Model name: model_name=EAM_Dynamo_Foiles_1985_Ni__MO_010059867259_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999977946282
cohesive_energy=4.450349978791505
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.018160033717189782
Energy: 0.018614473884903063
Energy: 1.2294406536599172
Energy: 0.018614473884903063
Energy: 0.018614473885564593
Energy: 1.2272079321524674
Energy: 0.018614473884903063
Energy: 1.227207932153129
Energy: 1.2294406536599172
Energy: 0.018614473884903063
Energy: 0.018160033717189782
Energy: 0.018614473884903063
Energy: 0.018614473884903063
Energy: 1.227207932153129
Energy: 0.018614473885564593
Energy: 1.227207932153129

minimum gb energy = 0.018160033717189782 eV
minimum distance =  2.41960600569247 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.4531201209052929
Energy: 1.4634760090056316
Energy: 1.328875882036228
Energy: 1.463476009006434
Energy: 1.3610497279436677
Energy: 1.43367137910072
Energy: 1.3451678494467214
Energy: 1.433671379098313
Energy: 1.2872621890089653
Energy: 1.4465459241543894
Energy: 1.3454761324565538
Energy: 1.4465459241559941
Energy: 1.3342191069286442
Energy: 1.477739830434392
Energy: 1.3225818196953638
Energy: 1.4777398304335898
Energy: 1.3377925026974102
Energy: 1.4659124357162587
Energy: 1.347020226385271
Energy: 1.4659124357186657
Energy: 1.2870628924071097
Energy: 1.4256483178778272
Energy: 1.2839887136895747
Energy: 1.4256483178722112
Energy: 1.3655277385904303
Energy: 1.4465153445752972
Energy: 1.2889600577784803
Energy: 1.4465153445728904
Energy: 1.20884234286437
Energy: 1.4652769255502618
Energy: 1.2814965275914296
Energy: 1.4652769255494593
Energy: 1.3240451961120625
Energy: 1.3494040675435646
Energy: 1.3530122303707386
Energy: 1.3494040675403554
Energy: 1.2775240750614383
Energy: 1.4461311758397595
Energy: 1.2005124734881198
Energy: 1.4461311758381548
Energy: 1.3444759192797087
Energy: 1.4342122611824315
Energy: 1.3243189038586995
Energy: 1.434212261186443
Energy: 1.325526314381899
Energy: 1.4650869770259687
Energy: 1.291752288055098
Energy: 1.4650869770251664
Energy: 1.3443283572574316
Energy: 1.4458735471638051
Energy: 1.365078461042108
Energy: 1.4458735471734325
Energy: 1.3525390849711654
Energy: 1.453398950119943
Energy: 1.3125816844489016
Energy: 1.4533989501215474
Energy: 1.3461264311537404
Energy: 1.4633930669601714
Energy: 1.3444511125891798
Energy: 1.463393066959369
Energy: 1.345161150837002
Energy: 1.4637257028408674
Energy: 1.344660481421683
Energy: 1.463725702839263
Energy: 1.3460126762200597
Energy: 1.4465755150771553
Energy: 1.2632007518805743
Energy: 1.4465755150771553
Energy: 1.3458257850178816
Energy: 1.4249659640814327
Energy: 1.3616869982781956
Energy: 1.424965964076619
Energy: 1.2832126695179629
Energy: 1.4644792155586808
Energy: 1.29158470282125
Energy: 1.4644792155562738
Energy: 1.3611926302877795
Energy: 1.3488523241332093
Energy: 1.3283134548931237
Energy: 1.3488523241364185
Energy: 1.2797300498794566
Energy: 1.4464792742898127
Energy: 1.2383951935130564
Energy: 1.446479274290615
Energy: 1.3227597526455224
Energy: 1.4454294861347572
Energy: 1.3463395153947846
Energy: 1.4454294861355594
Energy: 1.3450693662122273
Energy: 1.4658261354730484
Energy: 1.272461485424238
Energy: 1.4658261354650255
Energy: 1.320288666882714
Energy: 1.447157745621913
Energy: 1.2871722271469175
Energy: 1.4471577456227154
Energy: 1.288691201232588
Energy: 1.4242166297445122
Energy: 1.3654198942248
Energy: 1.4242166297453147
Energy: 1.3424029080780573
Energy: 1.4654607709076872
Energy: 1.2726541218149914
Energy: 1.465460770906885
Energy: 1.3429184385592987
Energy: 1.4310657107148104
Energy: 1.3239160766774125
Energy: 1.4310657107075897
Energy: 1.2703015272382998
Energy: 1.4459610277819723
Energy: 1.3461670115603428
Energy: 1.4459610277795654
Energy: 1.3600483533379784
Energy: 1.499236366101507
Energy: 1.3445038361113568
Energy: 1.4992363661007047
Energy: 1.3658753601876146
Energy: 1.463859039604962
Energy: 1.3288865087396209
Energy: 1.4638590396057642
Energy: 1.3572094300460875
Energy: 1.4558393796880336
Energy: 1.344263609111783
Energy: 1.4558393796872313
Energy: 1.323119392162595
Energy: 1.4475833941990055
Energy: 1.3528239408079508
Energy: 1.4475833942014122
Energy: 1.3376998368051363
Energy: 1.4763629695043246
Energy: 1.3235149499798606
Energy: 1.4763629695051268

minimum gb energy = 1.2005124734881198 eV
minimum distance =  2.23694297221864 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.5557583723039066
Energy: 1.56284786456056
Energy: 1.4066520242921303
Energy: 1.562847864555986
Energy: 1.4075178229926442
Energy: 1.5155707178335944
Energy: 1.4121453859073334
Energy: 1.5155707178281062
Energy: 1.3507483716871027
Energy: 1.5632369635591439
Energy: 1.413855560294491
Energy: 1.5632369635682914
Energy: 1.3707652986283554
Energy: 1.3942595223972696
Energy: 1.3510116687573115
Energy: 1.3942595224000138
Energy: 1.358988552512744
Energy: 1.5369567225837124
Energy: 1.4052164213219074
Energy: 1.5369567226047518
Energy: 1.4243637371835063
Energy: 1.5370777546608934
Energy: 1.3094985787191988
Energy: 1.5370777546608934
Energy: 1.407214469797643
Energy: 1.3957988314492695
Energy: 1.3728286787714425
Energy: 1.395798831459332
Energy: 1.2576629774235129
Energy: 1.5628409858028167
Energy: 1.3379617506719041
Energy: 1.5628409858083052
Energy: 1.3726354740154931
Energy: 1.4352764249475902
Energy: 1.412050103303042
Energy: 1.4352764249621848
Energy: 1.357315907921909
Energy: 1.5625692756077145
Energy: 1.3549118506897928
Energy: 1.5625692756150327
Energy: 1.4068921050927041
Energy: 1.4886722416738216
Energy: 1.412214940877881
Energy: 1.4886722416628446
Energy: 1.316157814072521
Energy: 1.5496922576631993
Energy: 1.4118605919515437
Energy: 1.549692257671432
Energy: 1.4288466631911632
Energy: 1.5358453728596895
Energy: 1.3893571087587466
Energy: 1.5358453728569452
Energy: 1.4288031353660318
Energy: 1.5358534714192358
Energy: 1.424741296798487
Energy: 1.5358534714137473
Energy: 1.3159378974129592
Energy: 1.549860021344632
Energy: 1.414477368127197
Energy: 1.5498600213620122
Energy: 1.4071751802025227
Energy: 1.4884823495699395
Energy: 1.3963073270629163
Energy: 1.4884823495562178
Energy: 1.3573185759943096
Energy: 1.562556019560284
Energy: 1.3549348821843097
Energy: 1.5625560195419885
Energy: 1.3697369315634877
Energy: 1.4354615748489374
Energy: 1.4120846659360362
Energy: 1.4354615748461932
Energy: 1.2576644645072463
Energy: 1.5625547437602119
Energy: 1.3553247228861696
Energy: 1.5625547437638707
Energy: 1.4069617868941302
Energy: 1.3958515737038424
Energy: 1.346275738661268
Energy: 1.3958515737029278
Energy: 1.4239705638917897
Energy: 1.5371201698356027
Energy: 1.395717988878015
Energy: 1.5371201698429207
Energy: 1.359265243327156
Energy: 1.5375796651602045
Energy: 1.402108065647522
Energy: 1.5375796651583749
Energy: 1.3704288909524769
Energy: 1.4016103033463598
Energy: 1.3962736983630952
Energy: 1.4016103033573373
Energy: 1.3507329920260567
Energy: 1.5634777322183444
Energy: 1.4051290791102555
Energy: 1.5634777322293214
Energy: 1.407690630245275
Energy: 1.5157922545274662
Energy: 1.4120639419851446
Energy: 1.5157922545256368
Energy: 1.5557583723066506
Energy: 1.562847864559645
Energy: 1.4537400565575962
Energy: 1.5628478645541566
Energy: 1.4075178229908147
Energy: 1.5155707178326798
Energy: 1.4121453859082482
Energy: 1.5155707178217444
Energy: 1.3507483716871027
Energy: 1.5632369635591439
Energy: 1.4119419872176873
Energy: 1.5632369635664618
Energy: 1.3707652986329293
Energy: 1.3942595224000138
Energy: 1.3462426589937895
Energy: 1.3942595224082466

minimum gb energy = 1.2576629774235129 eV
minimum distance =  2.23221798295968 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.5565594919326036
Energy: 1.6453007160664657
Energy: 1.4931778166294285
Energy: 1.645300716055832
Energy: 1.4751555658548068
Energy: 1.5783933425896393
Energy: 1.4898872521210802
Energy: 1.5783933425854342
Energy: 1.4317045171771
Energy: 1.6835553053345067
Energy: 1.4906237944846357
Energy: 1.6835553053302532
Energy: 1.4786876531282331
Energy: 1.5862968679595435
Energy: 1.409369471252323
Energy: 1.5862968679637968
Energy: 1.4524840080731678
Energy: 1.642918075705554
Energy: 1.38436479566355
Energy: 1.642918075705554
Energy: 1.5196679939995368
Energy: 1.6842295120108073
Energy: 1.48830252226081
Energy: 1.6842295120118707
Energy: 1.4580888810146901
Energy: 1.4748344763531418
Energy: 1.4430064383634906
Energy: 1.4748344763552685
Energy: 1.5100513139450469
Energy: 1.6441616538220696
Energy: 1.3825752569750096
Energy: 1.6441616538327035
Energy: 1.4433359705340738
Energy: 1.5909439308741156
Energy: 1.458031893898227
Energy: 1.5909439308751792
Energy: 1.49225265410047
Energy: 1.6842495970425542
Energy: 1.4584721813666637
Energy: 1.6842495970404274
Energy: 1.4746222788343584
Energy: 1.6423831379013165
Energy: 1.4560219135184047
Energy: 1.6423831378959997
Energy: 1.4099179280993885
Energy: 1.6403467848089002
Energy: 1.4564316864746474
Energy: 1.6403467848046467
Energy: 1.491571028763002
Energy: 1.659519272425361
Energy: 1.4188664023836832
Energy: 1.6595192724296144
Energy: 1.4957095599738974
Energy: 1.5272561905413433
Energy: 1.5070343944972364
Energy: 1.52725619054347
Energy: 1.358715808687908
Energy: 1.6428864147859275
Energy: 1.3805276522760328
Energy: 1.6428864147827373
Energy: 1.4561462832962673
Energy: 1.4893254784771766
Energy: 1.40919282932905
Energy: 1.4893254784793035
Energy: 1.3590565406691286
Energy: 1.6838590118090844
Energy: 1.3575318570374646
Energy: 1.6838590118027037
Energy: 1.4088900533846078
Energy: 1.5843067659402272
Energy: 1.473607222374529
Energy: 1.5843067659444805
Energy: 1.4259473798186713
Energy: 1.6433955258820643
Energy: 1.4098208479524752
Energy: 1.643395525884191
Energy: 1.407113110361626
Energy: 1.6839300701579625
Energy: 1.4892176665228702
Energy: 1.6839300701590258
Energy: 1.4630588646409475
Energy: 1.5448981051818562
Energy: 1.4871829804870795
Energy: 1.5448981051797295
Energy: 1.5238385692353167
Energy: 1.6497144805494353
Energy: 1.533418940522544
Energy: 1.6497144805547521
Energy: 1.473637789173395
Energy: 1.6110250811183169
Energy: 1.487307756148595
Energy: 1.6110250811161901
Energy: 1.39897812278194
Energy: 1.684086833242789
Energy: 1.4922881099082752
Energy: 1.684086833242789
Energy: 1.45704593280289
Energy: 1.5867911584859598
Energy: 1.428724799391924
Energy: 1.5867911584880867

minimum gb energy = 1.3575318570374646 eV
minimum distance =  2.22621133838869 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.5765565474210352
Energy: 1.576236230874497
Energy: 1.5831784630390862
Energy: 1.576236230874497
Energy: 1.5087409413560962
Energy: 1.671029039236981
Energy: 1.5505386241613661
Energy: 1.6710290392382499
Energy: 1.4044391771920515
Energy: 1.5656952419171932
Energy: 1.5325384806146491
Energy: 1.5656952419159247
Energy: 1.5611470976350759
Energy: 1.69822139739288
Energy: 1.4324931383426809
Energy: 1.698221397387806
Energy: 1.6328901532606983
Energy: 1.6708902063717306
Energy: 1.5326820212583554
Energy: 1.6708902063717306
Energy: 1.3880830295790152
Energy: 1.564967140845906
Energy: 1.4330244402091703
Energy: 1.5649671408421004
Energy: 1.5551313061200445
Energy: 1.432993278899179
Energy: 1.4344688909108332
Energy: 1.4329932789067903
Energy: 1.5237592340967203
Energy: 1.5646698384798974
Energy: 1.419609280738552
Energy: 1.564669838481166
Energy: 1.5569172939201221
Energy: 1.6707433246473051
Energy: 1.5563590662087377
Energy: 1.6707433246447683
Energy: 1.567666163498172
Energy: 1.5734500621983127
Energy: 1.432644196478217
Energy: 1.57345006219197
Energy: 1.4720068964278323
Energy: 1.6708861321882436
Energy: 1.5319412101689338
Energy: 1.6708861321869748
Energy: 1.5609723015903347
Energy: 1.6108721843230658
Energy: 1.4324865248837284
Energy: 1.6108721843192602
Energy: 1.3880884595201988
Energy: 1.5747521865933352
Energy: 1.441876107494019
Energy: 1.5747521865946037
Energy: 1.5045749169603246
Energy: 1.5713478154476002
Energy: 1.5513054093282979
Energy: 1.5713478154476002
Energy: 1.3880877712680708
Energy: 1.5745781756965231
Energy: 1.5237871158339862
Energy: 1.574578175693986
Energy: 1.5609462209804594
Energy: 1.6106410289055952
Energy: 1.4323696833711912
Energy: 1.6106410289055952
Energy: 1.4720227085470992
Energy: 1.6708048010450023
Energy: 1.4832683095451358
Energy: 1.6708048010373908
Energy: 1.567753307667032
Energy: 1.5735009901044752
Energy: 1.4328342749816347
Energy: 1.5735009901044752
Energy: 1.556817094024639
Energy: 1.670798658187148
Energy: 1.4858692359988996
Energy: 1.670798658187148
Energy: 1.5239292012591037
Energy: 1.5647431457252283
Energy: 1.4196195764613315
Energy: 1.5647431457277652
Energy: 1.555162668121945
Energy: 1.432753347631361
Energy: 1.434468987305794
Energy: 1.4327533476250183

minimum gb energy = 1.3880830295790152 eV
minimum distance =  2.31748597326554 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.4904636228985382
Energy: 1.6217882362720701
Energy: 1.6458882563790744
Energy: 1.6217882362673637
Energy: 1.4684885136420065
Energy: 1.6890546867742229
Energy: 1.4529572495461085
Energy: 1.689054686772654
Energy: 1.4534990496568876
Energy: 1.5960675134651365
Energy: 1.4525479238105867
Energy: 1.596067513468274
Energy: 1.4896207165416668
Energy: 1.564500541165069
Energy: 1.642171325193905
Energy: 1.5645005411697754
Energy: 1.6383653357216326
Energy: 1.4687456078041576
Energy: 1.5270294528066537
Energy: 1.468745607808864
Energy: 1.4572874105922666
Energy: 1.6984210149740113
Energy: 1.4553860685639015
Energy: 1.6984210149740113
Energy: 1.4530967169528906
Energy: 1.5639234654880882
Energy: 1.453028134784104
Energy: 1.563923465484951
Energy: 1.622115142882468
Energy: 1.6218760571933173
Energy: 1.4884651245784581
Energy: 1.6218760572372433
Energy: 1.452668976567743
Energy: 1.6863530529643256
Energy: 1.4707997229307768
Energy: 1.6863530529627568
Energy: 1.6849579757898565
Energy: 1.5981904603992476
Energy: 1.455533491472007
Energy: 1.5981904604007808
Energy: 1.5442472682642265
Energy: 1.5644579261663714
Energy: 1.8025924356012144
Energy: 1.5644579261695086
Energy: 1.4531858735341103
Energy: 1.50619223650678
Energy: 1.6847176941169935
Energy: 1.506192236505211
Energy: 1.6226780702479469
Energy: 1.595967685240329
Energy: 1.452638432626493
Energy: 1.5959676852356584
Energy: 1.452602513526292
Energy: 1.5643868257516744
Energy: 1.4893872426710502
Energy: 1.564386825753243
Energy: 1.5069338579807128
Energy: 1.6772795335303925
Energy: 1.6224703041296349
Energy: 1.677279533527255
Energy: 1.4691811941342503
Energy: 1.6140492516736555
Energy: 1.4570164692419612
Energy: 1.6140492516736555
Energy: 1.453314383133068
Energy: 1.5872318545685862
Energy: 1.6840734081650426
Energy: 1.5872318545701192

minimum gb energy = 1.4525479238105867 eV
minimum distance =  2.30232146566956 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.6452253218150137
Energy: 1.644396790323338
Energy: 1.8324601701497711
Energy: 1.6443967903197843
Energy: 1.705946593599029
Energy: 1.5960909731399995
Energy: 1.4925537259853445
Energy: 1.5960909731311144
Energy: 1.6736807319292697
Energy: 1.6384629164919147
Energy: 1.4922895535112455
Energy: 1.6384629164856954
Energy: 1.494640678595069
Energy: 1.6483104060031286
Energy: 1.6075551654266647
Energy: 1.6483104060022402
Energy: 1.7132916460519751
Energy: 1.6032388189056601
Energy: 1.4931657605282376
Energy: 1.6032388189047715
Energy: 1.5092934270825906
Energy: 1.5481703255143393
Energy: 1.6674159813723115
Energy: 1.5481703255116737
Energy: 1.4986475048776862
Energy: 1.6635799545467762
Energy: 1.4926135089852894
Energy: 1.6635799545441106
Energy: 1.6683208681740938
Energy: 1.6418011766868406
Energy: 1.505265026565382
Energy: 1.6418011766832863
Energy: 1.5116307332795285
Energy: 1.7227486677740909
Energy: 1.7105075525877216
Energy: 1.7227486677732025
Energy: 1.8152613828841109
Energy: 1.6006742212375922
Energy: 1.4930392976834244
Energy: 1.6006742212358152
Energy: 1.4988638834446673
Energy: 1.511639977998719
Energy: 1.6782561660650048
Energy: 1.5116399780244854
Energy: 1.5063479302908098
Energy: 1.6578692667429553
Energy: 1.505309435378581
Energy: 1.6578692667385129
Energy: 1.703780805982225
Energy: 1.508382041185718
Energy: 1.5062072703473006
Energy: 1.5083820412434292
Energy: 1.4924074064691502
Energy: 1.6690728852597272
Energy: 1.6874531518884346
Energy: 1.669072885249954
Energy: 1.6241975575620666
Energy: 1.656941023600429
Energy: 1.5096815442534122
Energy: 1.6569410235959865
Energy: 1.673198139284968
Energy: 1.6426303967394846
Energy: 1.6681760033253779
Energy: 1.642630396745704
Energy: 1.492832434766758
Energy: 1.6493196482281887
Energy: 1.8034909442237768
Energy: 1.649319648229077
Energy: 1.664549295649114
Energy: 1.637491259713663
Energy: 1.5088449204070011
Energy: 1.637491259714552
Energy: 1.5295361549995714
Energy: 1.6684098085303845
Energy: 1.5937175599890259
Energy: 1.6684098085330503
Energy: 1.4927971118578995
Energy: 1.647962431984127
Energy: 1.4954601155022533
Energy: 1.647962431978796
Energy: 1.5812911528636322
Energy: 1.6389249075846357
Energy: 1.6729392137252777
Energy: 1.6389249075873011
Energy: 1.4927078675298862
Energy: 1.747663390886627
Energy: 1.8164401853226644
Energy: 1.7476633908830732
Energy: 1.693470655099631
Energy: 1.6444122816228035
Energy: 1.492413063152881
Energy: 1.6444122816210265
Energy: 1.505131269432137
Energy: 1.6640186525841638
Energy: 1.6751741207543325
Energy: 1.6640186525832752
Energy: 1.5045782091133897
Energy: 1.639132847349479
Energy: 1.6949172436784832
Energy: 1.639132847347702
Energy: 1.7006257774140776
Energy: 1.64372156618585
Energy: 1.4941733740742928
Energy: 1.6437215661831845
Energy: 1.4928338539247765
Energy: 1.7143009188555958
Energy: 1.8519108848073664
Energy: 1.7143009188608866
Energy: 1.6671674789404354
Energy: 1.54690517329508
Energy: 1.6743681222646596
Energy: 1.5469051732870838
Energy: 1.801773311724746
Energy: 1.6959483254457444
Energy: 1.4992503836491617
Energy: 1.6959483254448557
Energy: 1.5053087690136646
Energy: 1.7182516552982992
Energy: 1.665929164535844
Energy: 1.7182516552974105

minimum gb energy = 1.4922895535112455 eV
minimum distance =  2.21252396202912 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.6194177240621157
Energy: 1.6165334057858733
Energy: 1.8115083898108035
Energy: 1.61653340579201
Energy: 1.7105514083692381
Energy: 1.6709785664937253
Energy: 1.5711027384833456
Energy: 1.6709785664998618
Energy: 1.4329742792470035
Energy: 1.4308609214800776
Energy: 1.5710162157672751
Energy: 1.4308609214759866
Energy: 1.4326084347827948
Energy: 1.431701520161843
Energy: 1.5956515987795865
Energy: 1.4317015201679795
Energy: 1.8670422605088373
Energy: 1.5993359339617952
Energy: 1.6000771298738325
Energy: 1.5993359339658861
Energy: 1.4321522834910452
Energy: 1.4312247148845028
Energy: 1.898382909018099
Energy: 1.4312247148783666
Energy: 1.599314228403761
Energy: 1.6709785664937253
Energy: 1.5711027384813
Energy: 1.6709785664978163
Energy: 1.4329742792490487
Energy: 1.4308609214780321
Energy: 1.6155308978708007
Energy: 1.4308609214759866
Energy: 1.4326084347807493
Energy: 1.4317015201597978
Energy: 1.4310927930590083
Energy: 1.4317015201638885
Energy: 1.8670422605088373
Energy: 1.5595680234377374
Energy: 1.7039357631011023
Energy: 1.559568023431601
Energy: 1.6194177240600702
Energy: 1.616533405787919
Energy: 1.8983829090569628
Energy: 1.6165334057899643
Energy: 1.7105514083712838
Energy: 1.6709785664937253
Energy: 1.571102738485391
Energy: 1.6709785664978163
Energy: 1.4329742792510944
Energy: 1.4308609214759866
Energy: 1.6155308978687555
Energy: 1.4308609214739414

minimum gb energy = 1.4308609214739414 eV
minimum distance =  2.28362844679161 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.5682772048834717
Energy: 1.7817140727742045
Energy: 1.9436749186230957
Energy: 1.7817140727636058
Energy: 1.7619531941104463
Energy: 1.6441349253516597
Energy: 1.572942494504954
Energy: 1.6441349253486315
Energy: 1.5513797177824689
Energy: 1.553872695177996
Energy: 1.5734646860459762
Energy: 1.5538726951749677
Energy: 1.7189574126006464
Energy: 1.8379960527438177
Energy: 1.5741380931690154
Energy: 1.8379960527423036
Energy: 1.7515624642951513
Energy: 1.6413308311658963
Energy: 1.5709487741373742
Energy: 1.6413308311628678
Energy: 1.5537775306551702
Energy: 1.5536047252032026
Energy: 1.7271788229582388
Energy: 1.5536047252001743
Energy: 1.989203954761121
Energy: 1.6360540090150144
Energy: 1.5717203105849862
Energy: 1.6360540090150144
Energy: 1.5587679561513752
Energy: 1.8294529676793718
Energy: 1.732608725449267
Energy: 1.8294529676740725
Energy: 1.554098957098715
Energy: 1.8524535625601444
Energy: 1.5673360571472814
Energy: 1.8524535625556022
Energy: 1.5530709921323902
Energy: 1.6362037718456999
Energy: 1.570281208396011
Energy: 1.6362037718426719
Energy: 1.5603442843357023
Energy: 1.6686977666093743
Energy: 1.9705444205690565
Energy: 1.6686977666108884
Energy: 1.7517765915348151
Energy: 1.7707192598742034
Energy: 1.5613797788693586
Energy: 1.7707192598734467
Energy: 1.554830019481124
Energy: 1.6694303237549175
Energy: 1.8579962402822048
Energy: 1.6694303237526462
Energy: 1.7244740690528666
Energy: 1.7352602152980854
Energy: 1.575917648748794
Energy: 1.7352602152980854
Energy: 1.563252869311956
Energy: 1.7476199860682817
Energy: 1.7290742303646227
Energy: 1.7476199860697958
Energy: 1.558620302102139
Energy: 1.8544641390994714
Energy: 1.7255718588889633
Energy: 1.8544641390987144
Energy: 1.6458677672872017
Energy: 1.747953472258823
Energy: 1.5636938616967704
Energy: 1.7479534722648793
Energy: 1.5645039344386646
Energy: 1.6361929341938286
Energy: 1.751825569336468
Energy: 1.6361929341908006
Energy: 1.7418360345272852
Energy: 1.669069118195727
Energy: 1.5566283503529705
Energy: 1.6690691181949697
Energy: 1.563425614341852
Energy: 1.6516461776155857
Energy: 1.6615449787539995
Energy: 1.6516461776155857
Energy: 1.723454994395771
Energy: 1.8428791738906456
Energy: 1.7217705725339763
Energy: 1.8428791738868604
Energy: 1.6722426348416648
Energy: 1.730580991470024
Energy: 1.5535011008659163
Energy: 1.730580991471538
Energy: 1.5675231972865336
Energy: 1.7517906913895653
Energy: 1.5540896018636496
Energy: 1.7517906913872943
Energy: 1.9936515509759498
Energy: 1.6684540883678718
Energy: 1.558580897268554
Energy: 1.6684540883724144
Energy: 1.5719811917045001
Energy: 1.783915939197734
Energy: 1.8893431000103145
Energy: 1.7839159391947057
Energy: 1.650167226820613
Energy: 1.553104830868002
Energy: 1.551669877077382
Energy: 1.5531048308710302
Energy: 1.7343446410463812
Energy: 1.753064681175728
Energy: 1.7174949953405494
Energy: 1.7530646811787562
Energy: 1.5875273002051966
Energy: 1.8384276754107616
Energy: 1.7184836227869011
Energy: 1.8384276754107616
Energy: 1.6477693725947475
Energy: 1.5528800216860201
Energy: 1.5510113716288663
Energy: 1.5528800216837488
Energy: 1.5725693389050484
Energy: 1.7825173475867226
Energy: 1.8905857188234676
Energy: 1.7825173475912648
Energy: 1.8873586259793644
Energy: 1.6682096103737698
Energy: 1.5576419245916353
Energy: 1.6682096103714985
Energy: 1.5730168600105592
Energy: 1.6395465100150048
Energy: 1.5522357607781923
Energy: 1.6395465100112196
Energy: 1.5746121122920285
Energy: 1.735364938917323
Energy: 1.5514870980647353
Energy: 1.7353649389158088
Energy: 1.7283666824408994
Energy: 1.8426712165554937
Energy: 1.719455174726919
Energy: 1.8426712165585217
Energy: 1.57028789957981
Energy: 1.7903233243288335
Energy: 1.988467494219551
Energy: 1.7903233243295908

minimum gb energy = 1.5510113716288663 eV
minimum distance =  2.22955690733934 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.670390178350178
Energy: 1.6670661322077316
Energy: 1.9243018203658506
Energy: 1.667066132211335
Energy: 1.6743377276684717
Energy: 1.6994810502532443
Energy: 1.5760347870081612
Energy: 1.6994810502460374
Energy: 1.5763785402268367
Energy: 1.57348987816351
Energy: 1.575450786017658
Energy: 1.5734898781563034
Energy: 1.5601144573332948
Energy: 1.7894846269006028
Energy: 1.5898869483811306
Energy: 1.7894846268982005
Energy: 1.6454722368786137
Energy: 1.6979934258811311
Energy: 1.5933659366149853
Energy: 1.6979934258835332
Energy: 1.586716131220339
Energy: 1.5801555041208275
Energy: 1.8359423850326113
Energy: 1.5801555041220283
Energy: 1.9659195384650947
Energy: 1.7808444361065605
Energy: 1.5777224139348114
Energy: 1.7808444361041584
Energy: 1.5635355493397443
Energy: 1.560475022583691
Energy: 1.8424406582310777
Energy: 1.560475022576484
Energy: 1.9158914477400948
Energy: 1.5632805275265942
Energy: 1.5696569048939186
Energy: 1.5632805275265942
Energy: 1.5766542984056688
Energy: 1.6905819036829903
Energy: 1.5770031858602416
Energy: 1.6905819036853924
Energy: 1.5682364517356142
Energy: 1.5626450780526786
Energy: 1.8352207440589976
Energy: 1.5626450780538799
Energy: 1.7465618588814182
Energy: 1.5786319069041885
Energy: 1.5602723567041004
Energy: 1.5786319069005854
Energy: 1.5879558092372241
Energy: 1.675975424356621
Energy: 1.8468559099490305
Energy: 1.6759754243614255
Energy: 1.886675169245396
Energy: 1.7702946637267152
Energy: 1.5868840977025533
Energy: 1.7702946637303185
Energy: 1.5643155989968947
Energy: 1.8066349623573874
Energy: 1.8288562339705678
Energy: 1.8066349623597895
Energy: 1.8320980307411918
Energy: 1.5610321123265642
Energy: 1.5642185351503717
Energy: 1.5610321123277657
Energy: 1.6701403801446342
Energy: 1.6676358448169084
Energy: 1.5763098610212039
Energy: 1.6676358448133053
Energy: 1.670551574236706
Energy: 1.5798768923693787
Energy: 1.5765103147284318
Energy: 1.5798768923765854
Energy: 1.5686364446500838
Energy: 1.5608702483239567
Energy: 1.5632098623708106
Energy: 1.5608702483191523
Energy: 1.5767678618740497
Energy: 1.7025084541482776
Energy: 1.8781257788021326
Energy: 1.7025084541494784
Energy: 1.8617066783345713
Energy: 1.5747102320743567
Energy: 1.588125600895861
Energy: 1.5747102320791613
Energy: 1.5899306696358955
Energy: 1.6971536058519305
Energy: 1.6905512700875203
Energy: 1.6971536058543328

minimum gb energy = 1.5601144573332948 eV
minimum distance =  2.24394890521049 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.5999791587386756
Energy: 1.599062176427177
Energy: 1.9828384304583053
Energy: 1.599062176444125
Energy: 1.937679566883918
Energy: 1.6736270215570046
Energy: 1.580016399694946
Energy: 1.6736270215485503
Energy: 1.5713319120810083
Energy: 1.5984947187607563
Energy: 1.6038470127701667
Energy: 1.598494718741222
Energy: 1.615845835237322
Energy: 1.6981143691126297
Energy: 1.5796236539731265
Energy: 1.6981143691287672
Energy: 1.5714819889143985
Energy: 1.673226249246365
Energy: 1.6039235861125136
Energy: 1.6732262492531595
Energy: 1.5685753658625852
Energy: 1.600327772359684
Energy: 1.882262999855348
Energy: 1.6003277723511908
Energy: 1.749487309006458
Energy: 1.7430505302098613
Energy: 1.610957646592886
Energy: 1.7430505301852695
Energy: 1.5683288869368635
Energy: 1.599986032629751
Energy: 1.9205834103300943
Energy: 1.5999860326280522
Energy: 1.7694194460894133
Energy: 1.6829021013842733
Energy: 1.5801654066546673
Energy: 1.6829021013944652
Energy: 1.5694132414551865
Energy: 1.7095741803025033
Energy: 1.7287171418742908
Energy: 1.709574180322038
Energy: 1.6109415770813775
Energy: 1.8161532764742985
Energy: 1.6126128847186325
Energy: 1.816153276483641
Energy: 1.6215503398857927
Energy: 1.6739426137176465
Energy: 1.6174886498546146
Energy: 1.6739426137100026
Energy: 1.610933807473419
Energy: 1.6031979741481617
Energy: 1.617368356879472
Energy: 1.6031979741328737
Energy: 1.6027498897383712
Energy: 1.5919508974787184
Energy: 1.616873437971028
Energy: 1.5919508975033103
Energy: 1.5686751356758382
Energy: 1.8284618689449983
Energy: 1.7650906530934103
Energy: 1.8284618689543408
Energy: 2.007655694647874
Energy: 1.591152093024731
Energy: 1.5836092613909631
Energy: 1.5911520930179364
Energy: 1.5683995298635163
Energy: 1.6748994168023164
Energy: 1.653377758212124
Energy: 1.6748994168260976
Energy: 1.5936674450905717
Energy: 1.8160821906949627
Energy: 1.6170740899330667
Energy: 1.81608219069836
Energy: 1.568543911638792
Energy: 1.6012563607576777
Energy: 1.6157543806920576
Energy: 1.6012563607542802
Energy: 1.56928451519643
Energy: 1.6759951848355916
Energy: 1.6169371498816156
Energy: 1.6759951848211532
Energy: 1.611552527286424
Energy: 1.8201896463331015
Energy: 1.5799803052976713
Energy: 1.8201896463271563
Energy: 1.5687827345886887
Energy: 1.5981397906913084
Energy: 1.7333364482422684
Energy: 1.5981397906777193
Energy: 1.8988123306639162
Energy: 1.68285721593642
Energy: 1.595087558603993
Energy: 1.6828572159432147
Energy: 1.6027678386319046
Energy: 1.5996891864152336
Energy: 1.8816069471650803
Energy: 1.5996891864152336
Energy: 1.615476633190064
Energy: 1.676883700417461
Energy: 1.594416263987683
Energy: 1.6768837004200092
Energy: 1.6141341430422695
Energy: 1.5992078780757102
Energy: 1.6056114976542146
Energy: 1.5992078780706143
Energy: 1.5716475209028562
Energy: 1.7025472451128325
Energy: 1.5941769614550376
Energy: 1.7025472450966952
Energy: 1.6150784791128763
Energy: 1.6739962058083557
Energy: 1.5795539341197498
Energy: 1.6739962057973146
Energy: 1.5706467455966682
Energy: 1.5992381643823228
Energy: 1.7294965819872785
Energy: 1.599238164372131
Energy: 1.6019868130740498
Energy: 1.603292468643097
Energy: 1.5801368614540325
Energy: 1.6032924686422478
Energy: 1.5707095501183825
Energy: 1.5992126688010997
Energy: 1.844365980309889
Energy: 1.5992126688070452

minimum gb energy = 1.5683288869368635 eV
minimum distance =  2.22647868728735 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.5430498169302358
Energy: 1.5276458172848426
Energy: 1.6123526753564603
Energy: 1.5276458172871434
Energy: 1.4946760377938986
Energy: 1.5458365276695851
Energy: 1.5424636240477043
Energy: 1.545836527666988
Energy: 1.5545935642343751
Energy: 1.6184089408660007
Energy: 1.4958860674856387
Energy: 1.6184089408691895
Energy: 1.5440230310778649
Energy: 1.4965847874769986
Energy: 1.5452830211106148
Energy: 1.496584787480483
Energy: 1.5432870095434092
Energy: 1.5912442997415568
Energy: 1.5585644174325133
Energy: 1.5912442997444494
Energy: 1.5345355642775016
Energy: 1.62001864346884
Energy: 1.5343810159050113
Energy: 1.6200186434673935
Energy: 1.528469923141105
Energy: 1.5912638901843832
Energy: 1.5432170060752877
Energy: 1.5912638901855667
Energy: 1.5415282370004304
Energy: 1.4955510118445738
Energy: 1.5431561425936466
Energy: 1.495551011846908
Energy: 1.4960884063004094
Energy: 1.6183108479983932
Energy: 1.4943673668953301
Energy: 1.6183108479998394

minimum gb energy = 1.4943673668953301 eV
minimum distance =  2.27532468123982 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.5066408567937453
Energy: 1.498673843907797
Energy: 1.7451643616360324
Energy: 1.4986738439142153
Energy: 1.697406200804353
Energy: 1.578959749473935
Energy: 1.4365673502668503
Energy: 1.57895974948276
Energy: 1.447289013528471
Energy: 1.494344116736467
Energy: 1.730676202593414
Energy: 1.4943441167348626
Energy: 1.4536090660158392
Energy: 1.56808240319757
Energy: 1.4746432353813073
Energy: 1.5680824031895468
Energy: 1.4576074383640485
Energy: 1.5779685833060295
Energy: 1.7319975619459058
Energy: 1.5779685833036228
Energy: 1.484104055640231
Energy: 1.5077108086742814
Energy: 1.456983125671792
Energy: 1.507710808672677
Energy: 1.4640651227992465
Energy: 1.5859719029380643
Energy: 1.455294164087861
Energy: 1.5859719029252277
Energy: 1.4639403668916025
Energy: 1.5094573367841224
Energy: 1.4562653350625472
Energy: 1.509457336773693
Energy: 1.4707326403632994
Energy: 1.6977638800606756
Energy: 1.4826104848643198
Energy: 1.6977638800727102
Energy: 1.4817889959692812
Energy: 1.5703302564539197
Energy: 1.4558631105087783
Energy: 1.5703302564290484
Energy: 1.4427540005898771
Energy: 1.5095843754357572
Energy: 1.4547114104616168
Energy: 1.5095843754253273
Energy: 1.4554040659603542
Energy: 1.5144482947554236
Energy: 1.652547435796409
Energy: 1.5144482947674578
Energy: 1.4978836638440087
Energy: 1.5058633381420794
Energy: 1.5069882380976354
Energy: 1.5058633381452886
Energy: 1.458238113180465
Energy: 1.5059524665615862
Energy: 1.5132373569080793
Energy: 1.505952466550354
Energy: 1.8445779848479582
Energy: 1.5712365353976727
Energy: 1.4544696390659346
Energy: 1.5712365354000795
Energy: 1.4770756213911849
Energy: 1.4845305259984851
Energy: 1.7025970218912632
Energy: 1.4845305260153332
Energy: 1.7420585906527721
Energy: 1.5787168161040692
Energy: 1.4368169460703115
Energy: 1.5787168160904301
Energy: 1.4653307919025624
Energy: 1.5060233496130442
Energy: 1.580358801733776
Energy: 1.5060233495937891
Energy: 1.4771094946511032
Energy: 1.5872660000070098
Energy: 1.4600925069227868
Energy: 1.5872660000110212
Energy: 1.4473290535410852
Energy: 1.5618811150411867
Energy: 1.4891355751707036
Energy: 1.5618811150427911
Energy: 1.43686055353572
Energy: 1.5074585624788106
Energy: 1.477524830763769
Energy: 1.5074585624699857
Energy: 1.4748142259652517
Energy: 1.5735734266289523
Energy: 1.4703542364340405
Energy: 1.5735734266305568
Energy: 1.4412260467783458
Energy: 1.5080464856611777
Energy: 1.4378790693182746
Energy: 1.508046485653957
Energy: 1.6343089697879758
Energy: 1.5086481768245505
Energy: 1.4473129433994043
Energy: 1.5086481768316982
Energy: 1.64154358708297
Energy: 1.4873699026884006
Energy: 1.4599674082432643
Energy: 1.4873699026884006
Energy: 1.4817661858631022
Energy: 1.5060384947459393
Energy: 1.46240725719536
Energy: 1.5060384947563692
Energy: 1.4436393031163668
Energy: 1.5585320550707662
Energy: 1.605156910374202
Energy: 1.5585320550659525
Energy: 1.497719411500794
Energy: 1.5411429572806543
Energy: 1.475216072354638
Energy: 1.5411429572750384
Energy: 1.4546713923892671
Energy: 1.5816512394192106
Energy: 1.6252929359006183
Energy: 1.581651239423222
Energy: 1.7303158741656584
Energy: 1.5049077924855117
Energy: 1.4703478355247048
Energy: 1.5049077924622454
Energy: 1.4484545489991545
Energy: 1.4897856146514576
Energy: 1.5916365432725725
Energy: 1.4897856146618875
Energy: 1.7354140592169152
Energy: 1.536164527130393
Energy: 1.4537758703103394
Energy: 1.5361645271239748
Energy: 1.4808489193511658
Energy: 1.5096171537040035
Energy: 1.4397138970484529
Energy: 1.5096171537128287

minimum gb energy = 1.4365673502668503 eV
minimum distance =  2.22673060085071 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.4410727128555114
Energy: 1.4396467310131769
Energy: 1.449920766776844
Energy: 1.439646731009849
Energy: 1.4729009551043672
Energy: 1.4624928106635273
Energy: 1.388154298249704
Energy: 1.4624928106635273
Energy: 1.3655883175023287
Energy: 1.439617664336781
Energy: 1.8983433124642013
Energy: 1.4396176643456555
Energy: 1.39960624416733
Energy: 1.528444118223083
Energy: 1.381077491415186
Energy: 1.5284441182164272
Energy: 1.3680483373675358
Energy: 1.5753016936213278
Energy: 1.6808928765003213
Energy: 1.575301693615781
Energy: 1.3650840473765045
Energy: 1.445962189809847
Energy: 1.3800800285481354
Energy: 1.445962189817612
Energy: 1.3669000281461565
Energy: 1.5748986973843049
Energy: 1.3991549843754234
Energy: 1.574898697383196
Energy: 1.367669923623617
Energy: 1.4455836251770464
Energy: 1.4589940660177145
Energy: 1.4455836251770464
Energy: 1.4392544201048998
Energy: 1.4354963702772154
Energy: 1.4424383950065878
Energy: 1.435496370274997
Energy: 1.439284858377376
Energy: 1.4357008402817768
Energy: 1.4591572710391845
Energy: 1.4357008402762301
Energy: 1.3677283156503164
Energy: 1.4454637156598213
Energy: 1.410444368940134
Energy: 1.4454637156631494
Energy: 1.3668702491346194
Energy: 1.5751226950836923
Energy: 1.426157367863061
Energy: 1.5751226950737085
Energy: 1.3652655540211232
Energy: 1.4457164121562107
Energy: 1.3805481987622832
Energy: 1.4457164121628665
Energy: 1.3674413042852875
Energy: 1.5747445629139385
Energy: 1.6569906902236626
Energy: 1.5747445629106107
Energy: 1.3996763692469936
Energy: 1.5284386800608818
Energy: 1.3806036731092264
Energy: 1.5284386800553857
Energy: 1.3667933875889449
Energy: 1.4394893365727635
Energy: 1.4981425980239997
Energy: 1.4394893365849657
Energy: 1.474525494057211
Energy: 1.4625815490424456
Energy: 1.3879981332184004
Energy: 1.4625815490446639
Energy: 1.4410727128544023
Energy: 1.4396467310131769
Energy: 1.4503515331716206
Energy: 1.439646731009849
Energy: 1.4729009551065861
Energy: 1.4624928106613089
Energy: 1.3881542982485946
Energy: 1.4624928106624182
Energy: 1.3655883175023287
Energy: 1.4396176643345624
Energy: 1.8983433124619826
Energy: 1.4396176643445462
Energy: 1.3996062441551278
Energy: 1.528444118221974
Energy: 1.3810774914174044
Energy: 1.5284441182164272
Energy: 1.368048337364208
Energy: 1.5753016936202182
Energy: 1.6808928765025395
Energy: 1.5753016936168902
Energy: 1.3650840473831602
Energy: 1.4459621898109563
Energy: 1.3800800285492443
Energy: 1.445962189817612
Energy: 1.3669000281461565
Energy: 1.574898697383196
Energy: 1.3991549688221667
Energy: 1.574898697383196

minimum gb energy = 1.3650840473765045 eV
minimum distance =  2.2444671685927 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.421056939044427
Energy: 1.420955009817971
Energy: 1.7008315878594458
Energy: 1.4209550098255133
Energy: 1.620832253299386
Energy: 1.4024893381225727
Energy: 1.373267495418155
Energy: 1.402489338121887
Energy: 1.3727361637075761
Energy: 1.4036703582908339
Energy: 1.7046616689638117
Energy: 1.4036703582928907
Energy: 1.4204347275696265
Energy: 1.369088296629903
Energy: 1.370998814090996
Energy: 1.369088296623732
Energy: 1.363453200272771
Energy: 1.510284824736915
Energy: 1.3908241218948392
Energy: 1.5102848247355436
Energy: 1.3597244132541175
Energy: 1.3822674133923298
Energy: 1.3904283699410371
Energy: 1.3822674133869068
Energy: 1.3811289359109151
Energy: 1.4874054914536734
Energy: 1.4091048177106869
Energy: 1.4874054914577874
Energy: 1.3591046477611848
Energy: 1.6676016868438943
Energy: 1.3687029409034608
Energy: 1.667601686853493
Energy: 1.4168619360616337
Energy: 1.6667899169684595
Energy: 1.4026522312112404
Energy: 1.6667899169739444
Energy: 1.4206634427819105
Energy: 1.4690034705236292
Energy: 1.376111622315433
Energy: 1.4690034705208868
Energy: 1.3717693725504203
Energy: 1.4412362345961045
Energy: 1.3664691355433776
Energy: 1.4412362346015897
Energy: 1.3757100176865262
Energy: 1.4787233628683503
Energy: 1.38086847821846
Energy: 1.4787233628697216
Energy: 1.3569700780163978
Energy: 1.457813814483793
Energy: 1.379967672037831
Energy: 1.4578138144741943
Energy: 1.375109634637751
Energy: 1.5082285347980329
Energy: 1.4195752291630341
Energy: 1.508228534801461
Energy: 1.35673796997058
Energy: 1.3730701835765913
Energy: 1.4314997751096779
Energy: 1.373070183582762
Energy: 1.3728931960065707
Energy: 1.4051556578910425
Energy: 1.3912619031981694
Energy: 1.4051556578855573
Energy: 1.3909684364732946
Energy: 1.3740800493723784
Energy: 1.379699438165566
Energy: 1.3740800493723784
Energy: 1.3659626683866726
Energy: 1.4207655375499062
Energy: 1.3843249727288507
Energy: 1.420765537548535
Energy: 1.614663559389294
Energy: 1.4814776383978634
Energy: 1.372757570898439
Energy: 1.4814776384033486
Energy: 1.3849203968128825
Energy: 1.4041817035941428
Energy: 1.4386784012590186
Energy: 1.4041817035893434
Energy: 1.3891727235296523
Energy: 1.3916560117873777
Energy: 1.3676643228437693
Energy: 1.3916560117805215
Energy: 1.3670383581700718
Energy: 1.4210221612840401
Energy: 1.6350664116361666
Energy: 1.4210221612758123
Energy: 1.4073335078269966
Energy: 1.3797566973420172
Energy: 1.3869357954472181
Energy: 1.3797566973488735
Energy: 1.3727485897361529
Energy: 1.4900239830274449
Energy: 1.6269212732472915
Energy: 1.490023983030873
Energy: 1.399388356663014
Energy: 1.4213786961859949
Energy: 1.3679524463092045
Energy: 1.4213786961914798
Energy: 1.3647677438504349
Energy: 1.5120909695800815
Energy: 1.389857213236502
Energy: 1.5120909695793958
Energy: 1.5971561216424757
Energy: 1.461797627230635
Energy: 1.3749587677841546
Energy: 1.4617976272320061
Energy: 1.4370067550582155
Energy: 1.6420331429782817
Energy: 1.371762375698002
Energy: 1.642033142974168
Energy: 1.4411731563192267
Energy: 1.507666159195756
Energy: 1.3645810957219882
Energy: 1.5076661591998697
Energy: 1.3650210610949671
Energy: 1.462770714585976
Energy: 1.4289423159355137
Energy: 1.462770714593518
Energy: 1.367074714997383
Energy: 1.5081264079560304
Energy: 1.3751335472052273
Energy: 1.5081264079539733
Energy: 1.355117643552272
Energy: 1.4398005673066856
Energy: 1.3684395007627497
Energy: 1.4398005672874876
Energy: 1.375112958962063
Energy: 1.4743340095747306
Energy: 1.6280647202617242
Energy: 1.4743340095726738
Energy: 1.4128604318708124
Energy: 1.6616480591169458
Energy: 1.3871872171211181
Energy: 1.661648059112146
Energy: 1.3714057884626698
Energy: 1.421912143295626
Energy: 1.4108704515661274
Energy: 1.4219121432880841
Energy: 1.4089004959280935
Energy: 1.4896693285509763
Energy: 1.3794664520406505
Energy: 1.4896693285550902
Energy: 1.3869655544846657
Energy: 1.8963322175176611
Energy: 1.3626301893044124
Energy: 1.89633221752726
Energy: 1.3912925672281236
Energy: 1.5120257152232133
Energy: 1.3673144728671471
Energy: 1.5120257152225276

minimum gb energy = 1.355117643552272 eV
minimum distance =  2.23285505072846 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.2591151434721282
Energy: 1.258578548514574
Energy: 1.5942997506745755
Energy: 1.2585785485127796
Energy: 1.272191444393376
Energy: 1.2998185940036557
Energy: 1.274790591001861
Energy: 1.2998185940000675
Energy: 1.2727550717345033
Energy: 1.486808602277982
Energy: 2.0952424180570866
Energy: 1.486808602277982
Energy: 1.2511763999454248
Energy: 1.2995092755796767
Energy: 1.2748011668633297
Energy: 1.2995092755796767
Energy: 1.2730394095209148
Energy: 1.389701727432715
Energy: 1.279482272202046
Energy: 1.3897017274309211
Energy: 1.271934714072973
Energy: 1.2604623103773496
Energy: 1.2654332153060928
Energy: 1.2604623103791437
Energy: 1.2729421228491349
Energy: 1.4865868686252781
Energy: 1.2586966886511528
Energy: 1.4865868686252781
Energy: 1.2677040608964765
Energy: 1.486251332038766
Energy: 1.274854717785324
Energy: 1.4862513320423538
Energy: 1.2721125085125424
Energy: 1.3901292878674667
Energy: 1.2534916129632319
Energy: 1.3901292878692608
Energy: 1.300102793203984
Energy: 1.6046608860113278
Energy: 1.260956471157146
Energy: 1.604660886013122
Energy: 1.2584539148741682
Energy: 1.3008547305432832
Energy: 1.272211471880992
Energy: 1.3008547305414893
Energy: 1.258274612544432
Energy: 1.4883202460492282
Energy: 1.2747441280306553
Energy: 1.4883202460492282
Energy: 1.2720300187696194
Energy: 1.2634863507997511
Energy: 1.2647362377515596
Energy: 1.2634863507979568
Energy: 1.2615743670103825
Energy: 1.3866857227939315
Energy: 1.2615617536945545
Energy: 1.3866857227921376
Energy: 1.2536119417785447
Energy: 1.2635220809648506
Energy: 1.2719110571478154
Energy: 1.2635220809648506

minimum gb energy = 1.2511763999454248 eV
minimum distance =  2.26083442879406 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.2402936381023253
Energy: 1.1960182468957459
Energy: 1.528877241680665
Energy: 1.1960182468830316
Energy: 1.456889338398557
Energy: 1.225206005664808
Energy: 1.1885607021292468
Energy: 1.225206005654281
Energy: 1.1982556382082792
Energy: 1.1970100107111754
Energy: 1.4310574478986064
Energy: 1.1970100107352368
Energy: 1.1974652797210434
Energy: 1.2258925736865283
Energy: 1.1821094734974629
Energy: 1.225892574422387
Energy: 1.2110825161340153
Energy: 1.2932070201013515
Energy: 1.2534535313057822
Energy: 1.2932070201088708
Energy: 1.1803635841853144
Energy: 1.2262738698283386
Energy: 1.212488553446775
Energy: 1.2262738698418731
Energy: 1.2108210927045038
Energy: 1.2955981612833103
Energy: 1.4090482389428818
Energy: 1.295598161256241
Energy: 1.1845988348288512
Energy: 1.2252710412705494
Energy: 1.2126924736724705
Energy: 1.2252710412743089
Energy: 1.2110766614947652
Energy: 1.295642867011442
Energy: 1.5302399557878494
Energy: 1.2956428670076823
Energy: 1.431300423115108
Energy: 1.3186214961555882
Energy: 1.1824288615616738
Energy: 1.318621496157844
Energy: 1.2110454938590272
Energy: 1.31982378633497
Energy: 1.205753926403301
Energy: 1.319823786335722
Energy: 1.6126712047716072
Energy: 1.3185263037932384
Energy: 1.1807970308593225
Energy: 1.318526303784967
Energy: 1.2520858581382273
Energy: 1.2172474744236468
Energy: 1.2000856087902154
Energy: 1.2172474744364297
Energy: 1.6690431735757791
Energy: 1.3193472267741484
Energy: 1.1810625381561703
Energy: 1.319347226773397
Energy: 1.2053150119473874
Energy: 1.196688492304694
Energy: 1.1933502836193188
Energy: 1.196688492279129
Energy: 1.1922880237744862
Energy: 1.3195035624427733
Energy: 1.18533155384159
Energy: 1.3195035624600673
Energy: 1.2047186001713286
Energy: 1.2863037588525932
Energy: 1.1870160899418494
Energy: 1.2863037588676316
Energy: 1.2051724019644328
Energy: 1.291663149992331
Energy: 1.2244619771682839
Energy: 1.29166315000361
Energy: 1.2055472301519667
Energy: 1.2179228927742676
Energy: 1.2243488158159301
Energy: 1.217922892780283
Energy: 1.2055449592355596
Energy: 1.2177715432542893
Energy: 1.2245615107607533
Energy: 1.2177715432497778
Energy: 1.2051031212869296
Energy: 1.2917780424236436
Energy: 1.2244628935989952
Energy: 1.2917780424168763
Energy: 1.2054076874372774
Energy: 1.28594697998484
Energy: 1.18753971525028
Energy: 1.285946979985592
Energy: 1.21356079964978
Energy: 1.3196836244504453
Energy: 1.1869313326733713
Energy: 1.3196836244594685
Energy: 1.2049373466838627
Energy: 1.1967606238333368
Energy: 1.1877758584371771
Energy: 1.1967606238250657
Energy: 1.6694041849473218
Energy: 1.3191866204902087
Energy: 1.1809740037630412
Energy: 1.3191866205097587
Energy: 1.253501658689466
Energy: 1.2172160985536122
Energy: 1.1881412741699662
Energy: 1.2172160985521085
Energy: 1.6126557317701729
Energy: 1.3186311036904326
Energy: 1.181001385655731
Energy: 1.3186311036731384
Energy: 1.211192396230576
Energy: 1.3197510177479181
Energy: 1.2163326475191383
Energy: 1.3197510177464145
Energy: 1.4328848949555524
Energy: 1.3187933316843816
Energy: 1.1824214671821347
Energy: 1.3187933316979163
Energy: 1.2111666134251493
Energy: 1.2955525821597174
Energy: 1.6318996688983527
Energy: 1.2955525821717482
Energy: 1.1858760914189619
Energy: 1.2252876900389327
Energy: 1.2124639099991241
Energy: 1.2252876900434442
Energy: 1.2108282462998485
Energy: 1.2955119517631686
Energy: 1.4096766160280747
Energy: 1.295511951759409
Energy: 1.1802302200955752
Energy: 1.2263791253775511
Energy: 1.2125344693068254
Energy: 1.226379125370032
Energy: 1.2047238927525947
Energy: 1.2933601913921708
Energy: 1.2579760432469829
Energy: 1.2933601913981865
Energy: 1.1977401427262198
Energy: 1.2259562472522836
Energy: 1.1821276415997832
Energy: 1.2259562472425085

minimum gb energy = 1.1802302200955752 eV
minimum distance =  2.27147789488303 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.1363642967846426
Energy: 1.1350877956513046
Energy: 1.1068221080477485
Energy: 1.1350877956525982
Energy: 1.1495954822322507
Energy: 1.135022947590856
Energy: 1.0833051276188188
Energy: 1.1350229475856812
Energy: 1.0955733054025834
Energy: 1.2908013338020765
Energy: 1.8627330305275194
Energy: 1.2908013338033701
Energy: 1.075071550189192
Energy: 1.1350756352816005
Energy: 1.0832278315141526
Energy: 1.1350756352867748
Energy: 1.0819750199800138
Energy: 1.1346768686674198
Energy: 1.0751164643340212
Energy: 1.1346768686648618
Energy: 1.0691564570782743
Energy: 1.1348982113242478
Energy: 1.0781195259923164
Energy: 1.1348982113242478
Energy: 1.1162376182463836
Energy: 1.1886530808511644
Energy: 1.4612480527407912
Energy: 1.1886530808524582
Energy: 1.075351060910759
Energy: 1.1362831322125468
Energy: 1.1391207348222818
Energy: 1.1362831322125468
Energy: 1.0821416774567445
Energy: 1.1349501713539245
Energy: 1.460886835369144
Energy: 1.1349501713552181
Energy: 1.5176420567669247
Energy: 1.2745532592638764
Energy: 1.078056136719473
Energy: 1.2745532592638764
Energy: 1.1163443212051718
Energy: 1.1879549701369285
Energy: 1.0819212045681081
Energy: 1.1879549701343413
Energy: 1.5144517388257872
Energy: 1.135208794199159
Energy: 1.0831958589802444
Energy: 1.1352087941978655
Energy: 1.074300399173912
Energy: 1.1350210882672975
Energy: 1.0804618294785275
Energy: 1.1350210882685914
Energy: 1.4644493072718308
Energy: 1.3230117349973851
Energy: 1.0820349727846559
Energy: 1.3230117349986787
Energy: 1.1343938269313825
Energy: 1.1889853069108474
Energy: 1.0813193350428858
Energy: 1.18898530690826
Energy: 1.1349034716441926
Energy: 1.1354331637263217
Energy: 1.08338489714448
Energy: 1.1354331637263217
Energy: 1.07425575058925
Energy: 1.276534645817605
Energy: 1.0806465746165097
Energy: 1.276534645817605
Energy: 1.074930590454624
Energy: 1.3229906336461852
Energy: 1.0821018920219911
Energy: 1.322990633650066
Energy: 1.0833530983658455
Energy: 1.137549638101902
Energy: 1.0792659594377039
Energy: 1.1375496381031955
Energy: 1.0750522728810785
Energy: 1.135666885641849
Energy: 1.0743309272113517
Energy: 1.135666885641849

minimum gb energy = 1.0691564570782743 eV
minimum distance =  2.2787224845333 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.0402130507483822
Energy: 0.9824218054017452
Energy: 1.1356347534742715
Energy: 0.9824218054078063
Energy: 1.3089598132780034
Energy: 1.006662810736685
Energy: 0.9838332393132176
Energy: 1.0066628107336544
Energy: 0.9790328659580425
Energy: 0.9786669005222454
Energy: 1.3240425468867532
Energy: 0.9786669005252759
Energy: 0.9836921046964933
Energy: 1.0069753990184132
Energy: 0.9865992394894267
Energy: 1.0069753990214436
Energy: 0.9857352685117746
Energy: 1.0065277789230507
Energy: 0.9779972602350551
Energy: 1.0065277789230507
Energy: 0.9490119950815079
Energy: 1.0067753644554611
Energy: 0.9842001937980424
Energy: 1.0067753644483897
Energy: 0.9866556745003618
Energy: 0.9785803894312257
Energy: 0.9857044329131791
Energy: 0.9785803894332461
Energy: 0.9456377979906027
Energy: 1.0393139168889436
Energy: 0.9808457893402954
Energy: 1.0393139168970251
Energy: 0.9860700300214199
Energy: 1.0071209332107725
Energy: 1.3071527204069897
Energy: 1.0071209332117825
Energy: 0.9490463523766849
Energy: 0.9820395122922099
Energy: 1.041949424884066
Energy: 0.9820395122952403
Energy: 0.9869937892282448
Energy: 0.9787409340253576
Energy: 1.565836787619582
Energy: 0.978740934027378
Energy: 1.2970700633286865
Energy: 1.1593738038370813
Energy: 0.9807908127025764
Energy: 1.1593738038340509
Energy: 0.9859938990321776
Energy: 1.007078790232193
Energy: 1.2595548064134572
Energy: 1.007078790234213
Energy: 1.3074170338693638
Energy: 1.0949765700798182
Energy: 0.9865984733437497
Energy: 1.0949765700757774
Energy: 0.9868684335385768
Energy: 0.9789207971567107
Energy: 0.9495969735373276
Energy: 0.9789207971557006
Energy: 1.3035546707766477
Energy: 1.416730758083393
Energy: 0.9850213039607951
Energy: 1.416730758083393
Energy: 0.9859057094170905
Energy: 1.0388576555006321
Energy: 0.9455738586011789
Energy: 1.0388576554996218
Energy: 1.299578974029983
Energy: 1.0060191385343655
Energy: 0.9870477535326158
Energy: 1.0060191385303248
Energy: 1.0467776617131588
Energy: 0.979029810530557
Energy: 0.950237657901273
Energy: 0.9790298105275265
Energy: 1.5614745144375732
Energy: 1.4148579626756885
Energy: 0.9914664984513698
Energy: 1.4148579626797295
Energy: 0.9860690228699978
Energy: 1.1528701411962563
Energy: 0.9488140171900977
Energy: 1.1528701412053481
Energy: 0.9784256321966573
Energy: 1.0071085408670468
Energy: 0.9838985960819633
Energy: 1.0071085408660367
Energy: 0.9869143207129261
Energy: 1.0909368043206467
Energy: 1.3174348295014968
Energy: 1.0909368043155958
Energy: 0.9552525105972101
Energy: 1.1549810646466612
Energy: 0.9846805285370933
Energy: 1.154981064645651
Energy: 0.9843913699393183
Energy: 1.1524532586391165
Energy: 1.3032023418542582
Energy: 1.1524532586381064
Energy: 0.9483938918581025
Energy: 1.0390863942575637
Energy: 0.9876424764235132
Energy: 1.0390863942565536

minimum gb energy = 0.9455738586011789 eV
minimum distance =  2.28060800012692 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.3687558968653584
Energy: 0.9086421622790847
Energy: 1.2728038738417495
Energy: 0.908642162275772
Energy: 1.3931829963289761
Energy: 0.8881347089703228
Energy: 0.8766827919712743
Energy: 0.8881347089678381
Energy: 0.9072045302714086
Energy: 0.8735048857776294
Energy: 1.1470567054105951
Energy: 0.8735048857809422
Energy: 1.1391520512102016
Energy: 0.8893174513827611
Energy: 0.876924479949998
Energy: 0.8893174513819329
Energy: 0.8715360852156325
Energy: 1.1578374834041745
Energy: 0.8825182320068415
Energy: 1.1578374834050027
Energy: 0.8873561301105877
Energy: 0.8898429419117649
Energy: 0.8768069907916742
Energy: 0.8898429419142496
Energy: 0.8760057371820476
Energy: 1.1226150536157422
Energy: 0.887899392127599
Energy: 1.122615053614914
Energy: 0.8551458916655066
Energy: 0.9074799805222998
Energy: 0.8726526230298195
Energy: 0.9074799805181589
Energy: 0.8799132308168068
Energy: 0.9089368720416812
Energy: 1.263965283777335
Energy: 0.9089368720367874
Energy: 0.8533827458704972
Energy: 0.8741788445007422
Energy: 0.9081501496882556
Energy: 0.874178844504883
Energy: 0.8758944878535351
Energy: 0.8886047800642802
Energy: 1.577560885844215
Energy: 0.8886047800626238
Energy: 0.8550881364637924
Energy: 0.9094944831889642
Energy: 1.3692533910378752
Energy: 0.9094944831906205
Energy: 0.8801287347444486
Energy: 1.2481190438375305
Energy: 1.5744379191699025
Energy: 1.2481190438383585
Energy: 1.1399295673624816
Energy: 1.0125561097734124
Energy: 0.9081456407056472
Energy: 1.0125561097825224
Energy: 0.8759569507595798
Energy: 0.8884573701906899
Energy: 1.3769292237845892
Energy: 0.8884573701948308
Energy: 1.152881831360878
Energy: 0.9103052037137034
Energy: 0.8727414364721231
Energy: 0.9103052037103907
Energy: 0.8797172977463552
Energy: 1.2462766128781584
Energy: 1.2510934587412015
Energy: 1.2462766128814713
Energy: 1.1525719914095174
Energy: 1.0016963142835769
Energy: 0.876855243736513
Energy: 1.0016963142736386
Energy: 0.875767468936788
Energy: 0.9080635538698757
Energy: 0.8552015339000582
Energy: 0.9080635538731884
Energy: 1.1655723834186442
Energy: 0.9094191275738834
Energy: 0.8793508158240639
Energy: 0.9094191275747117
Energy: 0.9113409233409799
Energy: 0.9100535300092788
Energy: 0.8533004262203595
Energy: 0.9100535299993406
Energy: 1.5724563478866955
Energy: 1.0247810637508343
Energy: 0.8770850177053412
Energy: 1.0247810637475219
Energy: 1.3708014202811993
Energy: 1.1388424386976517
Energy: 0.873248815955585
Energy: 1.1388424387051053
Energy: 1.3935885837799709
Energy: 1.139778124778539
Energy: 0.883512373946187
Energy: 1.139778124768601
Energy: 0.9110129972615578
Energy: 1.0044516378687915
Energy: 0.8532918717562846
Energy: 1.0044516378687915
Energy: 1.3737376911411665
Energy: 1.024007614414275
Energy: 0.877008450622379
Energy: 1.0240076144109622
Energy: 0.8759560368532068
Energy: 0.9071830378444433
Energy: 1.1670882185412699
Energy: 0.907183037842787
Energy: 0.8717771918601338
Energy: 1.2454860631780944
Energy: 0.8832729603195786
Energy: 1.2454860631747817
Energy: 0.8799168595923768
Energy: 1.0050178914755414
Energy: 1.1525916571850687
Energy: 1.0050178914821668
Energy: 0.8633977284107608
Energy: 1.051017254755197
Energy: 0.8806282333067698
Energy: 1.0510172547436025
Energy: 0.8832337579151518
Energy: 0.9082635208340716
Energy: 1.1653367804351433
Energy: 0.9082635208340716
Energy: 0.855403883796212
Energy: 1.2456455604001595
Energy: 0.9161610500523356
Energy: 1.2456455604001595

minimum gb energy = 0.8532918717562846 eV
minimum distance =  2.26881881079266 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.2337294514083477
Energy: 0.8204048195605065
Energy: 1.4554542864927236
Energy: 0.8204048195562968
Energy: 1.420762327788471
Energy: 0.8166275919170929
Energy: 0.8180716706767103
Energy: 0.8166275919177947
Energy: 0.8474727509143886
Energy: 0.8158838446117309
Energy: 1.062895771117395
Energy: 0.8158838446061183
Energy: 1.2444174644550976
Energy: 0.8180614822261673
Energy: 0.8183215276519539
Energy: 0.8180614822212562
Energy: 0.81481919516859
Energy: 0.9016100439721928
Energy: 0.790785669949373
Energy: 0.9016100439574595
Energy: 1.236917632141333
Energy: 0.8175789808794888
Energy: 0.8180663717522301
Energy: 0.8175789808563365
Energy: 0.8174599750781583
Energy: 1.0261170294508433
Energy: 0.8108273806835883
Energy: 1.0261170294438275
Energy: 1.0227111545325867
Energy: 0.8316406048921096
Energy: 0.8181302840481335
Energy: 0.8316406048963192
Energy: 0.8200953697576935
Energy: 0.8335026990445016
Energy: 1.0292807570645164
Energy: 0.8335026990515174
Energy: 0.7836007859875246
Energy: 0.8165846482716914
Energy: 0.8156395881106886
Energy: 0.8165846480809881
Energy: 0.8176378912256074
Energy: 0.8179297955693399
Energy: 1.2451030411631214
Energy: 0.817929795532156
Energy: 0.7822374403068039
Energy: 0.8163447227244794
Energy: 0.8481946514195324
Energy: 0.8163447227202701
Energy: 0.8201197876147801
Energy: 0.8341070285712686
Energy: 1.5762473738462985
Energy: 0.8341070285719702
Energy: 0.7832433855032359
Energy: 0.8206779010115632
Energy: 1.2340043032831174
Energy: 0.8206779010129663
Energy: 0.8174726618797669
Energy: 0.8171227636058477
Energy: 1.5838242834881608
Energy: 0.8171227636395237
Energy: 1.0449303496294369
Energy: 0.8163404216617429
Energy: 0.8482310585789988
Energy: 0.816340421666654
Energy: 0.8201121647392507
Energy: 0.8323148522423642
Energy: 1.494644973933584
Energy: 0.8323148522402595
Energy: 1.0585156737728194
Energy: 0.9056303132988728
Energy: 0.8155382371115072
Energy: 0.9056303133100981
Energy: 0.8176802630810707
Energy: 0.8161198060448345
Energy: 1.2348821349079107
Energy: 0.8161198060490441
Energy: 1.0551717424139002
Energy: 0.8174454406996324
Energy: 0.8182755338932702
Energy: 0.8174454406961246
Energy: 0.8200267871386128
Energy: 0.8489115292214767
Energy: 1.0192417467478103
Energy: 0.8489115292158641
Energy: 1.0464054528492903
Energy: 0.8327220798031632
Energy: 0.8234025672744707
Energy: 0.8327220798122839
Energy: 0.8176884197059779
Energy: 0.8156085877965334
Energy: 0.78321988356772
Energy: 0.815608587792324
Energy: 1.463153141213734
Energy: 0.8176487385492514
Energy: 0.818391379864434
Energy: 0.8176487385527593
Energy: 0.8502748567514026
Energy: 0.8483165899173806
Energy: 0.7817559454642936
Energy: 0.8483165899229932
Energy: 1.42348091028473
Energy: 0.8313658024394989
Energy: 0.8231168142723816
Energy: 0.8313658024507242
Energy: 1.2356474967800948
Energy: 0.8158573071619935
Energy: 0.7831779013691339
Energy: 0.8158573071528727
Energy: 1.5803304181255724
Energy: 0.8171894919543304
Energy: 0.8183582161120379
Energy: 0.8171894919501208
Energy: 0.8501005177064094
Energy: 0.9280444875332091
Energy: 0.8036990821194762
Energy: 0.9280444875402251
Energy: 1.2476137595988372
Energy: 0.8316988117957578
Energy: 0.8234963190085771
Energy: 0.8316988117908467
Energy: 0.817394937856336
Energy: 0.8954929080849671
Energy: 1.0547821938140238
Energy: 0.895492908083564
Energy: 1.2344780038832186
Energy: 0.8151148973170118
Energy: 0.8184059928822457
Energy: 0.8151148973177134
Energy: 0.82018370793884
Energy: 0.932618060997569
Energy: 1.0515799330798963
Energy: 0.9326180610038834
Energy: 0.7931252940619333
Energy: 0.8479757733871253
Energy: 0.823426455713182
Energy: 0.847975773384319
Energy: 0.7978321236145052
Energy: 0.8953689370581139
Energy: 1.0624186658541193
Energy: 0.8953689370672346
Energy: 0.8029382240122436
Energy: 0.8149266738471711
Energy: 0.8207878541818211
Energy: 0.8149266738464697
Energy: 0.8201405568108883
Energy: 0.9353881971443789
Energy: 1.4586548316725831
Energy: 0.9353881971450807

minimum gb energy = 0.7817559454642936 eV
minimum distance =  2.27792139116555 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.2448738766708656
Energy: 0.8115107223203161
Energy: 0.943021952185174
Energy: 0.8115107223221414
Energy: 1.5133149615623793
Energy: 0.7967772744566186
Energy: 0.7487838475964254
Energy: 0.7967772744639203
Energy: 1.201711531276212
Energy: 0.8048581464210599
Energy: 1.0982767409472567
Energy: 0.8048581464168005
Energy: 1.4767480718346533
Energy: 0.7913220305344265
Energy: 0.7488556328142939
Energy: 0.7913220305526811
Energy: 0.880024934315367
Energy: 0.7587460133574923
Energy: 0.7516879221094868
Energy: 0.7587460133574923
Energy: 1.3221008829903085
Energy: 0.8036304209559518
Energy: 0.7486630299115927
Energy: 0.8036304209523011
Energy: 0.8362925181309154
Energy: 0.9712061807914439
Energy: 0.8463598683239812
Energy: 0.9712061807987457
Energy: 1.1637101715859732
Energy: 0.7890602112159817
Energy: 0.7593373609378624
Energy: 0.789060211221458
Energy: 0.7587718238696011
Energy: 0.9282094932550329
Energy: 1.035654087345395
Energy: 0.9282094932532076
Energy: 0.988650252917964
Energy: 0.8067095891334936
Energy: 0.837041981897147
Energy: 0.8067095891365359
Energy: 0.7494867136129534
Energy: 0.7900364949194494
Energy: 1.2088449319369765
Energy: 0.7900364949115392
Energy: 0.7957380182444442
Energy: 0.7983827761011663
Energy: 0.8804761641721327
Energy: 0.7983827760969068
Energy: 0.7481648204863173
Energy: 0.7659487432252211
Energy: 1.3624930199037195
Energy: 0.7659487432221787
Energy: 0.7027968349897639
Energy: 0.8050127025936377
Energy: 1.2020637263395175
Energy: 0.8050127026051712
Energy: 0.7496481745746768
Energy: 0.789972752126763
Energy: 1.6284783573640007
Energy: 0.7899727521352817
Energy: 0.6993256534515849
Energy: 0.7950933912422463
Energy: 1.1526909913852756
Energy: 0.7950933912537798
Energy: 0.7481374770036214
Energy: 0.7678254184513853
Energy: 1.5522210351436916
Energy: 0.7678254184532106
Energy: 0.9108751505304952
Energy: 0.8049897130575702
Energy: 1.202065581606002
Energy: 0.8049897130539192
Energy: 0.7508074707585484
Energy: 0.7912196226867757
Energy: 1.477038758014467
Energy: 0.7912196227640257
Energy: 0.9245965620371458
Energy: 0.7950108395841045
Energy: 0.8804882980197135
Energy: 0.7950108395865384
Energy: 0.7494046916409192
Energy: 0.778154791957004
Energy: 1.3217899518368834
Energy: 0.7781547919576125
Energy: 1.014393422157313
Energy: 0.7903304103137951
Energy: 0.8370045534712037
Energy: 0.7903304103101442
Energy: 0.7600909789678553
Energy: 0.7886924639802558
Energy: 1.1637889183418146
Energy: 0.7886924639869493
Energy: 1.0253672385901984
Energy: 0.8179803479812843
Energy: 0.7597694526169213
Energy: 0.8179803479751995
Energy: 0.8391695628472596
Energy: 0.8689433982984613
Energy: 0.9881156166908082
Energy: 0.8689433982935933
Energy: 1.375662007871132
Energy: 0.7902073874019361
Energy: 0.7498891988657789
Energy: 0.790207387390375
Energy: 0.8825285686372174
Energy: 0.7886780935132894
Energy: 0.7958269527353983
Energy: 0.7886780935108555
Energy: 1.3922869111927794
Energy: 0.8182385075103583
Energy: 0.7490325339931261
Energy: 0.8182385075115753
Energy: 1.2028939187735062
Energy: 0.8843516734313919
Energy: 0.7006637797508395
Energy: 0.8843516734393021
Energy: 1.628806824220221
Energy: 0.7902251826718357
Energy: 0.7515171834565935
Energy: 0.7902251826176806
Energy: 1.246653680946476
Energy: 0.8028198970803351
Energy: 0.6994480248878615
Energy: 0.8028198970663677
Energy: 1.5033206628116518
Energy: 0.822704219333309
Energy: 0.7488249056816711
Energy: 0.8227042193278326
Energy: 1.2029340694781467
Energy: 0.8840201358953961
Energy: 0.7041040909687561
Energy: 0.8840201358917451
Energy: 1.4767590208803951
Energy: 0.7910227078912035
Energy: 0.7508921887933824
Energy: 0.7910227078887696
Energy: 0.8826852584232123
Energy: 0.7885657392986022
Energy: 0.9245256097502093
Energy: 0.7885657392979936
Energy: 1.1848946978471993
Energy: 0.8289298929836595
Energy: 0.7515000859942335
Energy: 0.8289298929824425
Energy: 0.8390735683976558
Energy: 0.947907377152907
Energy: 1.018062262465551
Energy: 0.947907377157775
Energy: 1.1638026525769007
Energy: 0.7884443444966429
Energy: 0.7627237466686547
Energy: 0.7884443444978599
Energy: 0.760575322941843
Energy: 0.7887108527860233
Energy: 1.0258671741835603
Energy: 0.7887108527762875
Energy: 0.812375884046905
Energy: 0.841453232617542
Energy: 0.8414669270742164
Energy: 0.8414532326181506
Energy: 0.7480166916259218
Energy: 0.9480169753318008
Energy: 1.3759582966942283
Energy: 0.9480169753324094
Energy: 0.796264017730888
Energy: 0.788421177184373
Energy: 0.8847176405990465
Energy: 0.7884211771813304
Energy: 0.7493241095279342
Energy: 0.7885343463414161
Energy: 1.394386229973476
Energy: 0.7885343463322889

minimum gb energy = 0.6993256534515849 eV
minimum distance =  2.28374736868449 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.020539386092367294
Energy: 0.021483649841634953
Energy: 2.3122949163732467
Energy: 0.021483649845740943
Energy: 0.9983462110986934
Energy: 0.3761080090469115
Energy: 0.37575655302631183
Energy: 0.37610800904462466
Energy: 0.020539386092367294
Energy: 0.021483649842986292
Energy: 2.31229491637096
Energy: 0.021483649845273175
Energy: 0.9983462111000446
Energy: 0.3761080090441568
Energy: 0.3757565512259636
Energy: 0.3761080090432733
Energy: 0.020539386092367294
Energy: 0.021483649841167178
Energy: 0.9993841733644924
Energy: 0.0214836498448054
Energy: 0.9983462110995768
Energy: 0.3761080090455602
Energy: 0.37575654939682146
Energy: 0.37610800904462466

minimum gb energy = 0.020539386092367294 eV
minimum distance =  2.47830828509756 Angstroms
sigma value = 1