36849920676207615
Energy: 0.38810200152382845
Energy: 0.3597061679970924
Energy: 0.35633942433460297
Energy: 0.3678461332968537
Energy: 0.41360697318195844
Energy: 0.3899658827082575
Energy: 0.35967942512419826
Energy: 0.3594931826789906
Energy: 0.39512667145324937
Energy: 0.44003143040273135
Energy: 0.3985765573864447
Energy: 0.3670841526879389
Energy: 0.3582920027764607
Energy: 0.36661791341552286
Energy: 0.39853466724926145
Energy: 0.3701678912855415
Energy: 0.37403642356543404
Energy: 0.3840352384943665
Energy: 0.39541215894677684
Energy: 0.3608527572825817
Energy: 0.3577592481691571
Energy: 0.4035170596134374
Energy: 0.38827431992520134
Energy: 0.3970459580454335
Energy: 0.36207795804449855
Energy: 0.35922977106160564
Energy: 0.36047094609492575
Energy: 0.37801826700132224
Energy: 0.3742591355238876
Energy: 0.3579424695763002
Energy: 0.35653099529043736
Energy: 0.3959056567434807
Energy: 0.37713894597629793
Energy: 0.3604178019707445
Energy: 0.3592426000473558
Energy: 0.36091352794689313
Energy: 0.39521962750192147
Energy: 0.35947208535472847
Energy: 0.35794537784372576
Energy: 0.4034043613633943
Energy: 0.35605734785343035
Energy: 0.4011282916835148
Energy: 0.3617848339390446
Energy: 0.3576440493461886
Energy: 0.4061620654267177
Energy: 0.355143400093888
Energy: 0.4036253050059421
Energy: 0.3606436789253927
Energy: 0.37111308096680845
Energy: 0.3875736622949597
Energy: 0.3984408617907804
Energy: 0.3564841751179559
Energy: 0.356862657659573
Energy: 0.3642193494369267
Energy: 0.37500042913323095
Energy: 0.3966236748816291
Energy: 0.35756056286001553
Energy: 0.3652038749863197
Energy: 0.3637709566508349
Energy: 0.38290737260528823
Energy: 0.3822346464827712
Energy: 0.3739422118280127
Energy: 0.3786443422532731
Energy: 0.3598370985224773
Energy: 0.38339149625325214
Energy: 0.38437057697035204
Energy: 0.3700651004580518

minimum gb energy = 0.3531915954274692 eV
minimum distance =  2.66576709129934 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.4885727486511296
Energy: 0.3595080324065268
Energy: 0.366628841528866
Energy: 0.36136170153034597
Energy: 0.33011002299709064
Energy: 0.45929810695078294
Energy: 0.34063894212742524
Energy: 0.3754229961435306
Energy: 0.36041889652653125
Energy: 0.3637855914218159
Energy: 0.37839777595380414
Energy: 0.38376340199438924
Energy: 0.35487873174860485
Energy: 0.35325082360770177
Energy: 0.3401751199904411
Energy: 0.36144677879505116
Energy: 0.35925331738040395
Energy: 0.367800933070312
Energy: 0.36202926968978844
Energy: 0.3705013807690064
Energy: 0.36129195646988843
Energy: 0.3640870752567425
Energy: 0.42035383653840885
Energy: 0.3542318778453044
Energy: 0.35540184594441593
Energy: 0.3662374340400035
Energy: 0.3821076380265226
Energy: 0.3392737623384693
Energy: 0.3626717860619211
Energy: 0.3652138624857101
Energy: 0.43385040747749043
Energy: 0.369762563364159
Energy: 0.378839725961826
Energy: 0.3673259377062539
Energy: 0.3506871959358197
Energy: 0.43204881455245225
Energy: 0.33988414482064455
Energy: 0.371070066980859
Energy: 0.36241600976651434
Energy: 0.3519444076890119
Energy: 0.3837366317646392
Energy: 0.3608907735827647
Energy: 0.3674015433888152
Energy: 0.3693259052064956
Energy: 0.36999333604281254
Energy: 0.3560335990864823
Energy: 0.3547880616530607
Energy: 0.3623751486980862
Energy: 0.3636446708220374
Energy: 0.36730616735324817
Energy: 0.3466457863643605
Energy: 0.4058463037870291
Energy: 0.36234773690972766
Energy: 0.3630697693827179
Energy: 0.36895737193258266
Energy: 0.3466503592219864
Energy: 0.4070728973702529
Energy: 0.3539537474468798
Energy: 0.3635914552476652
Energy: 0.37620305879045457
Energy: 0.35436112230409755
Energy: 0.3516866313124319
Energy: 0.3731533047165284
Energy: 0.387757659687543
Energy: 0.3570634148130933
Energy: 0.3668965484487878
Energy: 0.34973308218811167
Energy: 0.3736863491023516
Energy: 0.36819236076953066
Energy: 0.35732321033619374
Energy: 0.33485927826250916
Energy: 0.35087565488975153
Energy: 0.4237113084017001
Energy: 0.4252340081556347
Energy: 0.3782462077955245
Energy: 0.3516819410448871
Energy: 0.34891115020224184
Energy: 0.4260852968225216
Energy: 0.42552611624311454
Energy: 0.3491142058530557
Energy: 0.34777966305812763
Energy: 0.3768824765794921
Energy: 0.3775941495612139
Energy: 0.3652581978909169
Energy: 0.34952748025763736
Energy: 0.3475526677417816
Energy: 0.3724938230615792
Energy: 0.3770166028868182
Energy: 0.3629880817181042
Energy: 0.3296230028383355
Energy: 0.3538496326208483
Energy: 0.3563377076252302
Energy: 0.36653250801359516
Energy: 0.3651693121392139
Energy: 0.3524094214354461
Energy: 0.35409452596047986
Energy: 0.3701776152113016
Energy: 0.36229961600526794
Energy: 0.362737763417968
Energy: 0.35464018218104976
Energy: 0.35554911335703776
Energy: 0.3631400342819113
Energy: 0.372301470541337
Energy: 0.4259014987965011
Energy: 0.3520074230610954
Energy: 0.38212023797244343
Energy: 0.3757331974948721
Energy: 0.37344972277528127
Energy: 0.4177938758333511
Energy: 0.3516319105955519
Energy: 0.3842017755569534
Energy: 0.36641837802169036
Energy: 0.3630792310117698
Energy: 0.36285912734722936
Energy: 0.35566249783932735
Energy: 0.3586332977978801
Energy: 0.3793975603350941
Energy: 0.3712119790083735
Energy: 0.3680829683843445
Energy: 0.3448022528551232
Energy: 0.38777397320784884
Energy: 0.3528832285299023
Energy: 0.36195822789113885
Energy: 0.36792092405014987
Energy: 0.3770405654516435
Energy: 0.3885976481110384
Energy: 0.345711235528198
Energy: 0.36707915724396434
Energy: 0.3715400693717877
Energy: 0.38542568737031024
Energy: 0.36414416870837935
Energy: 0.35194547995001385
Energy: 0.3672878483073744
Energy: 0.3677621258489579
Energy: 0.35647526970399523
Energy: 0.3551133714284149
Energy: 0.35192509412100065
Energy: 0.3608036346862561
Energy: 0.37171465585169905
Energy: 0.3811956256621412
Energy: 0.3619880127975829
Energy: 0.36279271103414285
Energy: 0.3747997397343667
Energy: 0.3699511476517347
Energy: 0.3588578417711552
Energy: 0.35511204765728854
Energy: 0.3401078334900973
Energy: 0.36819572212288576
Energy: 0.37727239793030953
Energy: 0.38405262832121384

minimum gb energy = 0.3296230028383355 eV
minimum distance =  2.70128915463131 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.657349389118439
Energy: 0.3480607288527343
Energy: 0.3250896338863865
Energy: 0.3196982823120957
Energy: 0.32033373905787665
Energy: 0.37548378665196436
Energy: 0.31876737062180904
Energy: 0.32525074355688327
Energy: 0.3299625926357053
Energy: 0.32658176259137195
Energy: 0.3228052717829352
Energy: 0.3192252813310825
Energy: 0.3254753585890429
Energy: 0.3229833968620703
Energy: 0.3052644698088745
Energy: 0.3179722206053799
Energy: 0.30930769494020255
Energy: 0.33714207897845877
Energy: 0.33363499042723815
Energy: 0.3292730710310503
Energy: 0.3191255530643348
Energy: 0.312813200028158
Energy: 0.3223347481045253
Energy: 0.33447758871087613
Energy: 0.3371436048336554
Energy: 0.3025090883900537
Energy: 0.3124997652760777
Energy: 0.3486800058891559
Energy: 0.33265265646023856
Energy: 0.3107697214437158
Energy: 0.31728832639394944
Energy: 0.3272918543891253
Energy: 0.32875820036982695
Energy: 0.3223463117643675
Energy: 0.35272161194448026
Energy: 0.3111930828762859
Energy: 0.3240543655921384
Energy: 0.321869338472424
Energy: 0.31932208465527406
Energy: 0.368132321024495
Energy: 0.3470285664422367
Energy: 0.32342347849476827
Energy: 0.3263479535412418
Energy: 0.3225362782663597
Energy: 0.3455847239235808
Energy: 0.3341568347652557
Energy: 0.3190512671981241
Energy: 0.32135739598037
Energy: 0.31827541589041425
Energy: 0.36558094812919
Energy: 0.3486286668901129
Energy: 0.33642311053072615
Energy: 0.32414810458415444
Energy: 0.34409733646622
Energy: 0.31301257625530604
Energy: 0.3399678175730882
Energy: 0.33642638370867056
Energy: 0.34765227889337885
Energy: 0.3706629250626067
Energy: 0.3223007934118477
Energy: 0.33246611494136386
Energy: 0.32269354935157496
Energy: 0.3274692094422256
Energy: 0.31401891632469264
Energy: 0.32976625756799066
Energy: 0.3318124862179484
Energy: 0.33063452920112296
Energy: 0.3278474516379226
Energy: 0.35537860759302053
Energy: 0.32976920279485245
Energy: 0.4125021491594514
Energy: 0.3218464153061088
Energy: 0.3277380681046612
Energy: 0.35730692128059616
Energy: 0.32476867304367685
Energy: 0.4163736863067392
Energy: 0.3216703937706792
Energy: 0.3272632885856265
Energy: 0.3408581047350265
Energy: 0.3197569478652836
Energy: 0.4128205273750268
Energy: 0.328330001003816
Energy: 0.3937528862913463
Energy: 0.35733042967001616
Energy: 0.3215874865009057
Energy: 0.3609490892502172
Energy: 0.34856192267730385
Energy: 0.3944462740311384
Energy: 0.3707411467482712
Energy: 0.3218811158683397
Energy: 0.32639979644335787
Energy: 0.3273699845860288
Energy: 0.32537246033785183
Energy: 0.3333678456476379
Energy: 0.3247964313259967
Energy: 0.32729500462834277
Energy: 0.3274928579068952
Energy: 0.32731551607027914
Energy: 0.35150718820461674
Energy: 0.3307216596562089
Energy: 0.31160126580854647
Energy: 0.3249980866914058
Energy: 0.3287553578575586
Energy: 0.33794784685118995
Energy: 0.403112428888213
Energy: 0.3120681827288767
Energy: 0.3260253990068592
Energy: 0.32842806732872226
Energy: 0.3457786289759435
Energy: 0.3696028758159063
Energy: 0.3484390753414309
Energy: 0.33292033977603747
Energy: 0.32475949303292795
Energy: 0.32909419038329935
Energy: 0.31611199683461216
Energy: 0.32981059568360466
Energy: 0.32517640563148575
Energy: 0.31581679954513475
Energy: 0.32549775805281245
Energy: 0.3158838935970628
Energy: 0.35829764818036675
Energy: 0.35988370880402343
Energy: 0.3342093238316766
Energy: 0.30835816261645743
Energy: 0.3150106256421521
Energy: 0.3605418959720969
Energy: 0.35598737710355827
Energy: 0.3326996292060223
Energy: 0.33348488929627434
Energy: 0.32340646140885965
Energy: 0.33144656218422464
Energy: 0.32666534547587595
Energy: 0.3133649648926432
Energy: 0.3052743541115366
Energy: 0.31014475796190616
Energy: 0.3355185198897554
Energy: 0.32968740954775627
Energy: 0.32486023198727454
Energy: 0.3080828309568264
Energy: 0.3163623128467155
Energy: 0.3419610492009657
Energy: 0.3267429503181115
Energy: 0.320254469481547
Energy: 0.3606318889425424
Energy: 0.32400237032252593
Energy: 0.321084581861113
Energy: 0.3298583523874474
Energy: 0.3236235103247733
Energy: 0.3221985425950651
Energy: 0.3213325894807768
Energy: 0.3513865586740513
Energy: 0.3358120286859834
Energy: 0.33631065702128177
Energy: 0.3116052612488004
Energy: 0.3384547849513873
Energy: 0.35371762502306875
Energy: 0.338702947040479
Energy: 0.33567931486706176
Energy: 0.31158395698164076
Energy: 0.334745213076127
Energy: 0.3296114661897931
Energy: 0.32116732326960634
Energy: 0.3135393976495246
Energy: 0.3349652643242202
Energy: 0.3257613984476808
Energy: 0.32646234189881573
Energy: 0.32000853648292066
Energy: 0.3140162209376483
Energy: 0.3360844947935751
Energy: 0.32581099525782564
Energy: 0.32041023089930226
Energy: 0.3277948743240267
Energy: 0.38144794581408337
Energy: 0.324845425202622
Energy: 0.34131876181935505
Energy: 0.31921983252962516
Energy: 0.32517166541772047
Energy: 0.40538097245768945
Energy: 0.34143925825043536
Energy: 0.3405688650174579
Energy: 0.3311932487475993
Energy: 0.318255494928316
Energy: 0.31354911978475297
Energy: 0.3207324642808837
Energy: 0.34253222907389896
Energy: 0.3394506006279426
Energy: 0.3206067168479877
Energy: 0.3133838988326184
Energy: 0.32210067034438655
Energy: 0.33660132380301905
Energy: 0.3245213216015028
Energy: 0.32308240841270974
Energy: 0.31171563210038955
Energy: 0.3332100645824276
Energy: 0.3222419072409951
Energy: 0.3239437496677294
Energy: 0.32306999132691383
Energy: 0.34858434454078413
Energy: 0.3321269706768255
Energy: 0.3230154447475499
Energy: 0.3232613135291599
Energy: 0.33107096686950077
Energy: 0.3353221039739332
Energy: 0.3632057821467717
Energy: 0.31166064101397145
Energy: 0.3232331389901207
Energy: 0.3278604420132458
Energy: 0.33113754873266693
Energy: 0.413186926014932
Energy: 0.3216981613875374
Energy: 0.35043634728224116
Energy: 0.3951427466607256
Energy: 0.3378813833138164
Energy: 0.3550097471816816
Energy: 0.3311181112742825
Energy: 0.34640054731472314
Energy: 0.39401732893521146
Energy: 0.33848971465335703
Energy: 0.3582023669453259
Energy: 0.3335980484151042
Energy: 0.327771507930919
Energy: 0.3365962744602175
Energy: 0.3481989971299311
Energy: 0.31737800744261213
Energy: 0.33007429300278085
Energy: 0.3288621008912267
Energy: 0.3283640134332303
Energy: 0.33770106053908877
Energy: 0.3151475035142285
Energy: 0.33014485231531215
Energy: 0.33001755156462415
Energy: 0.34295660491874125
Energy: 0.3263316012742536
Energy: 0.31817996012553923
Energy: 0.3227683572857387
Energy: 0.33120719506955043
Energy: 0.34041754056743445
Energy: 0.3692142426272297
Energy: 0.33418828255807176
Energy: 0.32893133476219694
Energy: 0.31451763220215456
Energy: 0.32544373348320454
Energy: 0.33407824939521436
Energy: 0.3343598380281936
Energy: 0.33260603990176385
Energy: 0.3136078663889264
Energy: 0.31963438142980366
Energy: 0.44690825036210424
Energy: 0.3311273924386778
Energy: 0.3466995784367693
Energy: 0.3322994591239579
Energy: 0.3237641102601963
Energy: 0.3085168391256886
Energy: 0.3238018478834927
Energy: 0.3594336228997073
Energy: 0.3265075387339748
Energy: 0.31515418721039423
Energy: 0.30526032320689367
Energy: 0.3201946621503382
Energy: 0.3551509954194935
Energy: 0.322478514314497
Energy: 0.30767396301113925
Energy: 0.329186822146405
Energy: 0.32492018069748496
Energy: 0.32583951494139746
Energy: 0.3133298891870981
Energy: 0.3049566241486535
Energy: 0.31421141777530814
Energy: 0.3298372072045899
Energy: 0.3316814262971019
Energy: 0.33451503852358344
Energy: 0.3208304604088114
Energy: 0.3271254073826408
Energy: 0.3173906819257121
Energy: 0.3313263499477649
Energy: 0.3179797869174496
Energy: 0.32138058651259194
Energy: 0.3237398809296779
Energy: 0.31883344785281814
Energy: 0.3350027507393663
Energy: 0.31485255968286474
Energy: 0.31392121481085544
Energy: 0.32001523018422956
Energy: 0.34221932608287364
Energy: 0.3329901350812943
Energy: 0.3148532394215698
Energy: 0.31412495699579873
Energy: 0.3198041553119624
Energy: 0.324928652519949
Energy: 0.33540961452661927
Energy: 0.3144272271691532
Energy: 0.34341316051689
Energy: 0.3276379609909828
Energy: 0.3455026535514137
Energy: 0.3245522722388783
Energy: 0.3114364107336133
Energy: 0.3364551877484741
Energy: 0.33312697077157616
Energy: 0.3501101919503775
Energy: 0.3238555076797007
Energy: 0.3196483487515298
Energy: 0.34485609678675605
Energy: 0.3434405243822411
Energy: 0.32083801291107056
Energy: 0.3240731652725346
Energy: 0.3210055414613802
Energy: 0.3208724265308693
Energy: 0.3235256168049914
Energy: 0.3189523944921694
Energy: 0.3242735273843559
Energy: 0.36893318700191846
Energy: 0.34491436039331713
Energy: 0.32154825132286735
Energy: 0.33106019729528585
Energy: 0.33751281779735937
Energy: 0.3143792791355082
Energy: 0.33055932604683774
Energy: 0.31453001031933103
Energy: 0.33005691786419317
Energy: 0.330804272059423
Energy: 0.36620661036432994
Energy: 0.3265612217249339
Energy: 0.3398093165011751
Energy: 0.3263498610484605
Energy: 0.3277494986496754
Energy: 0.35209009197720303
Energy: 0.33097945541289325
Energy: 0.3232481097687436
Energy: 0.32472781142359836
Energy: 0.32284371160725306
Energy: 0.349153922606996
Energy: 0.31729465029343323
Energy: 0.3123028687025472
Energy: 0.3255360187509037
Energy: 0.3292661314095745
Energy: 0.32692218015328195
Energy: 0.31460563001923925
Energy: 0.3118160676494195
Energy: 0.3228852345335567
Energy: 0.32845852404520653
Energy: 0.37741410409059567
Energy: 0.32298182619644783
Energy: 0.3284636302364835
Energy: 0.32883228676737913
Energy: 0.39461511250492515
Energy: 0.3414117120947443
Energy: 0.32317917254120804
Energy: 0.33215374534245895
Energy: 0.3368332213284387
Energy: 0.3966953070338894
Energy: 0.34541790047264004
Energy: 0.4591100071053933
Energy: 0.3239417423525535
Energy: 0.3235319665386152
Energy: 0.32721206839131906
Energy: 0.3298408077267114
Energy: 0.38445907932151524
Energy: 0.32791376061864347
Energy: 0.32658921226109194
Energy: 0.3322491373800183
Energy: 0.3123756223076329
Energy: 0.40414022542747013
Energy: 0.314457615028493
Energy: 0.3141342033219331
Energy: 0.34685310883470793
Energy: 0.3119889159641635
Energy: 0.40500527411142834
Energy: 0.34451673200341726
Energy: 0.32956635001661727
Energy: 0.354333616966133
Energy: 0.325609970581315
Energy: 0.34724180881732497
Energy: 0.3393565605773563
Energy: 0.32290000312117506
Energy: 0.3189905870409317
Energy: 0.31174823894717485
Energy: 0.3044620333161882
Energy: 0.3295456973837787
Energy: 0.3178128514173771
Energy: 0.33926298446436354
Energy: 0.3926000283948721
Energy: 0.3335185343554366
Energy: 0.36411065852172436
Energy: 0.3656292942514649
Energy: 0.30384053163745023
Energy: 0.4347059448087799
Energy: 0.3046371540453332
Energy: 0.3505487418881535
Energy: 0.35446861025235754
Energy: 0.3304155917463406

minimum gb energy = 0.3025090883900537 eV
minimum distance =  2.74556403896957 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.19421504029182834
Energy: 0.26730184915537125
Energy: 0.27318331231923343
Energy: 0.2701772153219152
Energy: 0.1174258980375524
Energy: 0.11764989272430823
Energy: 0.2608960854468414
Energy: 0.26368913429127433
Energy: 0.27476292679813424
Energy: 0.19441677984835293
Energy: 0.25360152967896715
Energy: 0.2705485756093699
Energy: 0.2791828483241359
Energy: 0.26439898788821764
Energy: 0.237290743684318
Energy: 0.26417710455973287
Energy: 0.26777521218660866
Energy: 0.27936659349801746
Energy: 0.2558237090886676
Energy: 0.2486036722293497
Energy: 0.2495354099265785
Energy: 0.25656767936400143
Energy: 0.29677658433935905
Energy: 0.2674472632354264
Energy: 0.14406956048026898
Energy: 0.24580660138024213
Energy: 0.27151035838528037
Energy: 0.2901610665685135
Energy: 0.2500272203088262
Energy: 0.11887029355455457
Energy: 0.11740495081685165
Energy: 0.2824381527350428
Energy: 0.2780672329112398
Energy: 0.26810180711281845
Energy: 0.14563451290702356
Energy: 0.1432388757445792
Energy: 0.2842495297860946
Energy: 0.268513334028068
Energy: 0.26405858863907816
Energy: 0.11977126279438231
Energy: 0.2825483913118586
Energy: 0.4855809800482391
Energy: 0.27644624609139495
Energy: 0.255952099376962
Energy: 0.28839885462924153
Energy: 0.268622992716055
Energy: 0.268210325107105
Energy: 0.2683895276839096
Energy: 0.2601228441016899
Energy: 0.239075331929991
Energy: 0.26050030952153846
Energy: 0.2856421235950604
Energy: 0.28502301361396354
Energy: 0.1476817874439616
Energy: 0.14981632876314524
Energy: 0.26487679296875777
Energy: 0.2773260326314951
Energy: 0.25615555568225934
Energy: 0.12163670797864111
Energy: 0.13013198813458848
Energy: 0.2865291886127244
Energy: 0.2727195302242394
Energy: 0.26817979259506025
Energy: 0.14328031781193412
Energy: 0.14324881352798546
Energy: 0.2955145606659513
Energy: 0.26518834135704095
Energy: 0.25933936617363107
Energy: 0.11764565606251755
Energy: 0.25996664437678885
Energy: 0.2611107644665694
Energy: 0.2656998441536396
Energy: 0.26723938704888744
Energy: 0.26140180641021327
Energy: 0.27653598677563623
Energy: 0.4917368048613918
Energy: 0.273274890214688
Energy: 0.26631128385992753
Energy: 0.28256876656839863
Energy: 0.2769049536928402
Energy: 0.2889165095655967
Energy: 0.2624323930902833
Energy: 0.12181577307621277
Energy: 0.1175047445448429
Energy: 0.2639004692573342
Energy: 0.2921004146359533
Energy: 0.26699304225181697
Energy: 0.18499777169297757
Energy: 0.18166557412004522
Energy: 0.2683252705694368
Energy: 0.2772780646782458
Energy: 0.2650357034557499
Energy: 0.12276238493212767
Energy: 0.26447996441712696
Energy: 0.2597313738612427
Energy: 0.27222594119178767
Energy: 0.26005155177706685
Energy: 0.17061737835670598
Energy: 0.2666171086968152
Energy: 0.28897156175390964
Energy: 0.25861549785393834
Energy: 0.26804497499635477
Energy: 0.14167253919601994
Energy: 0.27848186669348934
Energy: 0.2900479519650498
Energy: 0.2552428128428645
Energy: 0.13151601101106156
Energy: 0.12205484939312043
Energy: 0.27269188250271914
Energy: 0.49917800824535047
Energy: 0.27089296302106325
Energy: 0.14335695209389146
Energy: 0.14681705719677168
Energy: 0.2617223751160564
Energy: 0.26880582545406645
Energy: 0.2636964333804026
Energy: 0.11757196096435406
Energy: 0.12188807380714257
Energy: 0.2616374741530325
Energy: 0.2766483912203443
Energy: 0.2600275868493762
Energy: 0.2630042694064365
Energy: 0.2775392660015782
Energy: 0.2655487475029421
Energy: 0.2698150917521985
Energy: 0.2740096250900893
Energy: 0.28145087171468547
Energy: 0.2767389293550193
Energy: 0.2598733972309559
Energy: 0.2779893793101436
Energy: 0.14340766412247194
Energy: 0.14326723180831422
Energy: 0.26815183152333244
Energy: 0.2939283440396449
Energy: 0.2910834298372815
Energy: 0.1174689173899307
Energy: 0.11770104782814894
Energy: 0.2627824354842016
Energy: 0.28761111564561104
Energy: 0.28398065197833705
Energy: 0.15568518387822372
Energy: 0.14772384768813734
Energy: 0.28057436979722056
Energy: 0.27521877946300893
Energy: 0.27820017710943123
Energy: 0.1294221316362962
Energy: 0.11751109983278435
Energy: 0.26385932546030666
Energy: 0.2725753035403205
Energy: 0.2664857024798878
Energy: 0.2693303144436444
Energy: 0.2762196325617224
Energy: 0.27206289596410194
Energy: 0.2797249483007017
Energy: 0.27138999268362174
Energy: 0.2796990302284209
Energy: 0.27376625364780927
Energy: 0.283848524943566
Energy: 0.2673730214521051
Energy: 0.264013694638468
Energy: 0.11891295641736728
Energy: 0.2621402883079585
Energy: 0.2654516770513569
Energy: 0.2712081713064387
Energy: 0.1690011441882605
Energy: 0.17070266631618602
Energy: 0.26545823940041263
Energy: 0.2938085574324474
Energy: 0.25650068013602134
Energy: 0.11745903418041362
Energy: 0.11792895387953038
Energy: 0.25987870224406173
Energy: 0.4852221578699638
Energy: 0.2690419691754535
Energy: 0.2675407953646336
Energy: 0.16712957855014754
Energy: 0.2672502940087804
Energy: 0.27786706536550265
Energy: 0.25454196902769527
Energy: 0.26960209365904386
Energy: 0.28816958930121866
Energy: 0.28258634292735557
Energy: 0.29050226271291285
Energy: 0.26702567892710394
Energy: 0.12921756196374576
Energy: 0.2897346459936125
Energy: 0.2840371082773953
Energy: 0.29347772612483897
Energy: 0.26813372940039837
Energy: 0.14220065263831058
Energy: 0.143265461144869
Energy: 0.26261529744426476
Energy: 0.2657072836138456
Energy: 0.2580140325489215
Energy: 0.11756236924819075
Energy: 0.11742231078417173
Energy: 0.2613181361810976
Energy: 0.2700202588467737
Energy: 0.1433063066109856
Energy: 0.14325598655687882
Energy: 0.26724760463512054
Energy: 0.2827489051681355
Energy: 0.2753547195256554
Energy: 0.2713359830996589
Energy: 0.2592166754802657
Energy: 0.26031976643096116
Energy: 0.48675303498443695
Energy: 0.2720472083972907
Energy: 0.26868630625442513
Energy: 0.26300913951006977
Energy: 0.26914079880738545
Energy: 0.2938521173761333
Energy: 0.259927833552742
Energy: 0.11798286824187156
Energy: 0.1294450075486044
Energy: 0.2716087754357797
Energy: 0.2859161888993801
Energy: 0.2653687692160799
Energy: 0.1436210626857266
Energy: 0.2625897845397932
Energy: 0.28913738569709946
Energy: 0.275809648195738
Energy: 0.2649892404674125
Energy: 0.1212581506984579
Energy: 0.11741693417975634
Energy: 0.2760361549608606
Energy: 0.27322227902322094
Energy: 0.26436584749199576
Energy: 0.1468437225538288
Energy: 0.14328616151874976
Energy: 0.29412952952707294
Energy: 0.280416439122985
Energy: 0.2630981934882203
Energy: 0.27809274517537735
Energy: 0.26305664421104585
Energy: 0.2623119873748205
Energy: 0.2663483268687053
Energy: 0.27357654300164563
Energy: 0.2851406691752339
Energy: 0.27513254536922993
Energy: 0.29126047919486425
Energy: 0.28623395673781926
Energy: 0.18171001730511513
Energy: 0.18194065978633767
Energy: 0.26803287246779706
Energy: 0.29559282004433396
Energy: 0.2799797357651606
Energy: 0.11759007029031386
Energy: 0.11767582027046872
Energy: 0.27282707966901726
Energy: 0.2788095887766602
Energy: 0.27687286757234864
Energy: 0.16695234359746353
Energy: 0.18188435336732248
Energy: 0.28954104906362144
Energy: 0.2770754073756921
Energy: 0.27315642265416146
Energy: 0.11817273950592047
Energy: 0.11752366015461455
Energy: 0.2855455369417053
Energy: 0.26756659874991545
Energy: 0.26531918628945317
Energy: 0.27229942127565643
Energy: 0.277641888110279
Energy: 0.29660764438207193
Energy: 0.2722399343596794
Energy: 0.24634270414612067
Energy: 0.24452594026821026
Energy: 0.2780339158478333
Energy: 0.28526452272776487
Energy: 0.250235097872498
Energy: 0.11751498642777713
Energy: 0.12121903023880268
Energy: 0.2606905591876079
Energy: 0.28710573581802207
Energy: 0.25568964444006637
Energy: 0.14787448584284454
Energy: 0.14757893239064887
Energy: 0.262652425063641
Energy: 0.2691732066669467
Energy: 0.2719724587294394
Energy: 0.24111330689094315
Energy: 0.13030176353638592
Energy: 0.26021605489552174
Energy: 0.27806160879086494
Energy: 0.25962682088918276
Energy: 0.24167787636336913
Energy: 0.24120925632773357
Energy: 0.2673748975067356
Energy: 0.2721210422857516
Energy: 0.26312835338293905
Energy: 0.12863727311614134
Energy: 0.25594190871384587
Energy: 0.2908330970459261
Energy: 0.2734339367033799
Energy: 0.26451561996958145
Energy: 0.14170694014355317
Energy: 0.27469975598576735
Energy: 0.29323856118123987
Energy: 0.2507704651754971
Energy: 0.1176602503911914
Energy: 0.11948159036129506
Energy: 0.25558128078312403
Energy: 0.4880351088945973
Energy: 0.2676923678896048
Energy: 0.14342029184233204
Energy: 0.1465313957796837
Energy: 0.26532495582511706
Energy: 0.26729217106017533
Energy: 0.26542799946489687
Energy: 0.25161755704209493
Energy: 0.251278224919036
Energy: 0.25865847057430336
Energy: 0.2735721376056284
Energy: 0.26760773696200224
Energy: 0.23115998804065752
Energy: 0.2659537944167098
Energy: 0.26838904258675683
Energy: 0.28213905470643086
Energy: 0.2571602450745291
Energy: 0.19871166226793532
Energy: 0.23159140954039892
Energy: 0.2960645747474918
Energy: 0.2953433110016156
Energy: 0.25819886239459855
Energy: 0.11782268326246449
Energy: 0.2651337719733391
Energy: 0.2863050703223573
Energy: 0.29000630428183305
Energy: 0.1944819415090716

minimum gb energy = 0.11740495081685165 eV
minimum distance =  2.74228166970923 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.5473187629707483
Energy: 0.27178391701130444
Energy: 0.3025467262947589
Energy: 0.28605223587803047
Energy: 0.2692203849108482
Energy: 0.30381405801520744
Energy: 0.2736977539163265
Energy: 0.28811455918510476
Energy: 0.2922565030515775
Energy: 0.2862258974396059
Energy: 0.28931360363952235
Energy: 0.28382411194407475
Energy: 0.2891215662751771
Energy: 0.2862093993824448
Energy: 0.2860886174099495
Energy: 0.2709209102658998
Energy: 0.271974280990466
Energy: 0.3000650920212114
Energy: 0.30945558466479733
Energy: 0.2890821956452365
Energy: 0.28440239279524476
Energy: 0.29561164541021573
Energy: 0.2982452097416582
Energy: 0.29473304009333023
Energy: 0.2734819641214974
Energy: 0.2711670092385417
Energy: 0.2950552027059349
Energy: 0.29220520963085067
Energy: 0.30923575444004553
Energy: 0.2735110345761563
Energy: 0.30910325813466255
Energy: 0.2950015735010024
Energy: 0.3005804323351803
Energy: 0.28164624161218954
Energy: 0.31704703452093647
Energy: 0.30088035080152775
Energy: 0.29451369379346826
Energy: 0.295080953262946
Energy: 0.3011343017513823
Energy: 0.3106154690837908
Energy: 0.2869951400164925
Energy: 0.2912874470950872
Energy: 0.2953577644667735
Energy: 0.29505224655215473
Energy: 0.2813483738218546
Energy: 0.29053233640235665
Energy: 0.2926483241949582
Energy: 0.29432422252739115
Energy: 0.2818390696941104
Energy: 0.29044018841489583
Energy: 0.28709431969825744
Energy: 0.2870036420994107
Energy: 0.3137498645191657
Energy: 0.27404311915875307
Energy: 0.2876702222721536
Energy: 0.2938843767134099
Energy: 0.29123258052982215
Energy: 0.3123552080610433
Energy: 0.2739752869324828
Energy: 0.28757101781776484
Energy: 0.3245639404890291
Energy: 0.30170875057214747
Energy: 0.29138024017422637
Energy: 0.3075622141834241
Energy: 0.3009141602734768
Energy: 0.3019448483629022
Energy: 0.3015319173441858
Energy: 0.2895534661818197
Energy: 0.3077527581871617
Energy: 0.28071214485451024
Energy: 0.2834112685319599
Energy: 0.28721246899281133
Energy: 0.27913824609614735
Energy: 0.2816457893553256
Energy: 0.2812381564846675
Energy: 0.28328293841172747
Energy: 0.3111596179094958
Energy: 0.279335776987384
Energy: 0.2816679104686874
Energy: 0.2815313217689213
Energy: 0.28111789071413174
Energy: 0.30410403493707355
Energy: 0.3077566966032108
Energy: 0.28832148283738673
Energy: 0.28894060580193315
Energy: 0.2809584793181329
Energy: 0.3012105874326812
Energy: 0.3481417675630348
Energy: 0.29001630673335044
Energy: 0.28143832006267167
Energy: 0.37522286637830626
Energy: 0.29395921856040963
Energy: 0.34916454883222875
Energy: 0.2792044324114582
Energy: 0.30045888013541844
Energy: 0.2758526228950738
Energy: 0.29384955527845713
Energy: 0.34935969518376025
Energy: 0.27914636126482484
Energy: 0.29653492188487146
Energy: 0.32142944990429145
Energy: 0.3020575600720825
Energy: 0.2794150011335075
Energy: 0.2821466078751643
Energy: 0.2791752309468044
Energy: 0.322139065659892
Energy: 0.27995957244342307
Energy: 0.2795402718269712
Energy: 0.2813635111258042
Energy: 0.2791798361452764
Energy: 0.30269072868392277
Energy: 0.28901180821671674
Energy: 0.32257720024943504
Energy: 0.3083049375381759
Energy: 0.27304965338951903
Energy: 0.3048994381591704
Energy: 0.2888105063347435
Energy: 0.34481476268495237
Energy: 0.317986922777102
Energy: 0.27332622612660584
Energy: 0.30637932222615827
Energy: 0.3500256105060211
Energy: 0.2795075672041259
Energy: 0.28735997984853345
Energy: 0.28870895742254954
Energy: 0.36334306192736604
Energy: 0.31472697617358864
Energy: 0.2794176596290639
Energy: 0.28801045101982353
Energy: 0.31127232327398324
Energy: 0.3055880750224692
Energy: 0.30118288573513324
Energy: 0.2793846266908281
Energy: 0.27939550664297613
Energy: 0.32117058981381935
Energy: 0.30541933916300734
Energy: 0.288024366615508
Energy: 0.27910193190459714
Energy: 0.2794236311824427
Energy: 0.3160999410887562
Energy: 0.30491191202694906
Energy: 0.31772237496667677
Energy: 0.33413358319101155
Energy: 0.2908658086484626
Energy: 0.2880811564849874
Energy: 0.30796336948256414
Energy: 0.2812492438546643
Energy: 0.34797140567571744
Energy: 0.2897296956359269
Energy: 0.2931011753407437
Energy: 0.34132738308775484
Energy: 0.2821384533874428
Energy: 0.2796404705868969
Energy: 0.3073914219167595
Energy: 0.31231304923084235
Energy: 0.3049318544743544
Energy: 0.28230700613412857
Energy: 0.2809976751762647
Energy: 0.35835743789017194
Energy: 0.31245324279369247
Energy: 0.3467439464256823
Energy: 0.2842192404351186
Energy: 0.28018578972699737
Energy: 0.31895791164696796
Energy: 0.3189157816227604
Energy: 0.3542668782586784
Energy: 0.2852249582491251
Energy: 0.28147277259708775
Energy: 0.3130587146560923
Energy: 0.3143298392117193
Energy: 0.2842360192502387
Energy: 0.29222817633560605
Energy: 0.2860787481991321
Energy: 0.28639747985994385
Energy: 0.29910498710020267
Energy: 0.2845335515720327
Energy: 0.2943005343850238
Energy: 0.2864997138358043
Energy: 0.2878270900424472
Energy: 0.3002277489931252
Energy: 0.2888279855777395
Energy: 0.2793184335534128
Energy: 0.3190902702580899
Energy: 0.27963524800093104
Energy: 0.3119008688849213
Energy: 0.286359312426398
Energy: 0.2751400603471732
Energy: 0.36311247292469545
Energy: 0.28131657683001277
Energy: 0.31213299094251173
Energy: 0.28636358357153197
Energy: 0.281617918247545
Energy: 0.2762136120967168
Energy: 0.28806072800710336
Energy: 0.29789964435021427
Energy: 0.29121418037670005
Energy: 0.26958727041262043
Energy: 0.2738801123715448
Energy: 0.2853761682998036
Energy: 0.3354623482753225
Energy: 0.29648819531901266
Energy: 0.28326662956913495
Energy: 0.3138127927315156
Energy: 0.2932438694364038
Energy: 0.29238387655911624
Energy: 0.2771210808032937
Energy: 0.27760940907679155
Energy: 0.3120171904029258
Energy: 0.29239226755499864
Energy: 0.29912556723342115
Energy: 0.2893675308501586
Energy: 0.30762833737680706
Energy: 0.2798982967242704
Energy: 0.2889108053614893
Energy: 0.29858107653152777
Energy: 0.28969128894522567
Energy: 0.2920369907706813
Energy: 0.27539065333018814
Energy: 0.2857503451705293
Energy: 0.3012179579579546
Energy: 0.30838907659568626
Energy: 0.3353109820869373
Energy: 0.29794272073691597
Energy: 0.29438483868300713
Energy: 0.2950786567510567
Energy: 0.32499014055342984
Energy: 0.3309443383208264
Energy: 0.28520456265528593
Energy: 0.2944834751030911
Energy: 0.2949677059696269
Energy: 0.2862544375150626
Energy: 0.2736954383312619
Energy: 0.2862512281244822
Energy: 0.32526383013476795
Energy: 0.31083428186170814
Energy: 0.2999134324405984
Energy: 0.27352788583905846
Energy: 0.29202346194898593
Energy: 0.32563845753631204
Energy: 0.2883803377903574
Energy: 0.28169278661693414
Energy: 0.2888032747193364
Energy: 0.2880978490332965
Energy: 0.2941550679277131
Energy: 0.2859321721652386
Energy: 0.28170050398558055
Energy: 0.28973295761727286
Energy: 0.28922792915161893
Energy: 0.2937990056090363
Energy: 0.28161100065106504
Energy: 0.3117904230766394
Energy: 0.2993209544701935
Energy: 0.28854123267582504
Energy: 0.293872025958214
Energy: 0.3090238998536837
Energy: 0.28339098425578335
Energy: 0.29914211894778364
Energy: 0.289556042144906
Energy: 0.306723375440924
Energy: 0.30894634150362316
Energy: 0.2735692915643111
Energy: 0.2821023085292191
Energy: 0.3027532928279555
Energy: 0.304615108896595
Energy: 0.2797352401087141
Energy: 0.27332469595355413
Energy: 0.2825830206246386
Energy: 0.30221284331346254
Energy: 0.3066040180279783
Energy: 0.29428110166748184
Energy: 0.28136412451661186
Energy: 0.2813939445742287
Energy: 0.2838933489345455
Energy: 0.31113258233846147
Energy: 0.27315296343981776
Energy: 0.2812583981192269
Energy: 0.2806766506679628
Energy: 0.2835210809159425
Energy: 0.310697579613471
Energy: 0.27288550051810456
Energy: 0.36035407041952405
Energy: 0.2815823187381576
Energy: 0.2891979216374505
Energy: 0.30032276060565244
Energy: 0.324060371202117
Energy: 0.2919334221306715
Energy: 0.28125786783584716
Energy: 0.29443714576995955
Energy: 0.2943140270403009
Energy: 0.27501382343084313
Energy: 0.2791377373670299
Energy: 0.2979758407203335
Energy: 0.3223262721141232
Energy: 0.34492040600262874
Energy: 0.2794861080930044
Energy: 0.2790226775903257
Energy: 0.3017812053623842
Energy: 0.32147642323149866
Energy: 0.31869765070313444
Energy: 0.2796397023005121
Energy: 0.28272429254557696
Energy: 0.2794837208252205
Energy: 0.34042603789898707
Energy: 0.275086751806705
Energy: 0.2881428754208705
Energy: 0.2823398324038108
Energy: 0.27947878662903963
Energy: 0.3279257711330603
Energy: 0.2747028601983755
Energy: 0.2796067536877918
Energy: 0.35674193261838555
Energy: 0.2925122177721378
Energy: 0.30219563463430815
Energy: 0.28826192363283537
Energy: 0.30634222144008766
Energy: 0.3655881196204934
Energy: 0.2919061558687895
Energy: 0.3022304900572293
Energy: 0.28934416469267016
Energy: 0.30581838500230524
Energy: 0.2798456129480399
Energy: 0.27312122142067324
Energy: 0.30877176435771075
Energy: 0.2796935205709586
Energy: 0.28115565859344493
Energy: 0.2851847803170135
Energy: 0.27359101345770404
Energy: 0.31276127764797734
Energy: 0.2797064408767941
Energy: 0.2815584104055813
Energy: 0.2796435985961409
Energy: 0.32178049496742017
Energy: 0.3160261415510613
Energy: 0.3038331626494336
Energy: 0.27897444340557315
Energy: 0.27967139328370183
Energy: 0.31654792590015657
Energy: 0.3163024533447302
Energy: 0.28927461570342783
Energy: 0.2790492567119127
Energy: 0.45967438755805284
Energy: 0.29339334521719196
Energy: 0.317047384769673
Energy: 0.2809763778056025
Energy: 0.2867485359681918
Energy: 0.29000982423349164
Energy: 0.2941550050579254
Energy: 0.31108377946609206
Energy: 0.2798040138048786
Energy: 0.2869558358112405
Energy: 0.2730971003694662
Energy: 0.2976450816066085
Energy: 0.28549527116433737
Energy: 0.28183545545518085
Energy: 0.2812707285622669
Energy: 0.27953498388574055
Energy: 0.30156092159398007
Energy: 0.27989159354750553
Energy: 0.28206588519277903
Energy: 0.28000737747096127
Energy: 0.2832025637124486
Energy: 0.2893644740377411
Energy: 0.30966496152703776
Energy: 0.27768783795132446
Energy: 0.2727033793434879
Energy: 0.27705529833303455
Energy: 0.3037123512012221
Energy: 0.30299727492109924
Energy: 0.2885031307141214
Energy: 0.2729619006105755
Energy: 0.3300298467474952
Energy: 0.30520722683756857
Energy: 0.2846542456860388
Energy: 0.2776624910030384
Energy: 0.3211805444311603
Energy: 0.3081978400074483
Energy: 0.3115454313609138
Energy: 0.28328429600114285
Energy: 0.28245815979975697
Energy: 0.3071015967404651
Energy: 0.2795043181293005
Energy: 0.3035611373787608
Energy: 0.2753609145452139
Energy: 0.2755462974049061
Energy: 0.27204694102518134
Energy: 0.2807855063785955
Energy: 0.2792982377857965
Energy: 0.2791743360590855
Energy: 0.2803666179986829
Energy: 0.27602126922893344
Energy: 0.2862345549452513
Energy: 0.3051349802524236
Energy: 0.29076709797012895
Energy: 0.26981778221826347
Energy: 0.2763172004522963
Energy: 0.285549537664599
Energy: 0.3060094415966516
Energy: 0.29003243122241645
Energy: 0.2713128096924645
Energy: 0.2830911319821647
Energy: 0.29182548601342767
Energy: 0.29270427316937914
Energy: 0.29046548652174314
Energy: 0.31423312918997987
Energy: 0.3174820369509666
Energy: 0.2910649539395941
Energy: 0.29442449228449985
Energy: 0.28783151138286994
Energy: 0.28905238967552166
Energy: 0.2889146627692407
Energy: 0.29686716248227507
Energy: 0.2999286070152115
Energy: 0.2899380185224948
Energy: 0.27674889066592134
Energy: 0.2749088040617298
Energy: 0.2959904327056106
Energy: 0.2906727516691991
Energy: 0.28898472077656184
Energy: 0.271957491125262
Energy: 0.2791916241744653
Energy: 0.2925405023742626
Energy: 0.3004807386955495
Energy: 0.3596166696742671
Energy: 0.2882444447782547
Energy: 0.306859170264122
Energy: 0.2925859794758417
Energy: 0.297672875586568
Energy: 0.3450016696128239
Energy: 0.2877291567793292
Energy: 0.28657485719842796
Energy: 0.3029414448077455
Energy: 0.283959604902583
Energy: 0.2866910974463411
Energy: 0.2835206693364847
Energy: 0.30174804526891036
Energy: 0.30302388793126966
Energy: 0.2882028167879807
Energy: 0.2867125339543936
Energy: 0.29098437677572225
Energy: 0.302628175797639
Energy: 0.29084852635593517
Energy: 0.2816218906702259
Energy: 0.3108107989424438
Energy: 0.28946422088954693
Energy: 0.2913889500300583
Energy: 0.3140777877191109
Energy: 0.28118927666741084
Energy: 0.2899287483806466
Energy: 0.288307613848448
Energy: 0.29120242508325983
Energy: 0.30161526487865103
Energy: 0.29200932074299807
Energy: 0.3599857474665527
Energy: 0.2985881203095296
Energy: 0.2899967119972826
Energy: 0.30039423461327164
Energy: 0.2880093787200641
Energy: 0.35981980720944695
Energy: 0.29244300349616503
Energy: 0.28867105338813365
Energy: 0.30995663060510836
Energy: 0.27481367205966484
Energy: 0.281667995439884
Energy: 0.2828708975784879
Energy: 0.3033918012007532
Energy: 0.3019541537676701
Energy: 0.28109477234225094
Energy: 0.28159861216643456
Energy: 0.2835141353742854
Energy: 0.30488088917484485
Energy: 0.30971457956867376
Energy: 0.3579031526885066
Energy: 0.2810957869093778
Energy: 0.2834846100559961
Energy: 0.33803099477395304
Energy: 0.3111302125195369
Energy: 0.2855649171275916
Energy: 0.2811216581074232
Energy: 0.2841319627619045
Energy: 0.3250054008682097
Energy: 0.29443597863979354
Energy: 0.2755938170797189
Energy: 0.358614721958899
Energy: 0.32643164652924
Energy: 0.2971158049109734
Energy: 0.290118991262761
Energy: 0.28980824043166886
Energy: 0.3053226220398786
Energy: 0.3023314842357315
Energy: 0.29407248990107604
Energy: 0.32489961389445543
Energy: 0.2795507364998661
Energy: 0.27953670521647234
Energy: 0.27425469943658926
Energy: 0.3069554370763022
Energy: 0.2992502659173154
Energy: 0.27927655009932245
Energy: 0.279334362966168
Energy: 0.30347086176790866
Energy: 0.307241740326855
Energy: 0.33697076365717127
Energy: 0.2894853687841521
Energy: 0.2790288923678501
Energy: 0.32831682387127226
Energy: 0.3649889613856035
Energy: 0.28112153945160784
Energy: 0.28865715703437694
Energy: 0.27901297994024155
Energy: 0.2917340301155185
Energy: 0.34421488308986226
Energy: 0.2740983291273209
Energy: 0.28018042787598535
Energy: 0.28928945611086065
Energy: 0.2891671857929571
Energy: 0.3044993215357353
Energy: 0.27418531455424633
Energy: 0.28670225210480776
Energy: 0.2892069800683551
Energy: 0.2867742865037583
Energy: 0.3024533363209631
Energy: 0.2797405387778316
Energy: 0.28161118510324107
Energy: 0.2798936232264005
Energy: 0.2793151250280918
Energy: 0.28624442756556945
Energy: 0.27908833711732894
Energy: 0.28244301951372675
Energy: 0.2799222517224097
Energy: 0.2794974816781978
Energy: 0.2896994305304489
Energy: 0.29828521459010504
Energy: 0.27921040729563873
Energy: 0.350223447457519
Energy: 0.2786233201895597
Energy: 0.2954991791403372
Energy: 0.2985791526187063
Energy: 0.27908283591919303
Energy: 0.3423304272726453
Energy: 0.29599885691867545
Energy: 0.41741355454947265
Energy: 0.27868630642060754
Energy: 0.2941181630960309
Energy: 0.32391068759058605
Energy: 0.32813609812578515
Energy: 0.28303678069111193
Energy: 0.282427810880261
Energy: 0.2976858586823431
Energy: 0.321363961509751
Energy: 0.3276793884547179
Energy: 0.27915682324375013
Energy: 0.2790039988932745
Energy: 0.2795694302159222
Energy: 0.2791469487975647
Energy: 0.29771228020829243
Energy: 0.2853850557566318
Energy: 0.28186597701101673
Energy: 0.2828610044236385
Energy: 0.2790075690127741
Energy: 0.29143071618281113
Energy: 0.278783706304216
Energy: 0.31583034061234855
Energy: 0.3564754192045521
Energy: 0.28427747380741436
Energy: 0.31054968663628635
Energy: 0.315116587864972
Energy: 0.32935922576089627
Energy: 0.30178018187995265
Energy: 0.27871415064838256
Energy: 0.30965030953918504
Energy: 0.31029964743184135
Energy: 0.28884269956897846
Energy: 0.2735016914592382
Energy: 0.28863138095919316
Energy: 0.2852684424826674
Energy: 0.2720654870291502
Energy: 0.2875006803656134
Energy: 0.27283979322340757
Energy: 0.3053880115900649
Energy: 0.28517557521073844
Energy: 0.2835995961731285
Energy: 0.2962603705817644
Energy: 0.29027238050746534
Energy: 0.305373028397001
Energy: 0.28673579566502805
Energy: 0.2706525692520381
Energy: 0.27119423590315217
Energy: 0.29132696528677315
Energy: 0.2982223159029342
Energy: 0.27387661577442257
Energy: 0.2836193262608062
Energy: 0.3619331621026284
Energy: 0.27144448143754274
Energy: 0.3074794447680896
Energy: 0.2915200384705141
Energy: 0.285828415898247
Energy: 0.26822126980633837
Energy: 0.2716478343492144
Energy: 0.2930521324735308
Energy: 0.2976352979643554
Energy: 0.3145940437735505

minimum gb energy = 0.26822126980633837 eV
minimum distance =  2.70812212500234 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.5358891802410891
Energy: 0.354024383483872
Energy: 0.3886366052609229
Energy: 0.3795807854546032
Energy: 0.35196899788844616
Energy: 0.3570534764372713
Energy: 0.362779934888797
Energy: 0.38754988294478354
Energy: 0.3799873523577818
Energy: 0.3509953089605741
Energy: 0.3535253922188052
Energy: 0.35422596908123455
Energy: 0.38933903913076445
Energy: 0.3728611859660312
Energy: 0.35361737760674794
Energy: 0.3547967840034981
Energy: 0.35516276123536605
Energy: 0.3760140483050532
Energy: 0.37214646051510203
Energy: 0.3544070585584589
Energy: 0.3733868247325828
Energy: 0.37254088997949575
Energy: 0.3739524063159802
Energy: 0.3798857309920403
Energy: 0.351285517382996
Energy: 0.37321673423641716
Energy: 0.37203300634827724
Energy: 0.375639157871535
Energy: 0.37984509242118203
Energy: 0.372158973937097
Energy: 0.377305615589405
Energy: 0.3868577167616507
Energy: 0.403045157454748
Energy: 0.38012026028354584
Energy: 0.36677503725013894
Energy: 0.3772937584632634
Energy: 0.38639765581262664
Energy: 0.40354017184944435
Energy: 0.3559538015609453
Energy: 0.3680982876676127
Energy: 0.35288754591612376
Energy: 0.3832187774786405
Energy: 0.37802691518267884
Energy: 0.353019924798332
Energy: 0.35490711620214926
Energy: 0.3529622533389664
Energy: 0.38084231677819774
Energy: 0.3780340399093788
Energy: 0.35319721664036724
Energy: 0.3543501756589445
Energy: 0.35395532389565937
Energy: 0.3538277215601156
Energy: 0.381261601121801
Energy: 0.3865344483379874
Energy: 0.3680050643319936
Energy: 0.35360675791900115
Energy: 0.35402128809044475
Energy: 0.38083031851231
Energy: 0.3840792161277168
Energy: 0.3665825483613439
Energy: 0.39087694967137976
Energy: 0.41723763159884464
Energy: 0.3647829063071057
Energy: 0.39685969245900105
Energy: 0.35371421756127736
Energy: 0.38962873840009465
Energy: 0.41439319840939404
Energy: 0.36594873004638157
Energy: 0.4106849911729749
Energy: 0.35414745203036757
Energy: 0.3537183324658871
Energy: 0.3566346978596684
Energy: 0.3681117782351972
Energy: 0.36162095393969135
Energy: 0.35298489136339767
Energy: 0.3536056559984045
Energy: 0.35678961721719504
Energy: 0.3845084396890534
Energy: 0.35378153393726086
Energy: 0.3534330173544103
Energy: 0.3445092492691145
Energy: 0.35456422688940437
Energy: 0.4039547825462228
Energy: 0.40416355253671493
Energy: 0.35370937213169695
Energy: 0.34484066187781925
Energy: 0.3543345890887862
Energy: 0.40350500535852457
Energy: 0.38044766966290894
Energy: 0.3533834547372887

minimum gb energy = 0.3445092492691145 eV
minimum distance =  2.72735682306772 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.6375301292474329
Energy: 0.4205038245342172
Energy: 0.44793007029128035
Energy: 0.4380047592088046
Energy: 0.4246090445458388
Energy: 0.45585936591703186
Energy: 0.43457014478509953
Energy: 0.44874645500208993
Energy: 0.43324106180272043
Energy: 0.42287997252916887
Energy: 0.4359849194512316
Energy: 0.42258148546733976
Energy: 0.4362411244622068
Energy: 0.43541713374039664
Energy: 0.427093296269636
Energy: 0.41510860513993875
Energy: 0.4121878638620383
Energy: 0.4358686558649528
Energy: 0.4366302689901622
Energy: 0.4325127020216077
Energy: 0.43042177568885964
Energy: 0.42015632484497833
Energy: 0.43924885179392886
Energy: 0.4427422448310181
Energy: 0.4238611048960185
Energy: 0.4277035810031465
Energy: 0.4201704889099963
Energy: 0.43935256469749645
Energy: 0.4420738214025992
Energy: 0.442151309587823
Energy: 0.4600663196630311
Energy: 0.41349214218770336
Energy: 0.436978823946371
Energy: 0.41546864590324833
Energy: 0.4615877880661754
Energy: 0.4588978386327131
Energy: 0.41432351383882277
Energy: 0.4397966631181875
Energy: 0.41469733398572267
Energy: 0.4613041926493817
Energy: 0.4230554184623567
Energy: 0.4603044114371138
Energy: 0.44154086073318327
Energy: 0.4459831907094959
Energy: 0.4270218496924788
Energy: 0.4239793608392341
Energy: 0.49690308851382736
Energy: 0.4442142558571125
Energy: 0.4362569046887552
Energy: 0.4250792658383682
Energy: 0.4312887499960214
Energy: 0.4361988166367814
Energy: 0.4232518431334688
Energy: 0.43771338662280646
Energy: 0.43223285113937143
Energy: 0.43217589475105744
Energy: 0.43566223561841644
Energy: 0.43203837927059613
Energy: 0.4382473059780227
Energy: 0.4338557179661957
Energy: 0.43566838505791616
Energy: 0.4508409956590784
Energy: 0.4331201140669217
Energy: 0.43171630766277375
Energy: 0.4569877169184795
Energy: 0.4597718579485866
Energy: 0.47377487717431616
Energy: 0.43091212481585095
Energy: 0.43290222836115205
Energy: 0.45896792242645656
Energy: 0.4352316618080606
Energy: 0.42051616317210794
Energy: 0.44165476097062284
Energy: 0.44912598310997637
Energy: 0.4355230695337599
Energy: 0.4163361981747539
Energy: 0.4157296428240872
Energy: 0.4398143184017022
Energy: 0.448227550539383
Energy: 0.43728732037493073
Energy: 0.4110546100335497
Energy: 0.438277042426231
Energy: 0.43177873966242175
Energy: 0.4324959344335402
Energy: 0.4355562393237391
Energy: 0.42242682927500935
Energy: 0.4377057522088866
Energy: 0.43304080822402974
Energy: 0.43288906293344626
Energy: 0.42580452238378114
Energy: 0.4594635412145252
Energy: 0.4185902025239137
Energy: 0.42992152098574715
Energy: 0.4274371748158781
Energy: 0.4132217188448384
Energy: 0.45984254066892993
Energy: 0.4202738149679184
Energy: 0.4283148562502408
Energy: 0.4271857829231144
Energy: 0.4168960766866807
Energy: 0.4216920659288586
Energy: 0.42548706458284236
Energy: 0.4954732426399604
Energy: 0.43713916405213665
Energy: 0.4357800181319528
Energy: 0.42248381489143066
Energy: 0.42727781867459724
Energy: 0.5040939650903873
Energy: 0.41594732384249083
Energy: 0.4355808293582317
Energy: 0.42411803697855577
Energy: 0.421562670071195
Energy: 0.4291556081229001
Energy: 0.43344398540074575
Energy: 0.4235963829081472
Energy: 0.4198799274130779
Energy: 0.42140070787906353
Energy: 0.42695050756144703
Energy: 0.42728621926889715
Energy: 0.4260460813334662
Energy: 0.4421606301228569
Energy: 0.4491211867823522
Energy: 0.47044867376708993
Energy: 0.41931531323104704
Energy: 0.4161841887129625
Energy: 0.44278466325167015
Energy: 0.4319936883837247
Energy: 0.4661654534708316
Energy: 0.41724104591620875
Energy: 0.4181097183535036
Energy: 0.415809912021233
Energy: 0.45821725578055666
Energy: 0.4076531363482341
Energy: 0.44573423268068535
Energy: 0.4241389127287273
Energy: 0.417032499138127
Energy: 0.4821413917780266
Energy: 0.41272831907676066
Energy: 0.4449633109278487
Energy: 0.4220799712111796
Energy: 0.44412841956772803
Energy: 0.42836083313825823
Energy: 0.4346284703696385
Energy: 0.4334683781088616
Energy: 0.4623464692684679
Energy: 0.44013072274747145
Energy: 0.42621925099515484
Energy: 0.4331437096437381
Energy: 0.4336563751892269
Energy: 0.4202105460560852
Energy: 0.43536151639637344
Energy: 0.45860126232734616
Energy: 0.4292262434737362
Energy: 0.43176914172410713
Energy: 0.4248451886535343
Energy: 0.43498194917231886
Energy: 0.45852012355584204
Energy: 0.442126717018628
Energy: 0.4190847237108523
Energy: 0.41386442343916435
Energy: 0.42873174105812795
Energy: 0.4441693365677106
Energy: 0.42365463366501505
Energy: 0.48169255864023475
Energy: 0.41760585595200617
Energy: 0.43310178548686934
Energy: 0.439978989711999
Energy: 0.42333376970991377
Energy: 0.6366421721864917
Energy: 0.4174550724408224
Energy: 0.44307098143901064
Energy: 0.43300136148872065
Energy: 0.4432392820093558
Energy: 0.42003652266923686
Energy: 0.4214360617206319
Energy: 0.44137540030977535
Energy: 0.43259659110755644
Energy: 0.4446693707528866
Energy: 0.4216003434016833
Energy: 0.409498272834944
Energy: 0.42377806572731247
Energy: 0.4316759624347742
Energy: 0.4206237799608473
Energy: 0.45819306043977687
Energy: 0.4223740482564281
Energy: 0.42570253947426395
Energy: 0.43203413459915213
Energy: 0.41657478315806024
Energy: 0.45836318514456503
Energy: 0.4212264809048567
Energy: 0.4094485978324642
Energy: 0.4135668160805162
Energy: 0.4846244297002819
Energy: 0.4188911972969268
Energy: 0.42591411239005517
Energy: 0.4131587751484333
Energy: 0.4154451565306617
Energy: 0.4828392901486005
Energy: 0.42347189515037903
Energy: 0.4367070530379578
Energy: 0.46615744436566253
Energy: 0.45944942337928196
Energy: 0.4364073336777394
Energy: 0.425496810225606
Energy: 0.4247678852580798
Energy: 0.46698222216131946
Energy: 0.4593862615373771
Energy: 0.42351327397421745
Energy: 0.42539049411201824
Energy: 0.42243140399652834
Energy: 0.42746950418846064
Energy: 0.4447886723062904
Energy: 0.4329223046886644
Energy: 0.42615360339244895
Energy: 0.4198735527399448
Energy: 0.4266878902005225
Energy: 0.4433480304661874
Energy: 0.43327484009146944
Energy: 0.426162172313324
Energy: 0.4441863681789159
Energy: 0.4131301738752683
Energy: 0.43111617700834387
Energy: 0.44327679466276815
Energy: 0.4389250866628197
Energy: 0.444097488202928
Energy: 0.43726292362139046
Energy: 0.43052919046240135
Energy: 0.4451336028626271
Energy: 0.43813172368554154
Energy: 0.42146031670117934
Energy: 0.42238163154465574
Energy: 0.44891623775444633
Energy: 0.44354721491955224
Energy: 0.4274562874623044
Energy: 0.43284113450031575
Energy: 0.44428892486236815
Energy: 0.4489995633845366
Energy: 0.45530050923448206
Energy: 0.4318083129307213
Energy: 0.42799529151595833
Energy: 0.43197573478219725
Energy: 0.4570486035342429
Energy: 0.4353837082680359
Energy: 0.4182125198322642
Energy: 0.44684444591639016
Energy: 0.4317534731970572
Energy: 0.4540558763880328
Energy: 0.45067814574894416
Energy: 0.41666113212817696
Energy: 0.42227000407462606
Energy: 0.43924394671457967
Energy: 0.4252219432403794
Energy: 0.44526599770736697
Energy: 0.46332307890967783
Energy: 0.428867289436098
Energy: 0.43875126053529845
Energy: 0.42744512916440425
Energy: 0.41708253885076735
Energy: 0.4618842955772766
Energy: 0.42887652961649075
Energy: 0.4252382296337412
Energy: 0.4608345289543078
Energy: 0.4301877259461427
Energy: 0.43457308092193464
Energy: 0.4221468601138211
Energy: 0.4178557418835744
Energy: 0.511359004270968
Energy: 0.42885191687779706
Energy: 0.41808355053447505
Energy: 0.42809518283186515
Energy: 0.438790183240468
Energy: 0.4253002063034213
Energy: 0.4418886926441775
Energy: 0.42625248618017725
Energy: 0.41560276662103596
Energy: 0.4518548340278043
Energy: 0.43304028828212543
Energy: 0.42329744191098373
Energy: 0.42877082895896107
Energy: 0.4170349993378949
Energy: 0.4246683451199679
Energy: 0.4269760123367042
Energy: 0.41226715808984904
Energy: 0.4321830807846671
Energy: 0.4190736779251825
Energy: 0.434052686711824
Energy: 0.42448523363745594
Energy: 0.4126620832912831
Energy: 0.43286173208351336
Energy: 0.4175180712274356
Energy: 0.4629727560808362
Energy: 0.44685844829752097
Energy: 0.4084846643785166
Energy: 0.41826438375801167
Energy: 0.43079041440527666
Energy: 0.4691640541977601
Energy: 0.42884175269048563
Energy: 0.41281161942895195
Energy: 0.41628907256412234
Energy: 0.41381023540171585
Energy: 0.45474756057251
Energy: 0.4348773124345346
Energy: 0.4665090505186003
Energy: 0.438707720256568
Energy: 0.419135915925184
Energy: 0.4531640840852537
Energy: 0.43595310157296646
Energy: 0.4661187943136262
Energy: 0.4392970372614319
Energy: 0.42076661672093535
Energy: 0.42380238007426696
Energy: 0.4380546655726978
Energy: 0.43596393677768724
Energy: 0.42589897070008575
Energy: 0.4583305179436954
Energy: 0.4176354817399019
Energy: 0.43897341972721166
Energy: 0.43387198497787854
Energy: 0.43558992653814566
Energy: 0.4571454052589204
Energy: 0.4362189448888029
Energy: 0.4037953448932982
Energy: 0.4748363377780546
Energy: 0.4299162102154148
Energy: 0.42593936330595283
Energy: 0.43656474595740796
Energy: 0.4046306512506736
Energy: 0.47498336648755096
Energy: 0.42974969046249956
Energy: 0.44334956300122047
Energy: 0.434926823163214
Energy: 0.43104856481821124
Energy: 0.4267743717392533
Energy: 0.45332145100589577
Energy: 0.4356364465002082
Energy: 0.4362537903715663
Energy: 0.4621613728604805
Energy: 0.4259461758134627
Energy: 0.45135969520706765
Energy: 0.4340558365335315
Energy: 0.425919841723507
Energy: 0.42419581472207396
Energy: 0.43094953067583797
Energy: 0.4239443500343385
Energy: 0.43544298900477274
Energy: 0.42613426751366806
Energy: 0.4393470360372947
Energy: 0.42872677020590083
Energy: 0.4255954455868729
Energy: 0.43684819279530124
Energy: 0.4204074289940534
Energy: 0.4647480133860954
Energy: 0.4183181143255694
Energy: 0.4315450773714907
Energy: 0.43423538777166515
Energy: 0.4187911761935931
Energy: 0.4626950900006406
Energy: 0.4370608296138371
Energy: 0.4310333072372124
Energy: 0.4215063814923418
Energy: 0.4218152210512756
Energy: 0.42850427770922556
Energy: 0.43170557673130805
Energy: 0.46958592079129313
Energy: 0.4250488005916898
Energy: 0.4368840037450848
Energy: 0.4309478492287322
Energy: 0.4206164104692041
Energy: 0.46842346926446987
Energy: 0.41341582143739786
Energy: 0.435939385231284
Energy: 0.42572136207896505
Energy: 0.4299464063690457
Energy: 0.4428708883535283
Energy: 0.4342668662608161
Energy: 0.43454149000690423
Energy: 0.4245038037523504
Energy: 0.43149018089353924
Energy: 0.4222321610314016
Energy: 0.4357921017354594
Energy: 0.4337365960952268
Energy: 0.45251650788255604
Energy: 0.42572832810337413
Energy: 0.45042827485395476
Energy: 0.435545468465281
Energy: 0.4357542553870503
Energy: 0.4541368961094855
Energy: 0.42336123483690935
Energy: 0.43804767333281625
Energy: 0.43388210022032364
Energy: 0.4364303574641132
Energy: 0.42967047302576555
Energy: 0.44992528256562575
Energy: 0.4245483246197404
Energy: 0.4551227959976199
Energy: 0.4330126487691711
Energy: 0.4300475908888617
Energy: 0.4485819511498644
Energy: 0.4231273079275293
Energy: 0.45325427167331417
Energy: 0.44595698527492167
Energy: 0.4205690875167659
Energy: 0.4369824040013218
Energy: 0.43792400952700633
Energy: 0.42993070842412956
Energy: 0.4477809152641807
Energy: 0.4115659341610766
Energy: 0.4385381171716656
Energy: 0.43660981103307694
Energy: 0.4311608982637843
Energy: 0.41996854313896914
Energy: 0.43069260551748495
Energy: 0.4571393846475602
Energy: 0.43682908225872363
Energy: 0.4543636186858543
Energy: 0.4180304042608636
Energy: 0.43744346813802354
Energy: 0.45766130259152127
Energy: 0.4362185827585122
Energy: 0.43011138537572635
Energy: 0.4168938658835023
Energy: 0.41801813386182024
Energy: 0.4100467120790395
Energy: 0.4145382769980788
Energy: 0.4591284738962779
Energy: 0.4161773315990093
Energy: 0.4405345488898257
Energy: 0.41004815544601697
Energy: 0.4162414962057376
Energy: 0.4594637741229066
Energy: 0.41693410162408184
Energy: 0.43017689571998724
Energy: 0.41261675002372555
Energy: 0.42479561985881914
Energy: 0.4397136699175663
Energy: 0.41872866036467155
Energy: 0.4295326981135831
Energy: 0.41242922975593455
Energy: 0.4243639044786197
Energy: 0.4115795917784581
Energy: 0.41593902065802724
Energy: 0.4290811316155464
Energy: 0.43319120532446503
Energy: 0.4217613302133165
Energy: 0.43720402652549256
Energy: 0.4146487195133603
Energy: 0.4280724386458695
Energy: 0.42886628776668123
Energy: 0.41019193155343
Energy: 0.43593823425187295
Energy: 0.4166213146148513
Energy: 0.42329911539668297
Energy: 0.42705354635681114
Energy: 0.4615432716919558
Energy: 0.4151941889236379
Energy: 0.4161449404021861
Energy: 0.43705701240303374
Energy: 0.4259686240335149
Energy: 0.4620904135970562
Energy: 0.414895587799805
Energy: 0.4167278349396681
Energy: 0.47146191980370666
Energy: 0.45354060365347587
Energy: 0.4277865762541976
Energy: 0.4378525272225236
Energy: 0.4188655152871934
Energy: 0.4724054334512778
Energy: 0.4439477497184601
Energy: 0.43354583365216737
Energy: 0.43778462845351535
Energy: 0.42074701586736013
Energy: 0.4156695059279223
Energy: 0.4501910042528314
Energy: 0.4432331725022348
Energy: 0.4331297918238165
Energy: 0.42605857839348754
Energy: 0.4134325300621983
Energy: 0.43560426354735793
Energy: 0.443851672626139
Energy: 0.43327011886964634
Energy: 0.4636425128126903
Energy: 0.4123605615862538
Energy: 0.4543560175717249
Energy: 0.4500375005235897
Energy: 0.44671560197519417
Energy: 0.43714309304177595
Energy: 0.41406080835750103
Energy: 0.45400838525091786
Energy: 0.4499973887951308
Energy: 0.4205396817710625

minimum gb energy = 0.4037953448932982 eV
minimum distance =  2.71642679136075 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

Energy: 0.6053494811309097
Energy: 0.4229773724889872
Energy: 0.42066674859661196
Energy: 0.4175169440652405
Energy: 0.4040157829312511
Energy: 0.4543327173577492
Energy: 0.42368879041853863
Energy: 0.4214910221067915
Energy: 0.41882288985263705
Energy: 0.40881323838573097
Energy: 0.44282558444277187
Energy: 0.4098803789694952
Energy: 0.4274298433045278
Energy: 0.41739947584234266
Energy: 0.4192265093270155
Energy: 0.43823559621431474
Energy: 0.4039087860193278
Energy: 0.42646015356699846
Energy: 0.4240020403367397
Energy: 0.4196757774166584
Energy: 0.4250193613247831
Energy: 0.42265242653065255
Energy: 0.42242125695554805
Energy: 0.43230909768370457
Energy: 0.4143208115845988
Energy: 0.4191365752456389
Energy: 0.41776128745040664
Energy: 0.4229466251739286
Energy: 0.43295629565840466
Energy: 0.42335149998944865
Energy: 0.4301774659514288
Energy: 0.41218968552749335
Energy: 0.44214320409640145
Energy: 0.4126532453647632
Energy: 0.45868707004777354
Energy: 0.4303988574885876
Energy: 0.4122380832998325
Energy: 0.4771289032610725
Energy: 0.4205278293913117
Energy: 0.42383075332944936
Energy: 0.4223204176308202
Energy: 0.4625882009481544
Energy: 0.4106592388070299
Energy: 0.4388566819866662
Energy: 0.42497261567605565
Energy: 0.42577188355645657
Energy: 0.4542118038360548
Energy: 0.42405881690406744
Energy: 0.42430143926310654
Energy: 0.42365846252564454
Energy: 0.42140297087699574
Energy: 0.42580122100967516
Energy: 0.42251211950329304
Energy: 0.43061668517931734
Energy: 0.42654399644522595
Energy: 0.4238352860608237
Energy: 0.4295091038180986
Energy: 0.43237352803591383
Energy: 0.43172077350854604
Energy: 0.4259899474694842
Energy: 0.4343672371829806
Energy: 0.42417188404171463
Energy: 0.43064138687775344
Energy: 0.42332156598950954
Energy: 0.4425971060603418
Energy: 0.4349068698841523
Energy: 0.42388474818360145
Energy: 0.42960936059044763
Energy: 0.4245335680687049
Energy: 0.42854685836999046
Energy: 0.4315083825339995
Energy: 0.4200399122763395
Energy: 0.43243344472860656
Energy: 0.4538351879746311
Energy: 0.43684648482680677
Energy: 0.4260192736985463
Energy: 0.4033401771362338
Energy: 0.4237109474599976
Energy: 0.453114743936422
Energy: 0.4319021902123737
Energy: 0.4249311038019523
Energy: 0.41622123773606284
Energy: 0.42857957378830225
Energy: 0.4475963675653769
Energy: 0.43591880162931207
Energy: 0.42421286907245964
Energy: 0.4135161027307242
Energy: 0.4293865270289337
Energy: 0.4329521772757674
Energy: 0.4222827762862571
Energy: 0.42765423655045964
Energy: 0.42118086517236075
Energy: 0.42772562542676695
Energy: 0.42753231971231903
Energy: 0.4208207196338035
Energy: 0.46966309553344193
Energy: 0.4229085732932751
Energy: 0.4298476695199266
Energy: 0.41343533579123076
Energy: 0.41978551332203445
Energy: 0.42066896275892496
Energy: 0.42917727206653017
Energy: 0.4547127649798508
Energy: 0.4333625124947804
Energy: 0.42007363248102325
Energy: 0.4160058331948979
Energy: 0.4269193599230545
Energy: 0.45441220571841734
Energy: 0.4119713189179625
Energy: 0.41945945787766636
Energy: 0.4152239525993409
Energy: 0.42156396059240425
Energy: 0.4319868061671524
Energy: 0.41213265431540097
Energy: 0.4201588037267123
Energy: 0.4142041734256109
Energy: 0.4258720122052328
Energy: 0.4333193001150307
Energy: 0.41118619019208186
Energy: 0.4180197380564795
Energy: 0.42385819569271244
Energy: 0.41799641842588003
Energy: 0.4211154052712981
Energy: 0.41258918564157476
Energy: 0.41533734849839676
Energy: 0.42545403611033794
Energy: 0.43735990654614665
Energy: 0.4173665604118438
Energy: 0.4121644400689947
Energy: 0.41351321929103274
Energy: 0.42535102471812736
Energy: 0.4492586078653385
Energy: 0.4228610670505627
Energy: 0.43996995222156215
Energy: 0.4135473274122815
Energy: 0.41425007039544653
Energy: 0.4168052340851438
Energy: 0.4318772577664868
Energy: 0.44241259519628096
Energy: 0.4153864493076161
Energy: 0.42942337664523356
Energy: 0.4332774464134626
Energy: 0.4263871768291978
Energy: 0.4170003077020939
Energy: 0.47020668054120657
Energy: 0.4404278446286985
Energy: 0.43303317320897816
Energy: 0.42560173784893346
Energy: 0.4244688660700905
Energy: 0.4174228590860819
Energy: 0.42966521298498095
Energy: 0.4321150026099993
Energy: 0.42492517655316
Energy: 0.41299485782914985
Energy: 0.4133482217918675
Energy: 0.4324185320363301
Energy: 0.4309237010627089
Energy: 0.42425199600201075
Energy: 0.4123608896570992
Energy: 0.4190257652124354
Energy: 0.426842095988891
Energy: 0.4308237013387989
Energy: 0.41999701272390183
Energy: 0.44208089406304624
Energy: 0.4134308792395365
Energy: 0.42632642145840655
Energy: 0.4310338291189197
Energy: 0.41968615926965913
Energy: 0.4423973685287135
Energy: 0.4117549470746142
Energy: 0.4385821292005764
Energy: 0.45078867126840266
Energy: 0.4240213931399514
Energy: 0.4271045285775917
Energy: 0.4296698623202128
Energy: 0.45793735349950004
Energy: 0.45031090349789377
Energy: 0.4241570749111537
Energy: 0.4320570807422091
Energy: 0.4302457689752066
Energy: 0.43139347403618344
Energy: 0.4375838874622259
Energy: 0.4224760866544333
Energy: 0.4463831313049818
Energy: 0.4311344249433601
Energy: 0.4321562994475847
Energy: 0.4125524858224269
Energy: 0.42250878459698055
Energy: 0.4443820078944439
Energy: 0.4268380510577359
Energy: 0.4350313528187594
Energy: 0.42839259230419463
Energy: 0.44875862875023026
Energy: 0.43097291618305755
Energy: 0.4058767655395589
Energy: 0.43346164247795255
Energy: 0.4299750688656616
Energy: 0.44839605064676347
Energy: 0.4155690934757416
Energy: 0.4058304369652241
Energy: 0.45304637680792587
Energy: 0.4333003630075444
Energy: 0.4277912358408579
Energy: 0.42097079795619685
Energy: 0.40466140560443564
Energy: 0.4143887904403614
Energy: 0.4328483271475972
Energy: 0.4200074024166668
Energy: 0.4209889416158738
Energy: 0.40447054171548785
Energy: 0.45281128854770863
Energy: 0.41316930320570655
Energy: 0.4180134835009489
Energy: 0.4342889299814244
Energy: 0.42270962036344506
Energy: 0.43286866225804743
Energy: 0.41353249288091176
Energy: 0.41794573174635824
Energy: 0.4191755271419135
Energy: 0.42605702216166647
Energy: 0.4126306173391853
Energy: 0.41003346778094324
Energy: 0.4205479518706365
Energy: 0.43019538242764327
Energy: 0.42374311432446987
Energy: 0.4133257842692965
Energy: 0.41238469015352164
Energy: 0.4198808899979227
Energy: 0.43083671022605213
Energy: 0.42306318562177314
Energy: 0.4216623634191464
Energy: 0.43237398790001946
Energy: 0.4532800208517323
Energy: 0.4241144038946298
Energy: 0.42322581670766873
Energy: 0.43797247564391933
Energy: 0.4176659763884351
Energy: 0.45513333293382424
Energy: 0.42115625225594766
Energy: 0.4236676992448598
Energy: 0.42401811775870757
Energy: 0.46393892732581
Energy: 0.40983963740928253
Energy: 0.44017029936991836
Energy: 0.4279446950961987
Energy: 0.42468041959244435
Energy: 0.4631186316441828
Energy: 0.4117322816956536
Energy: 0.42814553247995596
Energy: 0.4246011594083946
Energy: 0.42313324777113864
Energy: 0.4226514045006475
Energy: 0.43147244116399086
Energy: 0.4312460800666251
Energy: 0.4271490806784253
Energy: 0.4268767412272418
Energy: 0.4187663410910876
Energy: 0.4312527502844152
Energy: 0.43009839784576054
Energy: 0.4267258969281682
Energy: 0.4107433087962905
Energy: 0.4242793078233895
Energy: 0.4304987817745663
Energy: 0.4250924596722494
Energy: 0.4301577486878955
Energy: 0.4424047930454845
Energy: 0.42354531807693374
Energy: 0.4297046161931566
Energy: 0.4265048884207868
Energy: 0.43203275750293746
Energy: 0.4256020809327465
Energy: 0.4135347915829035
Energy: 0.4108151121123528
Energy: 0.4524109992409782
Energy: 0.4404022579450881
Energy: 0.42570378970993755
Energy: 0.4139625271147463
Energy: 0.4374575730151037
Energy: 0.45283306020811365
Energy: 0.4399631496507398
Energy: 0.42132221675441894
Energy: 0.4261097290182467
Energy: 0.4288347660466573
Energy: 0.43666191313717734
Energy: 0.43421887499312367
Energy: 0.42194714398297267
Energy: 0.4135057376194358
Energy: 0.4280734910974284
Energy: 0.43772391105120173
Energy: 0.4232420778891476
Energy: 0.45097281199900713
Energy: 0.42955913278362784
Energy: 0.41976966537237465
Energy: 0.4156324883144928
Energy: 0.4204262268082404
Energy: 0.46399208196514313
Energy: 0.4199811131791995
Energy: 0.43043488573628874
Energy: 0.41301586401589485
Energy: 0.420752969408649
Energy: 0.42200013239638623
Energy: 0.42275365853211894
Energy: 0.45342851263041495
Energy: 0.42326140224164627
Energy: 0.43199789049292203
Energy: 0.4224765632582927
Energy: 0.4224030955887652
Energy: 0.453250334563158
Energy: 0.4234557666618474
Energy: 0.43164438792628557
Energy: 0.41924337586569826
Energy: 0.4253604522684467
Energy: 0.43492418790206605
Energy: 0.411904057268723
Energy: 0.41136800472183765
Energy: 0.4200831070389016
Energy: 0.4217011381465071
Energy: 0.43707061366374467
Energy: 0.4122052174241889
Energy: 0.41016570507110045
Energy: 0.4305661782074159
Energy: 0.44478953295455026
Energy: 0.45085902670779116
Energy: 0.4131620751981909
Energy: 0.4209662547450605
Energy: 0.4247704373884294
Energy: 0.4281296354878069
Energy: 0.44908019486590706
Energy: 0.41284421066807253
Energy: 0.41929315508555104
Energy: 0.4063183288654777
Energy: 0.43547994029870435
Energy: 0.4295505549952402
Energy: 0.43550327815231477
Energy: 0.4862740313488601
Energy: 0.4125734727861331
Energy: 0.45972038144787764
Energy: 0.4290273168199488
Energy: 0.4409578111870101
Energy: 0.46772364380511344
Energy: 0.43534366409566594
Energy: 0.4263283673095728
Energy: 0.42420296641981725
Energy: 0.41097887738326727
Energy: 0.42657944864486913
Energy: 0.44026829432846765
Energy: 0.42556938237214403
Energy: 0.42294887080456117
Energy: 0.40931887625892305
Energy: 0.4315404496779213
Energy: 0.42913776246364504
Energy: 0.4352469928336015
Energy: 0.426384213509019
Energy: 0.41432739333918595
Energy: 0.43231689839237203
Energy: 0.43150570345992306
Energy: 0.432591708367087
Energy: 0.40848190835024667
Energy: 0.41772294670352583
Energy: 0.42094457967366394
Energy: 0.4273589016558645
Energy: 0.4387201974146374
Energy: 0.4344662165901095
Energy: 0.4261650860115594
Energy: 0.44263946980421753
Energy: 0.42904862513382874
Energy: 0.4306093742085969
Energy: 0.4301873407985574
Energy: 0.42423474622729135
Energy: 0.4188472406143019
Energy: 0.432960996612765
Energy: 0.45263822217898253
Energy: 0.431851028503989
Energy: 0.4229105699256492
Energy: 0.42839842163911773
Energy: 0.44300308835778535
Energy: 0.4522030645818713
Energy: 0.43054458231763815
Energy: 0.427786699239388
Energy: 0.4307274168364215
Energy: 0.4394426213323418
Energy: 0.4048960942650627
Energy: 0.4408843941368582
Energy: 0.43882133008934543
Energy: 0.43417261227517934
Energy: 0.4463103141220342
Energy: 0.4238178968234776
Energy: 0.4304512258707252
Energy: 0.43940607272529675
Energy: 0.43999568871122363
Energy: 0.4267844348669112
Energy: 0.4154064556715009
Energy: 0.4517447173856029
Energy: 0.4458251250950752
Energy: 0.4106438709861857
Energy: 0.41293345735021353
Energy: 0.4114757167601368
Energy: 0.45597030446366277
Energy: 0.4473839475579332
Energy: 0.40177360728421047

minimum gb energy = 0.40177360728421047 eV
minimum distance =  2.69262289523135 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.3919498703735652
Energy: 0.4011685507790761
Energy: 0.40564552636017925
Energy: 0.427414636654156
Energy: 0.39354598709714234
Energy: 0.3915403830718159
Energy: 0.40157616227822146
Energy: 0.4042931680978215
Energy: 0.4259182842745931
Energy: 0.39213066837510074
Energy: 0.4085223049869528
Energy: 0.4022289886736207
Energy: 0.3963887995214153
Energy: 0.4202236443805769
Energy: 0.41155868622636343
Energy: 0.41047200004411616
Energy: 0.3999456690503217
Energy: 0.3953189011936149
Energy: 0.4201312402088842
Energy: 0.41234961908515494
Energy: 0.40361650308654207
Energy: 0.421565877501252
Energy: 0.4008687158368228
Energy: 0.40553855532716043
Energy: 0.40533449897210755
Energy: 0.4035129202848961
Energy: 0.42135094265959044
Energy: 0.40030814515014873
Energy: 0.40565827593051096
Energy: 0.4051177258793916
Energy: 0.40961284347310883
Energy: 0.3994390345198495
Energy: 0.39230214896014315
Energy: 0.40273632896211164
Energy: 0.4054729914490651
Energy: 0.4091169580050959
Energy: 0.39836465138386007
Energy: 0.3922913785612624
Energy: 0.40340809164783126
Energy: 0.3932350547884607
Energy: 0.42369009881499475
Energy: 0.39248183566546235
Energy: 0.39467140425244884
Energy: 0.4062685963779186
Energy: 0.40308387253973116
Energy: 0.4215160293284914
Energy: 0.3911976259135743
Energy: 0.39486099911665395
Energy: 0.4068616986185249
Energy: 0.40298588583929235
Energy: 0.422189899517832
Energy: 0.40633672027907075
Energy: 0.4321138275679204
Energy: 0.39762616974630627
Energy: 0.3946605772985048
Energy: 0.42249689014940484
Energy: 0.4050160099130939
Energy: 0.42946625782144426
Energy: 0.39903126559131913
Energy: 0.39433816038526476
Energy: 0.4214472972232392
Energy: 0.38910623586026033
Energy: 0.40325869677960446
Energy: 0.40380450971692344
Energy: 0.40651668471224994
Energy: 0.4219138741879539
Energy: 0.3890504027876018
Energy: 0.40276789769816507
Energy: 0.40300961519411294
Energy: 0.4133276929322674
Energy: 0.41476427705773966
Energy: 0.443117673513323
Energy: 0.41004207774183077
Energy: 0.3938911125252859
Energy: 0.3939434314293172
Energy: 0.4190587830930558
Energy: 0.4426824646871487
Energy: 0.4089011458115626
Energy: 0.3941951144469276
Energy: 0.3936612744131384
Energy: 0.4003300567035377
Energy: 0.39609529020232837
Energy: 0.42020026231645885
Energy: 0.3907016337671789
Energy: 0.4064132926440021
Energy: 0.3996567911428155
Energy: 0.42139200565452795
Energy: 0.4205742290337808
Energy: 0.3907464550181599
Energy: 0.40608064136518685
Energy: 0.3993023779486805
Energy: 0.4014077968254336
Energy: 0.4271182150507035
Energy: 0.4200864999604186
Energy: 0.4213289398329045
Energy: 0.4003966264111147
Energy: 0.40284037207671397
Energy: 0.4347237875016375
Energy: 0.4187623166477668
Energy: 0.4214200199903845
Energy: 0.39740531903783854
Energy: 0.4029496028201585
Energy: 0.41394690258287414
Energy: 0.42224626521732145
Energy: 0.4094615721908341
Energy: 0.3975927170178947
Energy: 0.40356526983356894
Energy: 0.4146603594337943
Energy: 0.42183438226144226
Energy: 0.40856583961756554
Energy: 0.39192149144132726
Energy: 0.40149027334894355
Energy: 0.4039913721054277
Energy: 0.42474180582122006
Energy: 0.39344674899845455
Energy: 0.39208117061478537
Energy: 0.40245770915412615
Energy: 0.40444262698413164
Energy: 0.4244516143487912
Energy: 0.3924241287597563
Energy: 0.4115952201476636
Energy: 0.4002764646047623
Energy: 0.3961629993047255
Energy: 0.4202750144314813
Energy: 0.4117114609967927
Energy: 0.41011974753112956
Energy: 0.3994397982756564
Energy: 0.3954590184607501
Energy: 0.42053276207570717
Energy: 0.413886575057531
Energy: 0.40368899094024024
Energy: 0.4212036838597788
Energy: 0.4017225016654142
Energy: 0.4048411303745487
Energy: 0.4054184431720062
Energy: 0.4035264858099474
Energy: 0.421774811364975
Energy: 0.40080124821985125
Energy: 0.4055811085477671
Energy: 0.4049027374781588
Energy: 0.40991507627568335
Energy: 0.39921018117164553
Energy: 0.39331889632367284
Energy: 0.40271873244990797
Energy: 0.40635259748995983
Energy: 0.41017464282027577
Energy: 0.39769180268751914
Energy: 0.3918363013551183
Energy: 0.4035472254801342
Energy: 0.4055311910347954
Energy: 0.4233004386879679
Energy: 0.3930442918041419
Energy: 0.39555480308398855
Energy: 0.40615107881967066
Energy: 0.40301859150988933
Energy: 0.42149891905199266
Energy: 0.3918120406677397
Energy: 0.3911561497867902
Energy: 0.40688275359237164
Energy: 0.4030711230035549
Energy: 0.42248694797964376
Energy: 0.40585028568995724
Energy: 0.42849762486348675
Energy: 0.3970790088849907
Energy: 0.3948129671744864
Energy: 0.4226383852736898
Energy: 0.40467138111771855
Energy: 0.4258556433830279
Energy: 0.39852426969535043
Energy: 0.39457774113136584
Energy: 0.4216460004563438
Energy: 0.38910780436442627
Energy: 0.4036280422050672
Energy: 0.4033228252352937
Energy: 0.4058009964207506
Energy: 0.4217221035816151
Energy: 0.3891121032255396
Energy: 0.40325512471422714
Energy: 0.40274042406329325
Energy: 0.41362979166027725
Energy: 0.41993173719262405
Energy: 0.42760295910953305
Energy: 0.41029613900992806
Energy: 0.39325582969259704
Energy: 0.3936442119097558
Energy: 0.41834010080334255
Energy: 0.42785890159998435
Energy: 0.409285100791067
Energy: 0.3935093260644798
Energy: 0.393456577037339
Energy: 0.40000101767866475
Energy: 0.39563635443503453
Energy: 0.4200756287463669
Energy: 0.3908577667136446
Energy: 0.40630259403233965
Energy: 0.399376427344336
Energy: 0.4211255974252523
Energy: 0.42068575972633127
Energy: 0.397817489901537
Energy: 0.40558521671237
Energy: 0.3991078330042122
Energy: 0.4011842796219185
Energy: 0.43333743372308076
Energy: 0.4202152391280856
Energy: 0.4217493225319499
Energy: 0.40045106132036007
Energy: 0.4030014823883403
Energy: 0.4349672710683126
Energy: 0.41889895099928626
Energy: 0.4215960809912351
Energy: 0.39789381981537625
Energy: 0.40257515266321814
Energy: 0.41434880394178275
Energy: 0.4222346910592845
Energy: 0.40983777169421015
Energy: 0.3978732055631572
Energy: 0.40248534804043873
Energy: 0.4142283609986737
Energy: 0.4217667212491857
Energy: 0.40914322831049654

minimum gb energy = 0.3890504027876018 eV
minimum distance =  2.72102233704896 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.7085336801276899
Energy: 0.4498629994649926
Energy: 0.4329745920313473
Energy: 0.44482744771953675
Energy: 0.44113476971703397
Energy: 0.4397518626309164
Energy: 0.4407581930061462
Energy: 0.4353433653135874
Energy: 0.4472191651159062
Energy: 0.44760660559754867
Energy: 0.4127035777732078
Energy: 0.44575645009393955
Energy: 0.43676494983210024
Energy: 0.4424429888858772
Energy: 0.43481915678623034
Energy: 0.42221618648348735
Energy: 0.44342293199677735
Energy: 0.43782868176590256
Energy: 0.45056524375649687
Energy: 0.42601920665507753
Energy: 0.4495705347361811
Energy: 0.4571200357060373
Energy: 0.4518576793205339
Energy: 0.42384732760648514
Energy: 0.4608598981464558
Energy: 0.44920350977556506
Energy: 0.45077459599382125
Energy: 0.45335917778467577
Energy: 0.41608323842115835
Energy: 0.470298383869747
Energy: 0.41847749076851637
Energy: 0.42280618518592156
Energy: 0.43336519639889065
Energy: 0.4693365751605723
Energy: 0.4706911114546977
Energy: 0.42155007237128556
Energy: 0.42394612306453006
Energy: 0.441136934479621
Energy: 0.4678422629420212
Energy: 0.47163321102645717
Energy: 0.463325976365306
Energy: 0.43864238230926
Energy: 0.4406467625186265
Energy: 0.4316924164357116
Energy: 0.43619487288387515
Energy: 0.4612623528505852
Energy: 0.4400581770983375
Energy: 0.4162263865491002
Energy: 0.4281186867863094
Energy: 0.4360701272972913
Energy: 0.4325974808844117
Energy: 0.41520091433690115
Energy: 0.4241812337914463
Energy: 0.4526725078134606
Energy: 0.47937833372539623
Energy: 0.43506547654304434
Energy: 0.41466030245953395
Energy: 0.4374183331557357
Energy: 0.4543369100671166
Energy: 0.4892552996868346
Energy: 0.4200771283431804
Energy: 0.41251159791830516
Energy: 0.42119020485128594
Energy: 0.4484486528722696
Energy: 0.4434415100555345
Energy: 0.41998625075375445
Energy: 0.4115992189540627
Energy: 0.4229196024263535
Energy: 0.45051157187181895
Energy: 0.4232937058411278
Energy: 0.4281424268415456
Energy: 0.41661335841407826
Energy: 0.4225645316154891
Energy: 0.4407135776920938
Energy: 0.43746731766002
Energy: 0.42683360523245134
Energy: 0.41586549558975144
Energy: 0.42148094400311226
Energy: 0.4438387375706493
Energy: 0.4504903674454556
Energy: 0.4202373748435869
Energy: 0.4790042923480861
Energy: 0.44513608206082733
Energy: 0.440376327288886
Energy: 0.43829162892546975
Energy: 0.4201627156909479
Energy: 0.4779025836626404
Energy: 0.43789473328152906
Energy: 0.43748476677263554
Energy: 0.42988577322592875
Energy: 0.4573912826900474
Energy: 0.4310272532080959
Energy: 0.4196493985996601
Energy: 0.4123700894234342
Energy: 0.4319910116471314
Energy: 0.43617532834314027
Energy: 0.43406167475238805
Energy: 0.4187113592226617
Energy: 0.4124740790638528
Energy: 0.4326877296699643
Energy: 0.4243899336574598
Energy: 0.43310301715175076
Energy: 0.43034372981723745
Energy: 0.4194491711107382
Energy: 0.41636163264889137
Energy: 0.4610253065003948
Energy: 0.43448208142578165
Energy: 0.4313828734683963
Energy: 0.42032874128264225
Energy: 0.41823850458156214
Energy: 0.4894717967907124
Energy: 0.44976850436533317
Energy: 0.43190984237695984
Energy: 0.40992036859169523
Energy: 0.45808474845908187
Energy: 0.48521791676339787
Energy: 0.4352309810244198
Energy: 0.43222211386094944
Energy: 0.4174977804892748
Energy: 0.4564669567660578
Energy: 0.44041106841022437
Energy: 0.4422074218082561
Energy: 0.4506721036573965
Energy: 0.42791730977791675
Energy: 0.43909466740414077
Energy: 0.44279500623265355
Energy: 0.43052755896561334
Energy: 0.45113839376059856
Energy: 0.43229627243445756
Energy: 0.44053468206697344
Energy: 0.44773127798869977
Energy: 0.44680194432189047
Energy: 0.41047701698878974
Energy: 0.45060612447462517
Energy: 0.4300279791604815
Energy: 0.44597250025650487
Energy: 0.44715621734848726
Energy: 0.40736289538222314
Energy: 0.43652044179577026
Energy: 0.43237786360672853
Energy: 0.4482771293164526
Energy: 0.4253261295340332
Energy: 0.4729693237606164
Energy: 0.45496493277114713
Energy: 0.43701488104756425
Energy: 0.42786874151214227
Energy: 0.42515530690609854
Energy: 0.4733134058807859
Energy: 0.45427728740079576
Energy: 0.4394004066124425
Energy: 0.43837781680028975
Energy: 0.471906044654187
Energy: 0.4231730575384249
Energy: 0.4242732762508012
Energy: 0.4068077254260292
Energy: 0.47288959299126054
Energy: 0.4717876703648087
Energy: 0.42252329023877805
Energy: 0.4237069487851282
Energy: 0.40531565669495195
Energy: 0.4298301691097347
Energy: 0.4421036153291912
Energy: 0.43497042601972213
Energy: 0.4528409735122143
Energy: 0.438532161146704
Energy: 0.44017265497094354
Energy: 0.4390746556559956
Energy: 0.47207748823457396
Energy: 0.4573755382962647
Energy: 0.44211000340716533
Energy: 0.44296568980039375
Energy: 0.4766388527901303
Energy: 0.4828623620036213
Energy: 0.4203662850561065
Energy: 0.41680076626733614
Energy: 0.44312396642659124
Energy: 0.47484888426461247
Energy: 0.48172978503584085
Energy: 0.4197849958100301
Energy: 0.4175459644247046
Energy: 0.44287395207809216
Energy: 0.4450058905493191
Energy: 0.42373930907559293
Energy: 0.4148046665824542
Energy: 0.41443612940706354
Energy: 0.44575401588366603
Energy: 0.45020920772334677
Energy: 0.4229044626225661
Energy: 0.4163468145559234
Energy: 0.4157971856086759
Energy: 0.4134264542855743
Energy: 0.4387145458578995
Energy: 0.42887686093987293
Energy: 0.4246941498334948
Energy: 0.41795348225247475
Energy: 0.42418498996000237
Energy: 0.4374166611036024
Energy: 0.43174386191500375
Energy: 0.4219911182348487
Energy: 0.4200963669846259
Energy: 0.4479870802533407
Energy: 0.44044834168250996
Energy: 0.4254375404157737
Energy: 0.4343028980446372
Energy: 0.4374638409696484
Energy: 0.45153311332456925
Energy: 0.42362176380098787
Energy: 0.4204387252611007
Energy: 0.41819458283049027
Energy: 0.44140093790783463
Energy: 0.41321515480168475
Energy: 0.43773381092598
Energy: 0.4357123695942032
Energy: 0.47809638127255166
Energy: 0.4191914369112276
Energy: 0.41227410569248346
Energy: 0.43710630406021955
Energy: 0.4336815179761488
Energy: 0.4788445969835924
Energy: 0.4106982273263771
Energy: 0.4227428167987281
Energy: 0.4278869955773542
Energy: 0.41898175058655046
Energy: 0.4290942722225098
Energy: 0.4328276991260141
Energy: 0.42359147275014253
Energy: 0.42887265102985167
Energy: 0.4185200516888162
Energy: 0.43531239752852585
Energy: 0.4314754097147238
Energy: 0.4020804992605746
Energy: 0.42185086206475325
Energy: 0.4797732882990887
Energy: 0.47868738387065496
Energy: 0.43138818912487564
Energy: 0.4017409727161143
Energy: 0.4501741126500637
Energy: 0.4803357432193081
Energy: 0.4549553699577167
Energy: 0.4309240312511055
Energy: 0.4495810905585108
Energy: 0.43330706365561633
Energy: 0.43767391461489435
Energy: 0.44572403852312087
Energy: 0.43511318567868074
Energy: 0.43271041053887555
Energy: 0.43397101366771723
Energy: 0.4318766029355315
Energy: 0.4473733140979513
Energy: 0.4431981831391024
Energy: 0.43146820213420123
Energy: 0.42736463455709267
Energy: 0.43582335056410665
Energy: 0.4296449657570307
Energy: 0.4315104183994325
Energy: 0.43201544686084375
Energy: 0.4267037371635331
Energy: 0.43749968131806183
Energy: 0.4301477116858334
Energy: 0.4333588372171255
Energy: 0.4551427283118508
Energy: 0.4487236943592629
Energy: 0.43422551452688307
Energy: 0.4226136024861937
Energy: 0.4672404805352771
Energy: 0.45389102212734583
Energy: 0.4490931702238245
Energy: 0.4339779227168359
Energy: 0.4232518350559622
Energy: 0.46889792846403305
Energy: 0.41671658440656495
Energy: 0.4344206538988362
Energy: 0.43246100035848506
Energy: 0.47545259956983466
Energy: 0.48017251237778885
Energy: 0.41559489066243477
Energy: 0.45065315203475054
Energy: 0.43590174803966836
Energy: 0.47479750335565263
Energy: 0.4817860664701137
Energy: 0.46736709771224594
Energy: 0.43733434767310597
Energy: 0.4591686626947085
Energy: 0.4413379662846078
Energy: 0.44307970552772263
Energy: 0.4718175073079551
Energy: 0.43664398894753825
Energy: 0.4566857845573845
Energy: 0.44457579035549843
Energy: 0.423239654443782
Energy: 0.48111878285511195
Energy: 0.41634574660425383
Energy: 0.43653538811435333
Energy: 0.43584411821553626
Energy: 0.47818328889696654
Energy: 0.49060172177648126
Energy: 0.41713225947471405
Energy: 0.4381440627628047
Energy: 0.4811403268491881
Energy: 0.4874470893884691
Energy: 0.4206335829068529
Energy: 0.4165596661355007
Energy: 0.423359642547568
Energy: 0.4526740116233253
Energy: 0.4278021078349177
Energy: 0.41609713072240756
Energy: 0.4158117066157514
Energy: 0.4375688457379085
Energy: 0.45370376168190674
Energy: 0.44208527763316463
Energy: 0.4307886901917722
Energy: 0.4166582743367923
Energy: 0.4218190873523605
Energy: 0.4113876710760575
Energy: 0.4491391256816781
Energy: 0.43109187988334124
Energy: 0.415910668890709
Energy: 0.42338366916362846
Energy: 0.4208827384152448
Energy: 0.44658031300347434
Energy: 0.4265259827232645
Energy: 0.4437010530074029
Energy: 0.44490489120979904
Energy: 0.4388855342292399
Energy: 0.42088432111056506
Energy: 0.4181835457534761
Energy: 0.4427640376232987
Energy: 0.45158416740894913
Energy: 0.43948159264488795
Energy: 0.4314574747433786
Energy: 0.43606719783299874
Energy: 0.419089285015706
Energy: 0.4257613383160791
Energy: 0.4239755155537133
Energy: 0.4340996985991585
Energy: 0.4340932450629955
Energy: 0.42126140699598563
Energy: 0.42432482683965883
Energy: 0.4262020906732975
Energy: 0.43575325165408135
Energy: 0.4211655921371634
Energy: 0.42115723759683743
Energy: 0.43268185229741396
Energy: 0.41916803883482295
Energy: 0.43218333312546964
Energy: 0.43892077660458145
Energy: 0.4266890742564737
Energy: 0.42970666990474915
Energy: 0.4197116602989412
Energy: 0.4323618375377812
Energy: 0.48949735015942286
Energy: 0.45261254260133554
Energy: 0.4296157937266884
Energy: 0.4089862333430401
Energy: 0.4559220125363102
Energy: 0.48576024223799363
Energy: 0.443513809849323
Energy: 0.41991036937197146
Energy: 0.40910068053657417
Energy: 0.4568203118935688
Energy: 0.4707696379374641
Energy: 0.43789719521034914
Energy: 0.4574360800471597
Energy: 0.43304450485926965
Energy: 0.4496594986118661
Energy: 0.4691511572328357
Energy: 0.4371262029609358
Energy: 0.4475267348762008
Energy: 0.43499292489280955
Energy: 0.4491912546756339
Energy: 0.44987344830895115
Energy: 0.44695972844563575
Energy: 0.4119562835115809
Energy: 0.438109358154521
Energy: 0.427635771742422
Energy: 0.4483777557365258
Energy: 0.4477208776642389
Energy: 0.44347891992383287
Energy: 0.43628887051764387
Energy: 0.4272166468574641
Energy: 0.44415592149068417
Energy: 0.4218186515947459
Energy: 0.4628168239459512
Energy: 0.45411164589273795
Energy: 0.44281990135860255
Energy: 0.4286457443305349
Energy: 0.4214254715368331
Energy: 0.4640682884105495
Energy: 0.45312672107227003
Energy: 0.43982343781557387
Energy: 0.4318154932195367
Energy: 0.46943348023861103
Energy: 0.4637182951668136
Energy: 0.4582059923170664
Energy: 0.4117858295172293
Energy: 0.4302059931162392
Energy: 0.46949704196966685
Energy: 0.46190530251773093
Energy: 0.45819555228712405
Energy: 0.40602673267263933
Energy: 0.4410507671674046
Energy: 0.4355588537827426
Energy: 0.4327314432653127
Energy: 0.4739709209579641
Energy: 0.4379616804229798
Energy: 0.438220623244488
Energy: 0.4409609788082233
Energy: 0.42780501792206665
Energy: 0.4677491218596378
Energy: 0.4432563851486083
Energy: 0.4388813781912747
Energy: 0.4806657057169662
Energy: 0.4754228404484612
Energy: 0.4265750823803361
Energy: 0.41873977668778173
Energy: 0.44075867471430186
Energy: 0.48062279318828
Energy: 0.4751815956356863
Energy: 0.42459923631056257
Energy: 0.4150161007221621
Energy: 0.4394512832893642
Energy: 0.4415391053291149
Energy: 0.42192451254855173
Energy: 0.41469240702298804
Energy: 0.4152604249729082
Energy: 0.44192286607836634
Energy: 0.48847157758515786
Energy: 0.4235162634588385
Energy: 0.4150691514082707
Energy: 0.4143563474161593
Energy: 0.4247137147820636
Energy: 0.439229770283339
Energy: 0.42378864220248746
Energy: 0.4271212701461782
Energy: 0.4143829589233889
Energy: 0.42763967874149184
Energy: 0.43922402475617817
Energy: 0.4293747111025436
Energy: 0.4252741303256623
Energy: 0.41354626396666605
Energy: 0.44217304946508007
Energy: 0.41801510234588746
Energy: 0.42996219672996727
Energy: 0.43638293042804066
Energy: 0.45568069375577436
Energy: 0.42486441366250455
Energy: 0.4121686818803237
Energy: 0.42599353878148416
Energy: 0.4349567899211652
Energy: 0.43517768581262023
Energy: 0.41348976136672955
Energy: 0.42224476081513757
Energy: 0.42571843997553055
Energy: 0.4769038054546248
Energy: 0.4044225954887232
Energy: 0.41921825031724175
Energy: 0.4240703004563932
Energy: 0.42512402034284624
Energy: 0.47795439977775295
Energy: 0.40436193247324426
Energy: 0.4133460741967241
Energy: 0.4149115110849276
Energy: 0.42331696186840895
Energy: 0.4397304368271437
Energy: 0.4380884980318276
Energy: 0.4131671190617436
Energy: 0.41684074545970157
Energy: 0.42421767604483507
Energy: 0.43140342659442205
Energy: 0.43933507461051247
Energy: 0.4144660339853079
Energy: 0.4137432502932393
Energy: 0.47817041217128736
Energy: 0.4800667821061229
Energy: 0.4360663896252569
Energy: 0.4174049152306767
Energy: 0.43091732345908806
Energy: 0.4790759628897942
Energy: 0.4522125625888644
Energy: 0.4395492550732585
Energy: 0.44083386883057946
Energy: 0.46063429971041847
Energy: 0.45146336864821557
Energy: 0.465814698676696
Energy: 0.4134164905244141
Energy: 0.4395423641371998
Energy: 0.4432911693606554
Energy: 0.4518205467772132
Energy: 0.44359543688823616
Energy: 0.41829178137779993

minimum gb energy = 0.4017409727161143 eV
minimum distance =  2.69719625751304 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.5456225208947523
Energy: 0.42676716118700997
Energy: 0.4470702450834785
Energy: 0.4590766257627269
Energy: 0.42856989442337395
Energy: 0.5214672489464696
Energy: 0.42770839796578725
Energy: 0.4210546652131456
Energy: 0.4531268649177323
Energy: 0.4361945018776341
Energy: 0.3974184594753179
Energy: 0.4522400954157895
Energy: 0.4393072730918573
Energy: 0.4491575655631026
Energy: 0.4370001160670915
Energy: 0.39779108360129256
Energy: 0.45251388519510166
Energy: 0.44144112938652874
Energy: 0.4251531769705336
Energy: 0.4380005962124702
Energy: 0.4238429387325095
Energy: 0.42642041950161697
Energy: 0.4460350203158058
Energy: 0.39573422006236725
Energy: 0.42100183650972745
Energy: 0.4174968028076787
Energy: 0.42811870485740267
Energy: 0.44592915311499187
Energy: 0.39569619700329106
Energy: 0.4342783341661188
Energy: 0.4114716074377636
Energy: 0.3964216208819479
Energy: 0.44535448048981957
Energy: 0.4333841815355297
Energy: 0.4337299313986339
Energy: 0.4117868752884528
Energy: 0.4011600315907286
Energy: 0.4487209050632725
Energy: 0.4316077878617183
Energy: 0.4283871831691961
Energy: 0.43111246288114774
Energy: 0.4089865310384705
Energy: 0.39701565369469083
Energy: 0.39587709334846366
Energy: 0.41073845618149063
Energy: 0.4069663228023728
Energy: 0.4625936576642389
Energy: 0.3969970401631938
Energy: 0.3965219687883927
Energy: 0.41343466068665946
Energy: 0.3986126979466362
Energy: 0.41699099087289176
Energy: 0.40304609497882976
Energy: 0.41326605911034464
Energy: 0.39727906262414164
Energy: 0.3986589286055812
Energy: 0.41735627035180245
Energy: 0.43204803662503904
Energy: 0.4137754808418482
Energy: 0.3976880754260099
Energy: 0.427346840630687
Energy: 0.41719105186653405
Energy: 0.42352426149223127
Energy: 0.42263939465458217
Energy: 0.4011589703191956
Energy: 0.4171181379650474
Energy: 0.4186071569613991
Energy: 0.42446977662405694
Energy: 0.42382169199870817
Energy: 0.40966189945523246
Energy: 0.424412385710117
Energy: 0.4271613873273992
Energy: 0.4021140399812417
Energy: 0.4190888739881007
Energy: 0.4203766245814619
Energy: 0.4235353671509139
Energy: 0.4293603775245501
Energy: 0.40118449133375095
Energy: 0.4167733789640001
Energy: 0.4202190560817555
Energy: 0.3965311466769655
Energy: 0.4462057425262858
Energy: 0.45225107894076505
Energy: 0.4552723413411014
Energy: 0.4031726207002166
Energy: 0.39517449822702005
Energy: 0.4458010253841274
Energy: 0.45224232392650343
Energy: 0.4563156315806143
Energy: 0.4027577833861381
Energy: 0.4087076775739051
Energy: 0.40047621968427977
Energy: 0.40048851439493693
Energy: 0.3991641727499403
Energy: 0.43110554376900595
Energy: 0.43007425704176816
Energy: 0.39703533987131145
Energy: 0.40034922165458053
Energy: 0.39969465142179395
Energy: 0.4597308434913481
Energy: 0.39788422165297255
Energy: 0.3996156282116724
Energy: 0.42376838791973204
Energy: 0.4357511396291456
Energy: 0.39337766797304036
Energy: 0.40553996338710957
Energy: 0.4003695054691484
Energy: 0.4253862969734278
Energy: 0.43567122850787854
Energy: 0.40057411645053204
Energy: 0.39714566076784097
Energy: 0.395549582170452
Energy: 0.40199644571323573
Energy: 0.4155611690825746
Energy: 0.4095550031284032
Energy: 0.3967609511102094
Energy: 0.3953827828417299
Energy: 0.40354349011182633
Energy: 0.4046180659909274
Energy: 0.4077570539954823
Energy: 0.3969367043115196
Energy: 0.39546690099043635
Energy: 0.48127097073491115
Energy: 0.4792395394446144
Energy: 0.4096441665620183
Energy: 0.39675313986715205
Energy: 0.3948235719577008
Energy: 0.48324665304841913
Energy: 0.47806381617131266
Energy: 0.40767323744269723
Energy: 0.45499366663695934
Energy: 0.4081254453759421
Energy: 0.4446625556425027
Energy: 0.4077076433958894
Energy: 0.39355923471260507
Energy: 0.4544397602951997
Energy: 0.40785392431248263
Energy: 0.44590427361946344
Energy: 0.4008510873596292
Energy: 0.39619002103949513

minimum gb energy = 0.39337766797304036 eV
minimum distance =  2.772201467228 Angstroms
sigma value = 33