Model name: model_name=EAM_Mendelev_2019_CuZr__MO_945018740343_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.640646010637284
cohesive_energy=3.276684801703484
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.012498829210773934
Energy: 1.0416152231891878
Energy: 0.0124988292119764
Energy: 1.041615223186474
Energy: 0.012498829204727252
Energy: 1.0416152231882603
Energy: 1.0416152231798086
Energy: 0.9016274537876897
Energy: 1.0416152231912836
Energy: 0.9016274537871056
Energy: 1.0416152231752736
Energy: 0.9016274537886173
Energy: 0.012498829199883035
Energy: 1.041615223192795
Energy: 0.01249882920984632
Energy: 1.0416152231924862
Energy: 0.012498829204727252
Energy: 1.0416152231979487
Energy: 1.0416152231770943
Energy: 0.9016274537813681
Energy: 1.0416152231798086
Energy: 0.901627453781059
Energy: 1.0416152231825229
Energy: 0.9016274537726072
Energy: 0.012498829210464732
Energy: 1.041615223178915
Energy: 0.012498829206548129
Energy: 1.0416152231779876
Energy: 0.012498829220118812
Energy: 1.0416152231843439
Energy: 1.0416152231749642
Energy: 0.9016274537919499
Energy: 1.041615223183141
Energy: 0.9016274538012947
Energy: 1.0416152231743803
Energy: 0.9016274537735006

minimum gb energy = 0.012498829199883035 eV
minimum distance =  2.28989910368586 Angstroms
sigma value = 1


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

Energy: 1.0363418148385248
Energy: 0.9770782945178355
Energy: 0.9807155669581615
Energy: 0.9770782945260227
Energy: 1.0363418148355477
Energy: 0.9770782945230455
Energy: 1.192132069235183
Energy: 0.9106149413724994
Energy: 1.1921647134835287
Energy: 0.9106149413643122
Energy: 1.19237649187424
Energy: 0.9106149413672894
Energy: 1.016151418824781
Energy: 1.014762563814522
Energy: 1.0161514188255256
Energy: 1.0147625638204765
Energy: 1.0161514188359455
Energy: 1.0147625638383055
Energy: 1.152713113710288
Energy: 0.9377790688433733
Energy: 1.1527131137214186
Energy: 0.937779068839652
Energy: 1.1527131137273727
Energy: 0.9377790688448621
Energy: 0.9912731814556068
Energy: 1.0557218877729406
Energy: 0.991273181458584
Energy: 1.0557218877647534
Energy: 0.9912731814563511
Energy: 1.0557218877573105
Energy: 1.0703873310395962
Energy: 0.9460731781349715
Energy: 1.0703873310433176
Energy: 0.946073178146136
Energy: 1.0703873310351304
Energy: 0.9460731781342271
Energy: 0.9585842398818326
Energy: 1.0076895389144334
Energy: 0.9585842398944857
Energy: 1.0076895389040132
Energy: 0.9585842398870428
Energy: 1.0076895390044591
Energy: 0.9416711789334204
Energy: 1.044010027543238
Energy: 0.9416711789341647
Energy: 1.0440100275395163
Energy: 0.9416711789274999
Energy: 1.0440100275365392
Energy: 1.0493498603866076
Energy: 1.0226752295851194
Energy: 1.0493498603880962
Energy: 1.02267522959625
Energy: 1.0493498603843747
Energy: 1.022675229598483
Energy: 0.8948630189178147
Energy: 1.1098178165449195
Energy: 0.8948630189170704
Energy: 1.109817816528579
Energy: 0.8948630189178147
Energy: 1.1098178165397434
Energy: 1.0771217268117699
Energy: 0.9463585499856828
Energy: 1.0771217268140025
Energy: 0.9463585499804728
Energy: 1.0771217268251672
Energy: 0.9463585499894045
Energy: 0.9249514037569736
Energy: 1.380381776049138
Energy: 0.9249587531710324
Energy: 1.3803817760469048
Energy: 0.9249514037688822
Energy: 1.380381776049138
Energy: 1.1878524507438502
Energy: 0.9145140719771676
Energy: 1.1878524507431056
Energy: 0.9145140719779119
Energy: 1.187852450748316
Energy: 0.9145140719794004
Energy: 0.9590963932853438
Energy: 0.9885146919785585
Energy: 0.9590463142691015
Energy: 0.988514691969627
Energy: 0.9590963932927867
Energy: 0.9885146919614398
Energy: 1.1854091930903912
Energy: 0.9298512811634425
Energy: 1.1123490063117347
Energy: 0.9298512811448352
Energy: 1.1854091930889026
Energy: 0.929851281174573
Energy: 1.1928025085696279
Energy: 1.0067419693918573
Energy: 1.130561335269904
Energy: 1.0067419694119533
Energy: 1.1928025085681393
Energy: 1.0067419694052546
Energy: 1.015828017140139
Energy: 0.9739936952424222
Energy: 1.0158280171468375
Energy: 0.9739936952506094
Energy: 1.0158280171408833
Energy: 0.9739936952498651
Energy: 1.0157600646436016
Energy: 0.9396964023610183
Energy: 1.015760064637647
Energy: 0.9396964023431891
Energy: 1.015760064642857
Energy: 0.9396964023446776
Energy: 0.9274697058573653
Energy: 0.9365342962810843
Energy: 0.9274697058521554
Energy: 0.9365342962795958
Energy: 0.9274697058521554
Energy: 0.9365342962795958
Energy: 1.0626005309379631
Energy: 0.9462825751149486
Energy: 1.06260053093573
Energy: 0.9462825751112272
Energy: 1.0626005309275768
Energy: 0.9462825751045286
Energy: 0.9379811699752456
Energy: 1.036155763180543
Energy: 0.9379811699730127
Energy: 1.036155757729527
Energy: 0.9379811699752456
Energy: 1.036155761098952
Energy: 1.0501523816948863
Energy: 1.0255597137667378
Energy: 1.0495508506859144
Energy: 1.0255597137689707
Energy: 1.050152381683722
Energy: 1.0255597137659935
Energy: 0.8818642558881257
Energy: 1.2339015962691104
Energy: 0.8818642558777054
Energy: 1.2339015962727982
Energy: 0.8818642558791939
Energy: 1.2339015962713096

minimum gb energy = 0.8818642558777054 eV
minimum distance =  2.31272867555129 Angstroms
sigma value = 33


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

Energy: 1.0853348052613407
Energy: 1.042316845671871
Energy: 1.0475774268202251
Energy: 1.0423168456714476
Energy: 1.0853348052672296
Energy: 1.042316845671024
Energy: 1.1773509943154012
Energy: 0.9420695651523767
Energy: 1.1773509943082041
Energy: 0.9420695651502599
Energy: 1.177350994317518
Energy: 0.9420695651511066
Energy: 0.9228898441803657
Energy: 0.9406443265455776
Energy: 0.9228898441812123
Energy: 0.9406443265476943
Energy: 0.9228898441833292
Energy: 0.9406443265392272
Energy: 1.0725140175573493
Energy: 1.064423508550641
Energy: 1.0725140175556558
Energy: 1.0644235085497944
Energy: 1.0725140175598895
Energy: 1.0644235085522962
Energy: 0.9826161304755311
Energy: 0.9754082535728696
Energy: 0.9826161304679106
Energy: 0.975408253564441
Energy: 0.9826161304776478
Energy: 0.9754082535580907
Energy: 0.9426574524740126
Energy: 0.9227864881489853
Energy: 0.9426574524697792
Energy: 0.9227864881472919
Energy: 0.9426574524702023
Energy: 0.9227864881468686
Energy: 1.1749988813628036
Energy: 1.0239386250080165
Energy: 1.1749988813568766
Energy: 1.0239386249906588
Energy: 1.1749988813623802
Energy: 1.0239386249936222
Energy: 0.8912156407412253
Energy: 1.0849716792631665
Energy: 0.8912156407386852
Energy: 1.0849716792563928
Energy: 0.8912156407357218
Energy: 1.0849716792576631
Energy: 0.9339720455921103
Energy: 0.9265342582830783
Energy: 0.9339720456005774
Energy: 0.926534258280538
Energy: 0.9339720455954971
Energy: 0.9265342582771513
Energy: 0.9073200986370463
Energy: 1.0936303397919738
Energy: 0.9073188756968846
Energy: 1.0936303397788496
Energy: 0.9073200986446667
Energy: 1.09363033978647
Energy: 1.1636086826402254
Energy: 0.9093402663591478
Energy: 1.1636086826381087
Energy: 0.909340266361688
Energy: 1.1636086826410725
Energy: 0.9093402663731185
Energy: 0.9240076065804064
Energy: 1.0151669578852514
Energy: 0.924009404709586
Energy: 1.015166957900492
Energy: 0.9240076065660124
Energy: 1.015166957898375
Energy: 0.986051595747149
Energy: 0.9134973147394924
Energy: 0.9860515957407986
Energy: 0.9134973147369524
Energy: 0.9860515957534992
Energy: 0.9134973147407626
Energy: 0.9857726329252655
Energy: 1.083412351669744
Energy: 0.9857726329227255
Energy: 1.0834123516921816
Energy: 0.9857726329261123
Energy: 1.083412351674401
Energy: 0.9903978555749816
Energy: 0.9411268761303663
Energy: 0.9903978555859887
Energy: 0.9411268761320597
Energy: 0.9903978555792151
Energy: 0.9411268761290962
Energy: 0.9229370194444819
Energy: 0.9408025516012828
Energy: 0.9229370194491386
Energy: 0.9408025515957792
Energy: 0.9229370194465987
Energy: 0.940802551596626
Energy: 1.0724551727781306
Energy: 1.0633904575039765
Energy: 1.0724551727882912
Energy: 1.063390457491276
Energy: 1.072455172792948
Energy: 1.063390457495933
Energy: 0.9825016095790261
Energy: 0.9228685838814121
Energy: 0.9825016095853764
Energy: 0.9228685838788719
Energy: 0.9825016095997703
Energy: 0.9228685838754851
Energy: 0.9439145409488822
Energy: 0.9629572290309368
Energy: 0.9439145409454952
Energy: 0.9629572290330535
Energy: 0.9439145409467654
Energy: 0.962957229024163
Energy: 1.0612638111831114
Energy: 1.0277650007175239
Energy: 1.06132108903506
Energy: 1.0277650007196404
Energy: 1.061263811186498
Energy: 1.0277650007171004
Energy: 0.9032587882365481
Energy: 1.1521069042406131
Energy: 0.9032539988800327
Energy: 1.1521069042448469
Energy: 0.9032587882365481
Energy: 1.15210690424527
Energy: 1.133337976585824
Energy: 0.9266169053778178
Energy: 1.1333379765752403
Energy: 0.9266169053854383
Energy: 1.1333379765523792
Energy: 0.9266169053740078
Energy: 0.9075807261895985
Energy: 1.2374708247679582
Energy: 0.9075723347515482
Energy: 1.2374708247658415
Energy: 0.9075807261752045
Energy: 1.2374708247645712
Energy: 1.1157279170084466
Energy: 0.9828487557122111
Energy: 1.1157279170004029
Energy: 0.9828487556995105
Energy: 1.1157279170004029
Energy: 0.9828487557033206
Energy: 0.9228122334873272
Energy: 0.9425165491974555
Energy: 0.922817761168763
Energy: 0.9425165491906817
Energy: 0.9228122334852105
Energy: 0.942516549199149
Energy: 1.0847317001203487
Energy: 1.010574010641074
Energy: 1.0472871125759886
Energy: 1.0105740106414975
Energy: 1.084731700119502
Energy: 1.0105740106368406
Energy: 1.0847683966184893
Energy: 1.0043781689903093
Energy: 1.0471753418244771
Energy: 1.004378168981419
Energy: 1.0847683966231465
Energy: 1.0043781689860758
Energy: 0.9229404716529414
Energy: 0.9406635735475731
Energy: 0.9229404716482844
Energy: 0.9406635735509601
Energy: 0.9229404716529414
Energy: 0.9406635735479966
Energy: 1.1000214201546867
Energy: 0.9419631262099697
Energy: 1.10002142014876
Energy: 0.941963126211663
Energy: 1.1000214201529934
Energy: 0.9419631262099697
Energy: 0.9073612426822043
Energy: 1.1550116985832612
Energy: 0.9073612426822043
Energy: 1.1550116985714074
Energy: 0.9073612426834745
Energy: 1.1550116985794512
Energy: 1.2693137799527494
Energy: 0.9267208506751885
Energy: 1.269313779958253
Energy: 0.9267208506785751
Energy: 1.2693137799523262
Energy: 0.9267208506726483
Energy: 0.912443133946525
Energy: 1.0251446561390174
Energy: 0.9124431339482186
Energy: 1.025144656140711
Energy: 0.9124431339456784
Energy: 1.025144656137324
Energy: 1.0413500067248345
Energy: 1.0277612237907319
Energy: 1.0413500067252581
Energy: 1.0277612237797247
Energy: 1.0413500067316084
Energy: 1.027761223787345
Energy: 0.9411549304976267
Energy: 0.9903120532634863
Energy: 0.941154930490853
Energy: 0.9903120532520557
Energy: 0.9411549304840793
Energy: 0.9903120532588294
Energy: 0.9405036554827041
Energy: 0.9227814301489532
Energy: 0.9405036554509525
Energy: 0.9227814301476831
Energy: 0.9405036554585728
Energy: 0.9227814301409094
Energy: 1.0663435623828645
Energy: 1.0724954710835892
Energy: 1.0663435623782078
Energy: 1.0724954710806258
Energy: 1.0663435623824413
Energy: 1.072495471078509
Energy: 0.9234607638038408
Energy: 0.9826598928689911
Energy: 0.9234656535472905
Energy: 0.9826598928698377
Energy: 0.9234607638089211
Energy: 0.9826598928656044
Energy: 0.9404465930385745
Energy: 0.9424847652538465
Energy: 0.940446593036881
Energy: 0.9424847652568098
Energy: 0.9404465930326474
Energy: 0.9424847652517296
Energy: 0.9857607795324103
Energy: 1.0439860403408703
Energy: 0.9857607795290234
Energy: 1.043986040353571
Energy: 0.9857607795353738
Energy: 1.0439860403523007
Energy: 1.0853839478345129
Energy: 0.8907537798856902
Energy: 1.0853839478252374
Energy: 0.890753779886537
Energy: 1.085383947786289
Energy: 0.8907537798823034
Energy: 0.9241446101053985
Energy: 0.9329771627119146
Energy: 0.9241446101138656
Energy: 0.9329771627224984
Energy: 0.9241446101032816
Energy: 0.9329771627127613

minimum gb energy = 0.8907537798823034 eV
minimum distance =  2.38510127421405 Angstroms
sigma value = 51


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

Energy: 0.9674734225027396
Energy: 0.9937312373092823
Energy: 0.9674734225066632
Energy: 0.9937312373043777
Energy: 0.967473422517453
Energy: 0.9937312373141867
Energy: 1.055538394567239
Energy: 0.9587256644584368
Energy: 1.0555383945623344
Energy: 0.9587256644545131
Energy: 1.0555383945682197
Energy: 0.9587256644643221
Energy: 0.9353309199808051
Energy: 1.1526679888546367
Energy: 0.9353309199788433
Energy: 1.1526679888605225
Energy: 0.9353309199837477
Energy: 1.1526679888605225
Energy: 0.9826727585636025
Energy: 0.8829722206991817
Energy: 0.9826727585645834
Energy: 0.8829722207070065
Energy: 0.9826727585626215
Energy: 0.8829722206991817
Energy: 1.007027966022282
Energy: 0.9433191424000272
Energy: 1.0070279660360146
Energy: 0.9433191424019891
Energy: 1.0070279660271866
Energy: 0.9433191424039509
Energy: 1.0073652034380298
Energy: 0.9432368250562403
Energy: 1.0073652034507816
Energy: 0.9432368250680111
Energy: 1.007365203435087
Energy: 0.9432368250601639
Energy: 1.0519394313067665
Energy: 0.9430903922070265
Energy: 1.0519394312999002
Energy: 0.9430903921981983
Energy: 1.0519394313087282
Energy: 0.9430903922031029
Energy: 0.9257869156711165
Energy: 0.9437973880908799
Energy: 0.9257869156711165
Energy: 0.9437973880801122
Energy: 0.9257869156838459
Energy: 0.9437973880889404
Energy: 1.1621201268476231
Energy: 0.8828975894609403
Energy: 1.1621201268436996
Energy: 0.8828975894521122
Energy: 1.1621201268525276
Energy: 0.8828975894501503
Energy: 0.8991139051595073
Energy: 1.1360047243466789
Energy: 0.8991139051585263
Energy: 1.1360047243427553
Energy: 0.8991139051575454
Energy: 1.1360047243525642
Energy: 1.0444701217362584
Energy: 0.8971727515789651
Energy: 1.0444701217293921
Energy: 0.897172751577984
Energy: 1.0444701217333159
Energy: 0.8971727515848504
Energy: 0.9637402107749571
Energy: 0.9930003948698494
Energy: 0.9637402107759379
Energy: 0.9930003948776964
Energy: 0.9637402107847661
Energy: 0.9930003948786774
Energy: 1.157616024753428
Energy: 0.9601234894648769
Energy: 1.1576160247475424
Energy: 0.9601234894472428
Energy: 1.1576160247514662
Energy: 0.9601234894531283
Energy: 0.9354477457867716
Energy: 0.9370743347907982
Energy: 0.9354477457799053
Energy: 0.9370743347957026
Energy: 0.9354477458063672
Energy: 0.9370743347898172
Energy: 0.9882333891486406
Energy: 0.9914057372183905
Energy: 0.9882333891466788
Energy: 0.9914057372144669
Energy: 0.9882333891407933
Energy: 0.9914057372144669
Energy: 1.0073832429278935
Energy: 0.9431784680971881
Energy: 1.0073832429377028
Energy: 0.9431784681011115
Energy: 1.007383242941626
Energy: 0.9431784681011115
Energy: 1.007109037888763
Energy: 1.0248329590079337
Energy: 1.007109037899553
Energy: 1.0248329590020482
Energy: 1.007109037899553
Energy: 1.0248329590118572
Energy: 0.979066803209376
Energy: 0.9437167559281868
Energy: 0.9790668032015288
Energy: 0.9437167559144765
Energy: 0.9790668032025096
Energy: 0.943716755926225

minimum gb energy = 0.8828975894501503 eV
minimum distance =  2.24843406046828 Angstroms
sigma value = 19


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

Energy: 0.9588065251674055
Energy: 0.978011238862462
Energy: 0.8715392330267129
Energy: 0.9780112388612984
Energy: 0.9588065251639144
Energy: 0.978011238858389
Energy: 1.0890056571065154
Energy: 0.993231767062063
Energy: 1.0890056570128916
Energy: 0.9932317670614811
Energy: 1.0890056571512907
Energy: 0.9932317670626448
Energy: 0.9263151363758294
Energy: 0.8016192945469629
Energy: 0.9263151363758294
Energy: 0.801619294565582
Energy: 0.9263151363769933
Energy: 0.8016192945766105
Energy: 1.0006974153841646
Energy: 0.9267936383819879
Energy: 1.000697415393474
Energy: 0.9269509738288111
Energy: 1.000697415389401
Energy: 0.9267936383715413
Energy: 0.921523790833497
Energy: 0.8988878019845049
Energy: 0.9215237908346608
Energy: 0.8542918635221046
Energy: 0.9215237908433885
Energy: 0.8988878019891599
Energy: 0.8637849397996403
Energy: 0.8988332497360231
Energy: 0.8637864209006907
Energy: 0.8542614969021135
Energy: 0.8637849398037133
Energy: 0.8988332497307865
Energy: 0.8513384185510031
Energy: 0.9271169788032715
Energy: 0.8513384185434391
Energy: 0.9271169787997803
Energy: 0.8513384185556314
Energy: 0.9271169788055987
Energy: 0.9260872228712402
Energy: 1.0796717376305274
Energy: 0.9261356528955496
Energy: 1.0796717377288323
Energy: 0.9260872228770323
Energy: 1.0796717376776566
Energy: 0.9252120618886138
Energy: 0.9499930540797318
Energy: 0.9252436554690299
Energy: 0.9499930540570398
Energy: 0.925212061888032
Energy: 0.949993054052967
Energy: 0.8999748119814462
Energy: 0.9710604153540654
Energy: 0.8999584538683856
Energy: 0.9713683828604945
Energy: 0.899974811982028
Energy: 0.9710604153540654
Energy: 1.0890056571216433
Energy: 0.993231767062063
Energy: 1.089005657011146
Energy: 0.9932317670591804
Energy: 1.0890056570309024
Energy: 0.9932317670585984
Energy: 0.9263151363828117
Energy: 0.8016192945620909
Energy: 0.9263151363723384
Energy: 0.801619294554527
Energy: 0.9263151363769933
Energy: 0.8016192945684647
Energy: 1.000697415389983
Energy: 0.9269417424025351
Energy: 1.0006974153981287
Energy: 0.9269395086996808
Energy: 1.0006974154062747
Energy: 0.9269417424077717
Energy: 0.9215237908369882
Energy: 0.8543012252168428
Energy: 0.9215237908346608
Energy: 0.8989458215618266
Energy: 0.9215237908387338
Energy: 0.8543012252098607
Energy: 0.8528073264039083
Energy: 0.8543079015371207
Energy: 0.8528073264068176
Energy: 0.8989330323227029
Energy: 0.8528073264079813
Energy: 0.8543079015278109
Energy: 0.8513384185434391
Energy: 0.9271169788067625
Energy: 0.8513384185393662
Energy: 0.9271169787957074
Energy: 0.851338418547512
Energy: 0.9271169788003621
Energy: 0.9124376605650285
Energy: 1.0796717377102136
Energy: 0.9123570350021311
Energy: 1.0796717377067224
Energy: 0.9124376605609557
Energy: 1.0796717377387237
Energy: 0.9067756506873011
Energy: 0.9499930540843865
Energy: 0.9251287173822538
Energy: 0.9499930540930875
Energy: 0.9067756506710096
Energy: 0.9499930540948331
Energy: 0.9588065251627507
Energy: 0.9780112388618802
Energy: 0.8715392330133304
Energy: 0.978011238862462
Energy: 0.9588065251662418
Energy: 0.97801123885548
Energy: 1.0890056571251343
Energy: 0.9932317670655539
Energy: 1.0890056571204794
Energy: 0.9932317670562709
Energy: 1.0890056570594127
Energy: 0.9932317670574347
Energy: 0.9263151363717564
Energy: 0.8016192945894111
Energy: 0.9263151363705929
Energy: 0.8016192945487086
Energy: 0.9263151363799023
Energy: 0.8016192945760288
Energy: 1.000697415397547
Energy: 0.9267936383657229
Energy: 1.000697415396965
Energy: 0.9269509738288111
Energy: 1.000697415393474
Energy: 0.9267936383744505
Energy: 0.9215237908358246
Energy: 0.898887801987996
Energy: 0.9215237908358246
Energy: 0.8542918635133769
Energy: 0.92152379083757
Energy: 0.8988878019781047
Energy: 0.863784939797313
Energy: 0.8988332497284591
Energy: 0.8637864209035998
Energy: 0.854261496889313
Energy: 0.863784939797313
Energy: 0.8988332497354413
Energy: 0.8513384185504211
Energy: 0.9271169788015258
Energy: 0.8513384185434391
Energy: 0.9271169787951256
Energy: 0.8513384185446028
Energy: 0.9271169787968712
Energy: 0.9260872228793597
Energy: 1.079671737676493
Energy: 0.9261356529002043
Energy: 1.0796717376299456
Energy: 0.926087222878196
Energy: 1.07967173770905
Energy: 0.9252120618921049
Energy: 0.9499930540337661
Energy: 0.9252436554637934
Energy: 0.9499930540750771
Energy: 0.9252120618868682
Energy: 0.9499930540965787
Energy: 0.899974811982028
Energy: 0.9710604153575566
Energy: 0.8999584538608217
Energy: 0.9713683828581671
Energy: 0.899974811982028
Energy: 0.9710604153581384
Energy: 1.0890056570419573
Energy: 0.9932317670562709
Energy: 1.089005657161764
Energy: 0.9932317670655539
Energy: 1.089005657126298
Energy: 0.9932317670626448
Energy: 0.9263151363682656
Energy: 0.8016192945620909
Energy: 0.9263151363717564
Energy: 0.8016192945894111
Energy: 0.926315136373502
Energy: 0.8016192945882472

minimum gb energy = 0.8016192945469629 eV
minimum distance =  2.3919172519888 Angstroms
sigma value = 27


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

Energy: 0.8160832145130543
Energy: 0.8061877405917032
Energy: 0.8160832145187551
Energy: 0.8061877405817267
Energy: 0.8160832145102039
Energy: 0.8061877405874277
Energy: 0.9436555081218111
Energy: 0.8474020711510453
Energy: 0.9436555081161101
Energy: 0.8474020711396435
Energy: 0.9436555081317874
Energy: 0.8474020711624471
Energy: 0.7814043798076212
Energy: 0.8931369958382929
Energy: 0.7814043798090464
Energy: 0.8931369958397183
Energy: 0.7814043798118968
Energy: 0.8931369958482694
Energy: 0.9273433413342257
Energy: 0.7831783497407573
Energy: 0.9273433413356508
Energy: 0.7831783497165287
Energy: 0.9273433413456273
Energy: 0.7831783497179537
Energy: 0.9271238198554778
Energy: 0.783116823146134
Energy: 0.9271238198640293
Energy: 0.7831168231504096
Energy: 0.927123819862604
Energy: 0.7831168231290313
Energy: 0.9240336955162313
Energy: 0.9486324088615516
Energy: 0.9240336955077123
Energy: 0.9486324088572761
Energy: 0.924033695506287
Energy: 0.9486324088544257
Energy: 0.8978508068429296
Energy: 0.8495201529004949
Energy: 0.7836455347540326
Energy: 0.8495201528919434
Energy: 0.7836455347469065
Energy: 0.849520152894794
Energy: 0.8158614665216183
Energy: 0.8060177764799901
Energy: 0.8158614665272867
Energy: 0.806017776488509
Energy: 0.8158614665230435
Energy: 0.8060177764785648
Energy: 0.9448651852581865
Energy: 0.8286218742549819
Energy: 0.944865185253911
Energy: 0.8286218742777856
Energy: 0.9448651852510607
Energy: 0.8286218742578324
Energy: 0.8951920350175979
Energy: 0.9454362142236553
Energy: 0.8951920350105043
Energy: 0.9454362142379076
Energy: 0.8951920350161725
Energy: 0.9454362142350572
Energy: 0.9493951570680851
Energy: 0.7844166781206624
Energy: 0.9493951570453141
Energy: 0.7844166781235128
Energy: 0.9493951570623842
Energy: 0.784416678117812
Energy: 0.9698068349265151
Energy: 0.8828270399051857
Energy: 0.969806834919389
Energy: 0.8828270399251389
Energy: 0.9698068349250899
Energy: 0.8828270399051857

minimum gb energy = 0.7814043798076212 eV
minimum distance =  2.22304823919921 Angstroms
sigma value = 9


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

Energy: 0.8066869715974875
Energy: 0.8056609160433478
Energy: 0.8066869715994898
Energy: 0.8056609160461509
Energy: 0.8066869716150711
Energy: 0.8056609160313343
Energy: 1.0337655375141763
Energy: 0.7957422908769742
Energy: 1.0337655375005612
Energy: 0.7957422908833814
Energy: 1.0337655375181811
Energy: 0.7781388122533935
Energy: 0.730448802671868
Energy: 0.9120719578863588
Energy: 0.7304488026666621
Energy: 0.9120719580692923
Energy: 0.7304488026734699
Energy: 0.9120719578759472
Energy: 0.7577473006922802
Energy: 0.7088691347353575
Energy: 0.7577473006998888
Energy: 0.7088691347325543
Energy: 0.7577473006954838
Energy: 0.7088691347337556
Energy: 0.806521810638709
Energy: 0.7759744383962022
Energy: 0.8065218106302994
Energy: 0.7759744383982043
Energy: 0.8065218106371072
Energy: 0.7759744384030097
Energy: 0.7922068320187352
Energy: 0.8061752627377881
Energy: 0.7922068320103256
Energy: 0.8061752627373875
Energy: 0.7922068320207375
Energy: 0.7936331921356324
Energy: 0.7491641221373654
Energy: 0.8379966568662295
Energy: 0.7491641221461753
Energy: 0.8379966568666299
Energy: 0.7491641221333609
Energy: 0.8379966568702341
Energy: 0.7002292341948756
Energy: 0.8394548016564279
Energy: 0.7002292342072894
Energy: 0.8394548016504211
Energy: 0.7002292342064887
Energy: 0.8394548016444144
Energy: 0.9343594922636403
Energy: 0.7763941730214522
Energy: 0.9343594922528283
Energy: 0.7763941730238549
Energy: 0.934359492258034
Energy: 0.7763941730250563
Energy: 0.8046078110940343
Energy: 0.9315076314817065
Energy: 0.8046078110876634
Energy: 0.9315076314897156
Energy: 0.8046078110856612
Energy: 0.9315076314940841
Energy: 0.7563219253175353
Energy: 0.7161590622926999
Energy: 0.7563219253135307
Energy: 0.7161590622983063
Energy: 0.7563219253247434
Energy: 0.7161590623071162
Energy: 0.7665653138702843
Energy: 0.8025377038337891
Energy: 0.7665653138718861
Energy: 0.8325008998941797
Energy: 0.7665653138754902
Energy: 0.8025377038385947
Energy: 0.763882477685766
Energy: 0.7839049672836998
Energy: 0.7638824776853655
Energy: 0.7839049672905076
Energy: 0.7638824776861665
Energy: 0.7839049672897067
Energy: 0.8011736144643007
Energy: 0.8053597266918255
Energy: 0.8011736144651015
Energy: 0.8053597266838163
Energy: 0.8011736144558912
Energy: 0.8053597266854181
Energy: 0.7295116661766501
Energy: 0.8201167286255396
Energy: 0.7295116661710438
Energy: 0.8201167286315464
Energy: 0.7295116661718446
Energy: 0.8201167286323474
Energy: 0.7395207722776704
Energy: 0.7725943050965877
Energy: 0.7395207722744668
Energy: 0.7725943051021941
Energy: 0.7395207722732654
Energy: 0.7725943050965877
Energy: 0.9244585202422769
Energy: 0.7091134638567453
Energy: 0.9244585202394737
Energy: 0.7091134638583471
Energy: 0.9244585202462814
Energy: 0.7091134638663562
Energy: 0.7438615133288048
Energy: 0.779293954933857
Energy: 0.7438615133420197
Energy: 0.779293954937461
Energy: 0.7438615133416192
Energy: 0.7792939549342576
Energy: 0.6966891632812338
Energy: 0.960231794250596
Energy: 0.696689163287641
Energy: 0.9602317942489942
Energy: 0.6966891632856387
Energy: 0.9602317942529986
Energy: 0.855810747196066
Energy: 0.7326943287468352
Energy: 0.8558107472068782
Energy: 0.7326943287472356
Energy: 0.855810747183652
Energy: 0.7326943287508396
Energy: 0.6966716687069773
Energy: 0.9602826268441904
Energy: 0.6966716687105814
Energy: 0.9602826268413872
Energy: 0.6966716687169885
Energy: 0.9602826268441904
Energy: 0.7438339438533188
Energy: 0.7792008846346363
Energy: 0.7438339438509162
Energy: 0.7792008846362382
Energy: 0.7438339438449094
Energy: 0.7792008846230596
Energy: 0.9244052753636539
Energy: 0.7089362093217081
Energy: 0.9244052753692603
Energy: 0.7089362093076922
Energy: 0.9244052753636539
Energy: 0.7089362093221085
Energy: 0.7395307713182928
Energy: 0.7498441155012431
Energy: 0.7395307713222975
Energy: 0.7498441154980395
Energy: 0.7395307713226977
Energy: 0.7498441155008426
Energy: 0.7294613939309426
Energy: 0.8201313465917094
Energy: 0.7294613939397525
Energy: 0.8201313465965148
Energy: 0.7294613939325443
Energy: 0.8201313465901077
Energy: 0.801180619896071
Energy: 0.8050115404928848
Energy: 0.8011806199032792
Energy: 0.8050115405052987
Energy: 0.801180619899675
Energy: 0.8050115404900815
Energy: 0.7639472596392421
Energy: 0.7833390538942369
Energy: 0.763947259619256
Energy: 0.7833390539054496
Energy: 0.7639472596588642
Energy: 0.7833390538974406
Energy: 0.7666993295304795
Energy: 0.7299488207907691
Energy: 0.7666993295312804
Energy: 0.7299488207963755
Energy: 0.766699329538889
Energy: 0.7299488208015812
Energy: 0.7563070553927197
Energy: 0.7162200251826242
Energy: 0.7563070553983259
Energy: 0.7162200251830245
Energy: 0.7563070553991268
Energy: 0.7162200251806219
Energy: 0.8039531504042149
Energy: 1.0317843409868492
Energy: 0.8039531504078189
Energy: 1.0317843409916545
Energy: 0.8039531504134253
Energy: 1.0317843409968606
Energy: 0.9341392712107108
Energy: 0.7764086450826736
Energy: 0.9341392712087087
Energy: 0.7764086450830741
Energy: 0.9341392712159168
Energy: 0.7764086450830741
Energy: 0.7002925490810297
Energy: 0.8394152773632848
Energy: 0.700292549077826
Energy: 0.8394152773548754
Energy: 0.7002925490794278
Energy: 0.8394152773732961
Energy: 0.749149566222017
Energy: 0.8378313551754247
Energy: 0.7491495662224175
Energy: 0.8378313551646489
Energy: 0.7491495662268225
Energy: 0.8378313551662143
Energy: 0.7923080359629926
Energy: 0.7383902672525848
Energy: 0.7923080359641939
Energy: 0.7383902672481799
Energy: 0.7923080359706012
Energy: 0.7383902672493812
Energy: 0.8064639843533783
Energy: 0.7759889187691204
Energy: 0.8064639843545797
Energy: 0.7759889187755276
Energy: 0.8064639843585841
Energy: 0.7759889187675185
Energy: 0.7577828609955897
Energy: 0.7089160288413575
Energy: 0.7577828609955897
Energy: 0.7089160288397557
Energy: 0.757782860992386
Energy: 0.708916028841758
Energy: 0.7304253724131636
Energy: 0.9882513037241
Energy: 0.7304253724263785
Energy: 0.9882513037232992
Energy: 0.7304253724207722
Energy: 0.988251303732109
Energy: 1.0336936318144292
Energy: 0.8144620822985251
Energy: 1.0336936318180332
Energy: 0.8144620822981247
Energy: 1.0336936318236396
Energy: 0.8144620822921178
Energy: 0.8066869716106659
Energy: 0.8056609160469519
Energy: 0.8066869716030939
Energy: 0.80566091603654
Energy: 0.8066869716054965
Energy: 0.8056609160445493
Energy: 1.0337655375133756
Energy: 0.7806581918746087
Energy: 1.0337655375121741
Energy: 0.7806581918794141
Energy: 1.0337655375097714
Energy: 0.7806581918738079
Energy: 0.7304488026678635
Energy: 0.9120719578711418
Energy: 0.7304488026614564
Energy: 0.9120719579119876
Energy: 0.7304488026658613
Energy: 0.9120719578443115
Energy: 0.7577473006958843
Energy: 0.708869134735758
Energy: 0.7577473006890767
Energy: 0.7088691347325543
Energy: 0.7577473006878752
Energy: 0.7088691347345566
Energy: 0.8065218106242926
Energy: 0.7759744383929985
Energy: 0.806521810633503
Energy: 0.7759744383933989
Energy: 0.80652181062189
Energy: 0.7759744384022088

minimum gb energy = 0.6966716687069773 eV
minimum distance =  2.32042745144853 Angstroms
sigma value = 57


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

Energy: 0.48452803335798805
Energy: 0.4697395367568345
Energy: 0.3797783082348585
Energy: 0.46973953675045355
Energy: 0.48452803336528066
Energy: 0.4697395367531882
Energy: 0.5118539214551712
Energy: 0.4618206454898834
Energy: 0.5118539214424092
Energy: 0.46182064548714863
Energy: 0.5118539214542596
Energy: 0.46182064548714863
Energy: 0.48916804080057036
Energy: 0.5531242238566569
Energy: 0.4891680407923662
Energy: 0.5531242238502759
Energy: 0.4891680408033051
Energy: 0.5531242238384669
Energy: 0.4716476696131062
Energy: 0.37927291859264795
Energy: 0.471647669611283
Energy: 0.3792729185835323
Energy: 0.4716476696249566
Energy: 0.37927291858444384
Energy: 0.4273549241756154
Energy: 0.5108781837449693
Energy: 0.4273549241819964
Energy: 0.5108781837376767
Energy: 0.427354924189289
Energy: 0.5108781837385883
Energy: 0.3794813039139729
Energy: 0.4885654921679134
Energy: 0.3794813038985176
Energy: 0.4885654921606208
Energy: 0.37948130390759194
Energy: 0.48856549215059347
Energy: 0.37950153521845226
Energy: 0.4068485624786329
Energy: 0.3795015352293911
Energy: 0.40684856246769396
Energy: 0.37950153521845226
Energy: 0.4068485624713403
Energy: 0.5118390551932469
Energy: 0.4257272115092711
Energy: 0.5118390551868659
Energy: 0.42572721151200577
Energy: 0.511839055188689
Energy: 0.42572721150653636
Energy: 0.47181114382154704
Energy: 0.37926741273925163
Energy: 0.47181114382245865
Energy: 0.37926741273742853
Energy: 0.47181114380513883
Energy: 0.3792674127401633
Energy: 0.4051926980723514
Energy: 0.5466499651786939
Energy: 0.40519269806323577
Energy: 0.5466499651941906
Energy: 0.4051926980750861
Energy: 0.5466499652014831
Energy: 0.4284529388030652
Energy: 0.4622205586742853
Energy: 0.42845293880671154
Energy: 0.4622205586697274
Energy: 0.4284529388030652
Energy: 0.4622205586815364
Energy: 0.48452803336163436
Energy: 0.4697395367477188
Energy: 0.37977830823759323
Energy: 0.4697395367440725
Energy: 0.48452803336163436
Energy: 0.4697395367568345
Energy: 0.5118539214588175
Energy: 0.4618206454844139
Energy: 0.5118539214515248
Energy: 0.46182064548897184
Energy: 0.5118539214560827
Energy: 0.46182064549170654
Energy: 0.4891680407969241
Energy: 0.5531242238402901
Energy: 0.4891680407823389
Energy: 0.5531242238457595
Energy: 0.4891680407887199
Energy: 0.5531242238557453
Energy: 0.4716476696067253
Energy: 0.37927291859720585
Energy: 0.4716476696094599
Energy: 0.3792729185807976
Energy: 0.4716476696167525
Energy: 0.3792729185826207
Energy: 0.427354924189289
Energy: 0.5108781837440578
Energy: 0.4273549241819964
Energy: 0.5108781837394999
Energy: 0.42735492417835
Energy: 0.5108781837331189
Energy: 0.37948130390759194
Energy: 0.48856549215332823
Energy: 0.3794813039139729
Energy: 0.4885654921551514
Energy: 0.3794813039167076
Energy: 0.48856549215423983
Energy: 0.37950153522027547
Energy: 0.40684856246587087
Energy: 0.3795015352293911
Energy: 0.40684856247954443
Energy: 0.37950153522301017
Energy: 0.40684856247407497
Energy: 0.511839055188689
Energy: 0.4257272115192984
Energy: 0.51183905519507
Energy: 0.4257272115092711
Energy: 0.511839055182308
Energy: 0.4257272115092711

minimum gb energy = 0.37926741273742853 eV
minimum distance =  2.469137107259 Angstroms
sigma value = 11


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

Energy: 0.7123277383506449
Energy: 0.8271366429506476
Energy: 0.6396539194337725
Energy: 0.8271366429559894
Energy: 0.7123277383773547
Energy: 0.8271366429546541
Energy: 0.778314180911874
Energy: 0.7886060356278414
Energy: 0.7783141803745824
Energy: 0.7886060356331834
Energy: 0.7783141806442299
Energy: 0.7886060356285092
Energy: 0.8268613298495663
Energy: 0.9798320386553206
Energy: 0.8663282412735859
Energy: 0.9798320386593272
Energy: 0.8495284018259689
Energy: 0.9798320386466399
Energy: 0.9252344811693115
Energy: 0.6870461963431459
Energy: 0.9252344811819381
Energy: 0.6870461963498232
Energy: 0.9252344811606309
Energy: 0.6870461963431459
Energy: 0.779163404478372
Energy: 0.658389527496768
Energy: 0.7791330465636505
Energy: 0.6583895274907584
Energy: 0.7791634044663526
Energy: 0.6583895274894229
Energy: 0.7287032939185805
Energy: 0.8054099817937063
Energy: 0.7287032939332708
Energy: 0.8054099818070611
Energy: 0.7287032939038901
Energy: 0.8054099817943742
Energy: 0.674869465104951
Energy: 0.8177322881755836
Energy: 0.674869465115635
Energy: 0.8177322881669029
Energy: 0.674869465115635
Energy: 0.8177322881862675
Energy: 0.8213896107386572
Energy: 0.6387778481236859
Energy: 0.8213896107239669
Energy: 0.6387778481096632
Energy: 0.8213896107259699
Energy: 0.638777848110331
Energy: 0.7725074111817916
Energy: 0.6424146142196244
Energy: 0.7725074111851302
Energy: 0.6424146142109436
Energy: 0.7725074111837947
Energy: 0.642414614215618
Energy: 0.6459900769480925
Energy: 0.9927301231326356
Energy: 0.6459843640565279
Energy: 0.9927301231232871
Energy: 0.6459900769354053
Energy: 0.9927301231266259
Energy: 0.7057672269714425
Energy: 1.0134797392768464
Energy: 0.7057672269928102
Energy: 1.0134797392828563
Energy: 0.7057672269888039
Energy: 1.0134797392881982
Energy: 0.7749143097576846
Energy: 0.5994187335952504
Energy: 0.7749143097690362
Energy: 0.5994187336112762
Energy: 0.7749143097737106
Energy: 0.5994187336139472
Energy: 0.8821412983251458
Energy: 0.6907495892579784
Energy: 0.8818360649032733
Energy: 0.6907495892806818
Energy: 0.8821412983264206
Energy: 0.6907495892619848
Energy: 0.8787776153944716
Energy: 0.9753626933529389
Energy: 0.8788265312320792
Energy: 0.9753626933329065
Energy: 0.8787776153918009
Energy: 0.9753626933355775
Energy: 0.7982272818811355
Energy: 0.7789698576642269
Energy: 0.798227281893155
Energy: 0.7789698576475332
Energy: 0.7982272818777968
Energy: 0.7789698576548785
Energy: 0.6976736493591897
Energy: 0.819171831241027
Energy: 0.6402217178619383
Energy: 0.8191718312583883
Energy: 0.6976736493538479
Energy: 0.8191718312490398
Energy: 0.7446194018881436
Energy: 0.7756986032966972
Energy: 0.7446194018754564
Energy: 0.7756986032686518
Energy: 0.7446194018981598
Energy: 0.7756986032820067
Energy: 1.0100625574338775
Energy: 0.9750329040813663
Energy: 1.0100625574472326
Energy: 0.9750329040786956
Energy: 1.0100625574445614
Energy: 0.975032904080031
Energy: 0.9066224979123625
Energy: 0.6846495671102268
Energy: 0.9066224979116947
Energy: 0.6846495670988751
Energy: 0.9066224979003431
Energy: 0.6846495671008784
Energy: 0.7747254870005246
Energy: 0.7375798686842786
Energy: 0.7748219009452093
Energy: 0.7375798686916237
Energy: 0.7747254870051988
Energy: 0.7375798686916237
Energy: 0.6466095263205731
Energy: 0.8062713592463184
Energy: 0.6466095261610428
Energy: 0.8062713592436475
Energy: 0.6466095263165667
Energy: 0.8062713592429797
Energy: 0.7752893082128764
Energy: 0.8173951377504034
Energy: 0.7752893082202216
Energy: 0.8173951377463968
Energy: 0.7752893082268991
Energy: 0.8173951377450615
Energy: 0.8193356638852665
Energy: 0.6844092957531902
Energy: 0.8193356638939472
Energy: 0.684409295758532
Energy: 0.8193356638992891
Energy: 0.6844092957344933
Energy: 0.77445408476719
Energy: 0.6967932367838303
Energy: 0.774454084761848
Energy: 0.6967932367778207
Energy: 0.774454084759177
Energy: 0.6967932367771529
Energy: 0.6466642468084055
Energy: 0.955772289113593
Energy: 0.6466647457492394
Energy: 0.9557722891149287
Energy: 0.6466642468117443
Energy: 0.9557722891175996
Energy: 1.0690576475971043
Energy: 0.9997883830604068
Energy: 1.0690576475964366
Energy: 0.9997883830530616
Energy: 1.0690576475977722
Energy: 0.9997883830397069

minimum gb energy = 0.5994187335952504 eV
minimum distance =  2.24529060007674 Angstroms
sigma value = 41


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

Energy: 0.7717177559761139
Energy: 0.7126221002857932
Energy: 0.7144591992148512
Energy: 0.7126221002852668
Energy: 0.7717177559771665
Energy: 0.7126221002910562
Energy: 0.8621837727835874
Energy: 0.9171900437962283
Energy: 0.8621837727777981
Energy: 0.9171900437993861
Energy: 0.8621837727804296
Energy: 0.9171900438004386
Energy: 1.0579426197127682
Energy: 1.039795276919686
Energy: 1.0579426197169786
Energy: 1.0397952769107393
Energy: 1.0579426197122417
Energy: 1.0397952769128445
Energy: 0.8673434844253758
Energy: 0.6955485121386283
Energy: 0.8673434844237969
Energy: 0.6955485121275761
Energy: 0.8673434844280072
Energy: 0.6955485121344179
Energy: 0.6863480561687898
Energy: 0.7245894667311066
Energy: 0.6863374366617251
Energy: 0.7245894667200542
Energy: 0.6863480561719477
Energy: 0.7245894667332117
Energy: 0.815790590607572
Energy: 0.915935996524985
Energy: 0.8157905906044142
Energy: 0.9159359965207747
Energy: 0.8157905905975722
Energy: 0.9159359965176169
Energy: 0.692389896110012
Energy: 0.8359621522219454
Energy: 0.6923898961158013
Energy: 0.835962152231921
Energy: 0.6923898961052753
Energy: 0.8359621522366578
Energy: 0.7243330808406967
Energy: 0.6955896367940771
Energy: 0.7243734392864928
Energy: 0.6955896367861827
Energy: 0.724333080841223
Energy: 0.6955896367856564
Energy: 0.6479780109406369
Energy: 0.7476433265920008
Energy: 0.6479780109464262
Energy: 0.7476433265951347
Energy: 0.6479780109385316
Energy: 0.7476433265940821
Energy: 0.6770839148148148
Energy: 0.9829971441059303
Energy: 0.6770839148037625
Energy: 0.9829971441054042
Energy: 0.6770839147932367
Energy: 0.9829971441043515
Energy: 0.6775544317314214
Energy: 0.9579176804705501
Energy: 0.6775544317293162
Energy: 0.9579176804794973
Energy: 0.6775544317382393
Energy: 0.9579176804805498
Energy: 0.6755414160292635
Energy: 0.7621841698542737
Energy: 0.6755414160276848
Energy: 0.8432963138055419
Energy: 0.6755414160334741
Energy: 0.7621841698542737
Energy: 0.6804173313045959
Energy: 0.7106184382886622
Energy: 0.680417331303017
Energy: 0.7106184382975853
Energy: 0.68041733130828
Energy: 0.7106184382949777
Energy: 0.6652134802838703
Energy: 0.8875237502026395
Energy: 0.6652130906682208
Energy: 0.887523750201587
Energy: 0.6652134802917647
Energy: 0.8875237502021133
Energy: 0.7886896388024046
Energy: 1.0161724446641394
Energy: 0.7886896388002996
Energy: 1.0161724446694025
Energy: 0.7886896387976681
Energy: 1.016172444670455
Energy: 0.664429024519144
Energy: 0.8520336906980187
Energy: 0.6644290245186176
Energy: 0.8520336906990714
Energy: 0.6644290245270383
Energy: 0.7724702319730888
Energy: 0.7328740076385106
Energy: 0.7105672752727349
Energy: 0.7331831959829125
Energy: 0.7105672752701034
Energy: 0.7328740076395632
Energy: 0.7105672752695771
Energy: 0.9149248610027392
Energy: 1.088614868304322
Energy: 0.9149873244406758
Energy: 1.0886148683101113
Energy: 0.9149248610069496
Energy: 1.0886148683064272
Energy: 0.8133946781341787
Energy: 0.9053678868706841
Energy: 0.8133946781373366
Energy: 0.9053678868664975
Energy: 0.8133946781394417
Energy: 0.9053678868733155
Energy: 0.7338798307084965
Energy: 0.8055809039129
Energy: 0.6767412723654848
Energy: 0.805580903909216
Energy: 0.7338798307116304
Energy: 0.8055809039113211
Energy: 0.6982832465746099
Energy: 0.9150899422400852
Energy: 0.6982832465761889
Energy: 0.9150899422432431
Energy: 0.698283246579873
Energy: 0.9150899422469272
Energy: 0.8146666881895916
Energy: 1.0327678000731284
Energy: 0.8146666881906441
Energy: 1.0327678000762863
Energy: 0.8146666881827499
Energy: 1.0327678000731284
Energy: 0.8688291342190771
Energy: 0.6906954695585987
Energy: 0.8688291342164456
Energy: 0.690695469564388
Energy: 0.8688291342180244
Energy: 0.6906954695617564
Energy: 0.6642748507872511
Energy: 0.8335768570604113
Energy: 0.6644209032155516
Energy: 0.8335768570630426
Energy: 0.6642748507767252
Energy: 0.833576857059885
Energy: 0.6704502237952712
Energy: 0.9133819404471086
Energy: 0.6704502237952712
Energy: 0.9133819404439509
Energy: 0.6704502237968502
Energy: 0.9133819404486876
Energy: 0.692538922033588
Energy: 0.8487797668695516
Energy: 0.692538922026746
Energy: 0.8487797668669202
Energy: 0.6925389220283249
Energy: 0.8487797668679726
Energy: 0.7274213339054701
Energy: 0.6905828162227446
Energy: 0.7274110406198266
Energy: 0.690582816221692
Energy: 0.7274213339159962
Energy: 0.6905828162190605
Energy: 0.6488988815461484
Energy: 0.8620874451183214
Energy: 0.6488988815461484
Energy: 0.8620874451199001
Energy: 0.648898881545622
Energy: 0.8620874451199001
Energy: 0.6765722126708427
Energy: 0.9338316871191517
Energy: 0.6765722126718952
Energy: 0.9338316871123098
Energy: 0.6765722126761056
Energy: 0.9338316871186252
Energy: 0.9269087169816798
Energy: 0.8265483389800917
Energy: 0.9269087169706514
Energy: 0.8265483389853547
Energy: 0.9269087169785458
Energy: 0.8265483389811443
Energy: 0.6793954483218956
Energy: 0.7589417313974176
Energy: 0.6793954483203166
Energy: 0.7589417313868917
Energy: 0.6793954483292637
Energy: 0.7589417314142591
Energy: 0.6977364046348861
Energy: 0.7083411155215175
Energy: 0.6977364046285706
Energy: 0.7083411155262541
Energy: 0.6977364046401491
Energy: 0.708341115529412
Energy: 0.6701536309290953
Energy: 0.8213882052328296
Energy: 0.670141698983133
Energy: 0.8213882052328296
Energy: 0.6701536309264636
Energy: 0.8213882052307244

minimum gb energy = 0.6479780109385316 eV
minimum distance =  2.41991114099865 Angstroms
sigma value = 33


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

Energy: 0.766437456000224
Energy: 0.7275361228982401
Energy: 0.7333104569005551
Energy: 0.7275361228915916
Energy: 0.7664374559987466
Energy: 0.7275361228997176
Energy: 0.9572945813036482
Energy: 0.7036801654499163
Energy: 0.9572945812925674
Energy: 0.7036801654388355
Energy: 0.9572945813018013
Energy: 0.7036801654428985
Energy: 0.9337866671674602
Energy: 1.0078376154438036
Energy: 0.9337866671622891
Energy: 1.007837615426108
Energy: 0.9337866671656134
Energy: 1.0078376154183515
Energy: 0.9547143476852706
Energy: 0.7092002528478404
Energy: 0.954714347680469
Energy: 0.7092002528541195
Energy: 0.9547143476904418
Energy: 0.7092002528456243
Energy: 0.7224207923640379
Energy: 1.0926699712178212
Energy: 0.7226174029411749
Energy: 1.0926699712012335
Energy: 0.7224207923540652
Energy: 1.092669971210837
Energy: 0.9102653740780404
Energy: 0.6932704725524602
Energy: 0.9102653740791485
Energy: 0.6932704725550457
Energy: 0.910265374077671
Energy: 0.693270472550244
Energy: 0.7240759692730214
Energy: 0.8241451090966139
Energy: 0.7240759692656342
Energy: 0.8241451090925844
Energy: 0.7240759692700665
Energy: 0.8241451090918457
Energy: 0.7809287767661979
Energy: 0.7257854892833365
Energy: 0.7809287767754317
Energy: 0.7257854892741025
Energy: 0.7809287767687831
Energy: 0.7257854892759493
Energy: 1.0654828498281772
Energy: 0.740847381808987
Energy: 1.065492666626563
Energy: 0.7408473818027079
Energy: 1.0654828498480893
Energy: 0.7408473818034466
Energy: 0.9409725664720144
Energy: 0.718813837995242
Energy: 0.9409725664712756
Energy: 0.7188138379712337
Energy: 0.9409725664782936
Energy: 0.7188138379778821
Energy: 0.749335106524592
Energy: 0.7142090994610317
Energy: 0.7493351065290242
Energy: 0.7142090994536446
Energy: 0.749335106520529
Energy: 0.7142090994610317
Energy: 1.0949873086153636
Energy: 0.7091642937701839
Energy: 1.0949873086164716
Energy: 0.7091642937698144
Energy: 1.0949873086212734
Energy: 0.7091642937753212
Energy: 0.707188902788985
Energy: 1.0850227419729888
Energy: 0.7071889027779042
Energy: 1.0850227419810812
Energy: 0.7071889027860302
Energy: 1.0850227419821892
Energy: 0.7340967084973857
Energy: 0.7516470113293743
Energy: 0.7340967084992325
Energy: 0.7516470113182935
Energy: 0.7340967084999712
Energy: 0.7516470113592923
Energy: 0.7268626111793367
Energy: 0.68942489479303
Energy: 0.7268626111896788
Energy: 0.6894248947893363
Energy: 0.7268626111863545
Energy: 0.6894248947963542
Energy: 0.7296297649206885
Energy: 0.8973781306637192
Energy: 0.7296297649177337
Energy: 0.8973781306552239
Energy: 0.7296297649181029
Energy: 0.8973781306518996
Energy: 1.0799858037473156
Energy: 0.7236471482622624
Energy: 1.079985803748054
Energy: 0.7236471482692802
Energy: 1.0799858037391896
Energy: 0.7236471482641093
Energy: 0.706586002584365
Energy: 0.7350033410168497
Energy: 0.7065861824991189
Energy: 0.7350033410061382
Energy: 0.7065860025725454
Energy: 0.735003341006877
Energy: 0.9210481502157012
Energy: 0.9458455400262866
Energy: 0.9210481502293674
Energy: 0.9458455400188994
Energy: 0.9210481502319531
Energy: 0.9458455400115123
Energy: 1.0682200401935673
Energy: 0.7070790251363873
Energy: 1.0682200402068642
Energy: 0.7070790251363873
Energy: 1.0682200402072337
Energy: 0.7070790251374953
Energy: 0.7032045913094114
Energy: 0.7335564922531129
Energy: 0.7032045913175038
Energy: 0.7335564922616082
Energy: 0.7032045913211974
Energy: 0.7335564922616082
Energy: 0.7019828949870514
Energy: 0.7784289726141013
Energy: 0.7019850975259463
Energy: 0.7784289726244433
Energy: 0.7019828950021952
Energy: 0.7784289731324477
Energy: 0.8899739103269455
Energy: 0.8988409573649226
Energy: 0.8899739103036758
Energy: 0.8988409573623372
Energy: 0.8899739103110629
Energy: 0.8988409573756341
Energy: 0.7128253668598513
Energy: 0.9537495781000299
Energy: 0.712825366854311
Energy: 0.9537495781007687
Energy: 0.7128253668646529
Energy: 0.9537495781003993
Energy: 0.8940849073958893
Energy: 0.7236967489780562
Energy: 0.8940849073947812
Energy: 0.7236967489618045
Energy: 0.8940849073947812
Energy: 0.7236967489618045
Energy: 0.690411011203064
Energy: 0.9077046754291203
Energy: 0.6904110112015867
Energy: 0.9077046754250573
Energy: 0.6904110112049107
Energy: 0.9077046754265348
Energy: 0.7437005312185446
Energy: 0.7264841577558556
Energy: 0.743700531217806
Energy: 0.7264841577529344
Energy: 0.743700531221869
Energy: 0.7264841577481328
Energy: 0.7483045355376646
Energy: 0.7116579599336098
Energy: 0.7146370706384572
Energy: 0.7116579599431796
Energy: 0.7483045355372953
Energy: 0.7116579599453957
Energy: 0.7422492539971007
Energy: 1.085317005355418
Energy: 0.7422492540030106
Energy: 1.0853170053557872
Energy: 0.7422492540033798
Energy: 1.0853170053546792
Energy: 0.7166791325814551
Energy: 0.9397425804653999
Energy: 0.7166791325785002
Energy: 0.9397425804720485
Energy: 0.716679132590689
Energy: 0.9397425804805437
Energy: 0.6986633841041429
Energy: 0.7051762828953204
Energy: 0.6986633841004493
Energy: 0.7051762828931042
Energy: 0.69866338410008
Energy: 0.7051762828953204
Energy: 0.7128452477869641
Energy: 1.0976121009251605
Energy: 0.7128438948035769
Energy: 1.0976121009273765
Energy: 0.7128452477965675
Energy: 1.0976121009170345
Energy: 1.0847779007051783
Energy: 0.6895740056444845
Energy: 1.0847779006922507
Energy: 0.6895740056378359
Energy: 1.0847779007048088
Energy: 0.6895740056411602
Energy: 0.7487632495823584
Energy: 0.7298894429943472
Energy: 0.7487632495959912
Energy: 0.7298894429928698
Energy: 0.7487632495867572
Energy: 0.7298894429939777
Energy: 0.7575524845674064
Energy: 0.7299021319254728
Energy: 0.7575524845685143
Energy: 0.7299021319162389
Energy: 0.7575524845655595
Energy: 0.7299021319203018
Energy: 0.8941031901749654
Energy: 0.7405713383286077
Energy: 0.8941900079953903
Energy: 0.7405713383359948
Energy: 0.8941031901723799
Energy: 0.7405713383359948
Energy: 0.7132134015418178
Energy: 1.0748229206369502
Energy: 0.713213401541079
Energy: 1.0748229206380584
Energy: 0.7132134015399709
Energy: 1.0748229206484003
Energy: 0.7321452756227206
Energy: 0.7051977235268093
Energy: 0.7321452756260449
Energy: 0.705197723520161
Energy: 0.7321452756157028
Energy: 0.705197723516098
Energy: 0.7479421684599528
Energy: 0.9229019158168734
Energy: 0.7479411953652091
Energy: 0.9229019157961894
Energy: 0.7479421684610608
Energy: 0.9229019158046846
Energy: 0.708992887136768
Energy: 0.8953228214413423
Energy: 0.7089928871482183
Energy: 0.8953228214339549
Energy: 0.7089928871515424
Energy: 0.8953228214490988
Energy: 0.7149159757339162
Energy: 0.7106440464458117
Energy: 0.7149159757427808
Energy: 0.7106440464395327
Energy: 0.7149159757294838
Energy: 0.7106440464458117
Energy: 0.7774332341577611
Energy: 0.6932641487710072
Energy: 0.7774332341817695
Energy: 0.693264148782088
Energy: 0.7774332341396625
Energy: 0.6932641487684216
Energy: 0.7234385702365119
Energy: 0.8909215255408474
Energy: 0.7234385702416493
Energy: 0.8909215255301359
Energy: 0.723438570225431
Energy: 0.8909215255360456
Energy: 1.067708650450109
Energy: 0.7229164212755078
Energy: 1.0677086504294246
Energy: 0.7229164212784627
Energy: 1.0677086504161615
Energy: 0.72291642126849
Energy: 0.7131609714384439
Energy: 0.7298967683323846
Energy: 0.7131612978095765
Energy: 0.7298967684372157
Energy: 0.7131609714476779
Energy: 0.7298967683840616
Energy: 0.8497538690780104
Energy: 0.8903614067193579
Energy: 0.8497538690702539
Energy: 0.8903614067212046
Energy: 0.849753869069146
Energy: 0.8903614067182497
Energy: 0.7019093584129558
Energy: 0.9199183207829101
Energy: 0.7019093584074154
Energy: 0.919918320836803
Energy: 0.7019093584059379
Energy: 0.9199183207640729

minimum gb energy = 0.6894248947893363 eV
minimum distance =  2.34682489860637 Angstroms
sigma value = 67


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

Energy: 0.78957049372717
Energy: 0.7370487290256179
Energy: 0.7895704937449547
Energy: 0.7370487290088431
Energy: 0.7895704937242245
Energy: 0.7370487290071319
Energy: 0.7747939901056242
Energy: 0.6935944218041773
Energy: 0.7747939900940388
Energy: 0.6935944218002221
Energy: 0.7747939901029033
Energy: 0.6935944218044298
Energy: 0.6933183050843296
Energy: 0.8551784292511229
Energy: 0.6933183050144809
Energy: 0.8551784292506459
Energy: 0.6933183047884685
Energy: 0.855178429255078
Energy: 0.774797593080074
Energy: 0.693639493145413
Energy: 0.7747975930726684
Energy: 0.6936394931579801
Energy: 0.7747975930850111
Energy: 0.6936394931402233
Energy: 0.78957049372717
Energy: 0.7370487290110591
Energy: 0.7895704937175483
Energy: 0.7370487290157718
Energy: 0.7895704937291618
Energy: 0.7370487290236543
Energy: 0.774793990106606
Energy: 0.6935944217915821
Energy: 0.7747939901268595
Energy: 0.6935944218115829
Energy: 0.7747939900987235
Energy: 0.6935944217977534
Energy: 0.6933183048516408
Energy: 0.855178429277772
Energy: 0.6933183049041817
Energy: 0.8551784292543487
Energy: 0.693318305029797
Energy: 0.855178429266439

minimum gb energy = 0.6933183047884685 eV
minimum distance =  2.35195311985565 Angstroms
sigma value = 3


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

Energy: 0.9146976549231964
Energy: 0.8846270950821727
Energy: 0.9146976549359006
Energy: 0.8846270950710566
Energy: 0.9146976549127522
Energy: 0.8846270950757594
Energy: 0.8572147082104045
Energy: 0.8065582405352323
Energy: 0.8572147082036861
Energy: 0.8065582405137329
Energy: 0.8572147082086943
Energy: 0.8065582405117174
Energy: 0.9597650543590514
Energy: 0.9615930481685875
Energy: 0.9597650543536765
Energy: 0.9615930481735958
Energy: 0.9597650543563641
Energy: 0.9615930481695647
Energy: 0.974723690443704
Energy: 0.8780055217545673
Energy: 0.9747236904406501
Energy: 0.8780055217609193
Energy: 0.9747236904295952
Energy: 0.8629651995612553
Energy: 0.8665579638245378
Energy: 0.9071884090732026
Energy: 0.8665579638194683
Energy: 0.9071884090752181
Energy: 0.8665579638225223
Energy: 0.9071884090823032
Energy: 0.8733830976460182
Energy: 0.8366886110175171
Energy: 0.8733830976460182
Energy: 0.8366886110098213
Energy: 0.8733830976336194
Energy: 0.8366886110060956
Energy: 0.8643215032112082
Energy: 0.9598760759365174
Energy: 0.8643215031994812
Energy: 0.9598760759331583
Energy: 0.86432150321188
Energy: 0.9598760759257677
Energy: 0.918809703764626
Energy: 0.9278244798876473
Energy: 0.9188097037568691
Energy: 0.9278244798759204
Energy: 0.9188097037501506
Energy: 0.9226463006940016
Energy: 0.8786051789137054
Energy: 0.8964365116156603
Energy: 0.8786051789153543
Energy: 0.89643651160998
Energy: 0.8786051789039327
Energy: 0.8964365116230505
Energy: 0.8835290851315012
Energy: 0.8365665052562493
Energy: 0.8835290851224618
Energy: 0.8365665052495308
Energy: 0.8835290851258211
Energy: 0.836566505262296
Energy: 0.8446297143929059
Energy: 0.9125261138999168
Energy: 0.8446297143949214
Energy: 0.9125261139055969
Energy: 0.8446297143935779
Energy: 0.9125261139069406
Energy: 0.8246437109780975
Energy: 0.921348503847544
Energy: 0.824643710980785
Energy: 0.9213485038582936
Energy: 0.8246437109576366
Energy: 0.9213485038549343
Energy: 0.9192250717860011
Energy: 0.8510275584485816
Energy: 0.919225071790704
Energy: 0.8510275584535898
Energy: 0.919225071783619
Energy: 0.8510275584549336
Energy: 0.8860523717831472
Energy: 0.9474897049304395
Energy: 0.8860523717764287
Energy: 0.9474897049280576
Energy: 0.8860523717794216
Energy: 0.9474897049324551
Energy: 0.9336068824633086
Energy: 0.8812243571213242
Energy: 0.933606882450177
Energy: 0.8812243571253552
Energy: 0.9336068824599494
Energy: 0.8812243571276762
Energy: 0.862821997260112
Energy: 0.9121173896289354
Energy: 0.8628219972812449
Energy: 0.8525826159525268
Energy: 0.8628219972698233
Energy: 0.8796117723037407
Energy: 0.9222186899584298
Energy: 0.8080858565895832
Energy: 0.922218689971195
Energy: 0.8080858565939197
Energy: 0.922218689971195
Energy: 0.8080858565872013
Energy: 0.8937512636987173
Energy: 0.9883925916758215
Energy: 0.8937512637000611
Energy: 0.9883925916754549
Energy: 0.8937512636855856
Energy: 0.9883925916892586
Energy: 0.9335651211161737
Energy: 0.9293146924353339
Energy: 0.9335651211349856
Energy: 0.929314692437655
Energy: 0.933565121123564
Energy: 0.9293146924396705
Energy: 0.8248550479643875
Energy: 0.8858319043571358
Energy: 0.8248550479569969
Energy: 0.8858319043474244
Energy: 0.8248550479559588
Energy: 0.8858319043501119
Energy: 0.921633095177729
Energy: 0.839517648018997
Energy: 0.921633095181088
Energy: 0.8395176480089193
Energy: 0.9216330951854246
Energy: 0.8395176479978032
Energy: 0.848121781941038
Energy: 0.9038571724061257
Energy: 0.8481217819484282
Energy: 0.9038571723926887
Energy: 0.8481217819597887
Energy: 0.9038571724118059
Energy: 0.934271908428702
Energy: 0.8807270070255988
Energy: 0.9342719084213116
Energy: 0.8807270070111846
Energy: 0.9342719084175859
Energy: 0.8807270070208959
Energy: 0.8463656800088013
Energy: 0.8773514485477524
Energy: 0.8463656800154588
Energy: 0.8773514485464086
Energy: 0.8463656800094733
Energy: 0.877351448542744
Energy: 0.9481378397806609
Energy: 0.8393355936991831
Energy: 0.948137839771255
Energy: 0.839335593688067
Energy: 0.9481378397719268
Energy: 0.8393355937072453
Energy: 0.8348763935538309
Energy: 0.8466430285620077
Energy: 0.8348763935605497
Energy: 0.8466430285529681
Energy: 0.8348763935696502
Energy: 0.8466430285422185
Energy: 0.864820416901259
Energy: 0.9070782363068611
Energy: 0.8648204171903393
Energy: 0.9070782362894542
Energy: 0.8648204167968162
Energy: 0.9070782363115643
Energy: 0.8860690042063423
Energy: 0.8505710983900721
Energy: 0.8860690042002956
Energy: 0.8505710983907441
Energy: 0.8860690041915615
Energy: 0.8215226114876099
Energy: 0.8838995910836699
Energy: 0.8080589600184588
Energy: 0.8838995910816543
Energy: 0.8080589600265211
Energy: 0.8838995910765849
Energy: 0.8080589600150996
Energy: 0.862761534073495
Energy: 0.831749340259305
Energy: 0.8627615340690974
Energy: 0.8317493402684055
Energy: 0.8627615340902913
Energy: 0.831749340265718
Energy: 0.9242493046343498
Energy: 0.8316085256401263
Energy: 0.9242493080176221
Energy: 0.8316085256514867
Energy: 0.9242493065962851
Energy: 0.831608525640798
Energy: 0.879482053452283
Energy: 0.8068170776956162
Energy: 0.8794820534462364
Energy: 0.8068170776956162
Energy: 0.8794820534626662
Energy: 0.8068170776942727
Energy: 0.8886540722530787
Energy: 0.8897056274887729
Energy: 0.8886540722399471
Energy: 0.8897056274881009
Energy: 0.8886540722506968
Energy: 0.8897056274941478
Energy: 0.9764547668123043
Energy: 0.907270940406631
Energy: 0.9764547667938589
Energy: 0.9072709403952097
Energy: 0.9764547667847583
Energy: 0.9072709404039437
Energy: 0.8293691900114918
Energy: 0.8450936424718871
Energy: 0.8293691900175386
Energy: 0.8450936424718871
Energy: 0.8293691900132021
Energy: 0.8450936424668788
Energy: 0.897773701207446
Energy: 0.8373697894558276
Energy: 0.8977737012248532
Energy: 0.8373697894551557
Energy: 0.8977737012007275
Energy: 0.8373697894524683
Energy: 0.8496887568469778
Energy: 0.9322283163085349
Energy: 0.8496887568507034
Energy: 0.9322283163068248
Energy: 0.849688756868477
Energy: 0.9322283163213002
Energy: 1.0155542542278755
Energy: 0.8868509302253018
Energy: 1.0155542542308684
Energy: 0.8868509302129032
Energy: 1.015554254221829
Energy: 0.8868509302185834
Energy: 0.8045499563448006
Energy: 0.9023047148106549
Energy: 0.8045499563512138
Energy: 0.9023047148109602
Energy: 0.8045499563400976
Energy: 0.9023047148153578
Energy: 0.8959782532868107
Energy: 0.8373024839909163
Energy: 0.8959782532985378
Energy: 0.8373024839868853
Energy: 0.895978253285467
Energy: 0.8373024839942758
Energy: 0.8250798469769011
Energy: 0.9551881860245364
Energy: 0.825079846958761
Energy: 0.9551881837096946
Energy: 0.8250798469604101
Energy: 0.9551881858223694
Energy: 1.0008908398685505
Energy: 0.8432328584693439
Energy: 1.00089083987362
Energy: 0.843232858467023
Energy: 1.000890839867207
Energy: 0.8432328584576169
Energy: 0.8478253090153657
Energy: 0.9957062562011968
Energy: 0.8478253090076089
Energy: 0.9957062562025405
Energy: 0.8478253090059598
Energy: 0.9957062561948448
Energy: 0.8763197627538544
Energy: 0.8067791844180653
Energy: 0.8763197628263534
Energy: 0.806779184413057
Energy: 0.8763197627195898
Energy: 0.8067791844191036
Energy: 0.8636537694816021
Energy: 0.8863995121662092
Energy: 0.8636537694728681
Energy: 0.8863995121632164
Energy: 0.863653769488626
Energy: 0.886399512153444
Energy: 0.9043765997593048
Energy: 0.8294272857772381
Energy: 0.9043765997703597
Energy: 0.8294272857745507
Energy: 0.9043765997589381
Energy: 0.8294272857805973
Energy: 0.8941634286395734
Energy: 0.9563513526235435
Energy: 0.8941634286157532
Energy: 0.9563513526292848
Energy: 0.8941634286355422
Energy: 0.9563513526195124
Energy: 0.9180604597552539
Energy: 0.849659488871195
Energy: 0.9180604597636215
Energy: 0.8496594888819448
Energy: 0.9180604597589186
Energy: 0.8496594888745544
Energy: 0.8250075924792382
Energy: 0.9058934676676517
Energy: 0.8250075924725195
Energy: 0.9058934676586121
Energy: 0.8250075924671446
Energy: 0.905893467652932
Energy: 0.845788878133684
Energy: 0.8472079251893315
Energy: 0.845788878142418
Energy: 0.8472079252027687
Energy: 0.8457888781333786
Energy: 0.8472079251960501
Energy: 0.8855043278026646
Energy: 0.8366785402638534
Energy: 0.8855043278026646
Energy: 0.8366785402712437
Energy: 0.8855043277862347
Energy: 0.8366785402681898

minimum gb energy = 0.8045499563400976 eV
minimum distance =  2.30091052182238 Angstroms
sigma value = 81


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

Energy: 0.9308675531154683
Energy: 0.8816754121070994
Energy: 0.850542159034954
Energy: 0.8816754121130931
Energy: 0.930867553122384
Energy: 0.8816754121094048
Energy: 0.8613456051212421
Energy: 0.838304841079076
Energy: 0.8613456051138653
Energy: 0.8382595496355166
Energy: 0.8613456051060274
Energy: 0.838304841078615
Energy: 0.8307531940883666
Energy: 0.9122952958270839
Energy: 0.9310315773953138
Energy: 0.9122952958243176
Energy: 0.830753194000808
Energy: 0.912295295828467
Energy: 0.8379718387080964
Energy: 0.8766581760389488
Energy: 0.8379718386763256
Energy: 0.8766581898557289
Energy: 0.8379718386804751
Energy: 0.876658180307357
Energy: 0.867996048634887
Energy: 0.7941218660907413
Energy: 0.8679960486247439
Energy: 0.794121866104112
Energy: 0.8679960486242827
Energy: 0.7941218660995014
Energy: 0.8385548534907626
Energy: 0.8183106155958875
Energy: 0.8385548534635603
Energy: 0.7776573234709306
Energy: 0.838554853502289
Energy: 0.8183106155815948
Energy: 0.7599824874645007
Energy: 0.8191072860313734
Energy: 0.7599824874635785
Energy: 0.777547646650236
Energy: 0.7599824874631176
Energy: 0.8191072860350618
Energy: 0.9102055253199124
Energy: 0.9314377210352267
Energy: 0.910201493294013
Energy: 0.9314377210536688
Energy: 0.9102055253249839
Energy: 0.9314377210568964
Energy: 0.944730025879598
Energy: 0.903016679949313
Energy: 0.9447300266464587
Energy: 0.9030166799442413
Energy: 0.9447300261713201
Energy: 0.903016679948391
Energy: 0.9362897095984554
Energy: 1.109923818638694
Energy: 0.936289709603066
Energy: 1.1099238186350053
Energy: 0.9362897096049102
Energy: 1.109923818630856
Energy: 0.9522566150640971
Energy: 0.8388337751822771
Energy: 0.9522566150617918
Energy: 0.8388337751910372
Energy: 0.9522566150664024
Energy: 0.8388337751938034
Energy: 0.7774708393648407
Energy: 0.8363026741715527
Energy: 0.7774708393689483
Energy: 0.8363026739996628
Energy: 0.7774708393763253
Energy: 0.8363026742296037
Energy: 0.8612632945383238
Energy: 0.8695687029858972
Energy: 0.8612632945240309
Energy: 0.8695405561634809
Energy: 0.8612632945116245
Energy: 0.8695687030052615
Energy: 0.903650258050828
Energy: 0.9128197551422305
Energy: 0.903650258059127
Energy: 0.9128197551426918
Energy: 0.9036502580618933
Energy: 0.9128197551362368
Energy: 0.9116706510969245
Energy: 0.847967910722214
Energy: 0.9116706510913919
Energy: 0.847967910722214
Energy: 0.9116706510895475
Energy: 0.8479679107268245
Energy: 0.910179816709303
Energy: 0.7795829789969388
Energy: 0.9101798167106862
Energy: 0.7795829789881787
Energy: 0.9101798167180631
Energy: 0.7795829789918671
Energy: 0.8844796206756527
Energy: 0.7777070940032683
Energy: 0.8844796206608989
Energy: 0.8180390280221471
Energy: 0.8844796206687368
Energy: 0.7777070940069567
Energy: 0.8277952577229314
Energy: 0.9248852620394341
Energy: 0.8277880701588002
Energy: 0.9248852620339014
Energy: 0.8277952577270808
Energy: 0.9248852620256026
Energy: 0.9140761315785765
Energy: 0.8459404333537689
Energy: 0.9140761315859534
Energy: 0.8358971173373271
Energy: 0.9140761315799596
Energy: 0.8459404333081246
Energy: 0.9410513602834707
Energy: 0.964186494567326
Energy: 0.9410513603102119
Energy: 0.9641864945645596
Energy: 0.9410513603323007
Energy: 0.964186494568248
Energy: 0.7933614840846338
Energy: 0.8695997330211597
Energy: 0.7933614841514449
Energy: 0.8695997330017955
Energy: 0.7933614841344276
Energy: 0.8695997329981071
Energy: 0.8589721096269269
Energy: 0.8403512590335103
Energy: 0.7777762549707993
Energy: 0.840351259023828
Energy: 0.85897210963707
Energy: 0.8403512590247502
Energy: 0.8587927772294085
Energy: 0.7606272927406996
Energy: 0.7776219053422766
Energy: 0.7606272927347059
Energy: 0.8587927772132716
Energy: 0.7606272927393165
Energy: 0.9342796613025872
Energy: 0.9233670795035422
Energy: 0.9342796612938271
Energy: 0.9235290453457831
Energy: 0.9342796613030483
Energy: 0.9233670795035422
Energy: 0.9031984124794924
Energy: 0.8692527923650447
Energy: 0.9031984124836419
Energy: 0.8692527923622785
Energy: 0.9031984124896356
Energy: 0.8692527923991629
Energy: 0.9141046131444663
Energy: 1.0808086685679952
Energy: 0.9141046131559928
Energy: 1.0808086685878209
Energy: 0.9141046131334011
Energy: 1.0808086685749112
Energy: 0.8276361740746049
Energy: 0.8423791179864282
Energy: 0.8276361740824428
Energy: 0.8423791180615381
Energy: 0.8276361740755269
Energy: 0.8423791179960683
Energy: 0.8821399562579458
Energy: 0.818111995796005
Energy: 0.8821399562533354
Energy: 0.7776347703538306
Energy: 0.8821399562491857
Energy: 0.818111995795544
Energy: 0.8372834127885261
Energy: 0.861495186127885
Energy: 0.8371785025523081
Energy: 0.8614951861168196
Energy: 0.8372834128009746
Energy: 0.8614951861122092
Energy: 0.9119284370636608
Energy: 0.8023450953134523
Energy: 0.9119284370525954
Energy: 0.8024360382299952
Energy: 0.9119284370678102
Energy: 0.8023450953212903
Energy: 0.8835634140084445
Energy: 0.9127583548627851
Energy: 0.8835634140075225
Energy: 0.9127583548660124
Energy: 0.8835634141499048
Energy: 0.9127583548720062
Energy: 0.778810129128349
Energy: 0.9232770867176503
Energy: 0.7788101291195889
Energy: 0.9232770867158481
Energy: 0.7788101291172838
Energy: 0.9232770867098542
Energy: 0.7774895282848727
Energy: 0.8384537682193255
Energy: 0.777489528287639
Energy: 0.8384537682174814
Energy: 0.7774895282977823
Energy: 0.8384537682308518
Energy: 0.9141613983426751
Energy: 0.8906353270173534
Energy: 0.9141613983417529
Energy: 0.8906353270035217
Energy: 0.9141613983449802
Energy: 0.8906353270025996
Energy: 0.8979807989761538
Energy: 1.1178368683872564
Energy: 0.8985904762817399
Energy: 1.1178368683808015
Energy: 0.8979808008771687
Energy: 1.1178368683632816
Energy: 0.9661335369426651
Energy: 0.8731489651257095
Energy: 0.9661335369292944
Energy: 0.873148965237243
Energy: 0.9661335369366713
Energy: 0.8731489652639421
Energy: 0.8371049313484495
Energy: 0.8510581158731687
Energy: 0.837104931353521
Energy: 0.8510581158621032
Energy: 0.837104931352599
Energy: 0.8510581158487328
Energy: 0.839757857148421
Energy: 0.7775142804525644
Energy: 0.8397578571506844
Energy: 0.8181844027580135
Energy: 0.8397578571493013
Energy: 0.7775142804502593

minimum gb energy = 0.7599824874631176 eV
minimum distance =  2.37466061762029 Angstroms
sigma value = 43


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

Energy: 0.9998416091593185
Energy: 0.8866248350440772
Energy: 0.9998416091570533
Energy: 0.8866248350486078
Energy: 0.9998416091542215
Energy: 0.8866248350395467
Energy: 0.9121590003379759
Energy: 0.8172792834126832
Energy: 0.9121590003425064
Energy: 0.8172792834098516
Energy: 0.9121590003402411
Energy: 0.8172792834132496
Energy: 0.9635221704514495
Energy: 1.014954620643574
Energy: 0.8511641874210599
Energy: 1.0149546206503701
Energy: 0.963522170459378
Energy: 1.0149546206554667
Energy: 0.9366859988118617
Energy: 0.8555823339354596
Energy: 0.9366859988056577
Energy: 0.8555823339303628
Energy: 0.9366859988220555
Energy: 0.8555823339303628
Energy: 0.8930819594227764
Energy: 0.8961023340114511
Energy: 0.8930819594341028
Energy: 0.8961023340114511
Energy: 0.8930819594335364
Energy: 0.8961023340159816
Energy: 0.8531324796951142
Energy: 0.8682154224189678
Energy: 0.8531324796990785
Energy: 0.868215422414437
Energy: 0.8531324796928488
Energy: 0.8682154224116055
Energy: 0.9204034747544432
Energy: 0.9404609399834891
Energy: 0.9204034747482135
Energy: 0.9404609399812238
Energy: 0.9204034747572748
Energy: 0.9404609399902593
Energy: 0.8471105934157708
Energy: 0.8931581962657287
Energy: 0.8471105934061433
Energy: 0.8931581962685602
Energy: 0.8471105934163372
Energy: 0.8931581962679941
Energy: 0.9674335577882514
Energy: 0.8173890094450608
Energy: 0.9674335577916493
Energy: 0.8173890094371322
Energy: 0.9674335577848535
Energy: 0.8173890094422291
Energy: 0.853585468877913
Energy: 0.9605717914034705
Energy: 0.8535854688801783
Energy: 0.9605717914153631
Energy: 0.8535854688648875
Energy: 0.9605717914068684
Energy: 0.9845774908206809
Energy: 0.8676139986228162
Energy: 0.9845774908274767
Energy: 0.8676139986250814
Energy: 0.9845774908325736
Energy: 0.8676139986120818
Energy: 0.8476408417991352
Energy: 0.8197622356773845
Energy: 0.8476408417963037
Energy: 0.8198371376925462
Energy: 0.847640841795171
Energy: 0.8196499534672071
Energy: 0.9238248922919613
Energy: 0.8658342876985939
Energy: 0.9238248923032621
Energy: 0.8658342876974613
Energy: 0.923824892289696
Energy: 0.8658342876923903
Energy: 0.8007076960103409
Energy: 0.995154308506736
Energy: 0.800707696000147
Energy: 0.9951543085135321
Energy: 0.8007076960035449
Energy: 0.9951543085027975
Energy: 0.9051568639339747
Energy: 0.898167203245415
Energy: 0.9051568639351074
Energy: 0.8981672032584405
Energy: 0.9051568639339747
Energy: 0.8981672032505119
Energy: 0.8696772260590524
Energy: 0.9186198482650967
Energy: 0.86967722606868
Energy: 0.9186198482690612
Energy: 0.8696772260567871
Energy: 0.9186198482718928
Energy: 0.9055295281918113
Energy: 0.8174309867845535
Energy: 0.9055295282302953
Energy: 0.8174309867885179
Energy: 0.9055295282308617
Energy: 0.8174309867907832
Energy: 0.958995366363388
Energy: 0.877407536479083
Energy: 0.9589953663532199
Energy: 0.8774075364773841
Energy: 0.958995366363388
Energy: 0.8774075364773841
Energy: 0.9214646237856214
Energy: 0.8426667660300531
Energy: 0.921464623755632
Energy: 0.8426667660226906
Energy: 0.9214646237714633
Energy: 0.8426667660260886
Energy: 0.9057682548581989
Energy: 0.8905492570696277
Energy: 0.9057682548468723
Energy: 0.8905492570752912
Energy: 0.9057682548400765
Energy: 0.8905492570656636
Energy: 0.870356452749145
Energy: 0.882268722964481
Energy: 0.8703564527417829
Energy: 0.8822687229588179
Energy: 0.8703564527451807
Energy: 0.8822687229707107
Energy: 0.9253625433510658
Energy: 0.9107188288621767
Energy: 0.925362543161991
Energy: 0.910718828864442
Energy: 0.9253625433810552
Energy: 0.9107188288514166
Energy: 0.8007130627072498
Energy: 0.9506140581381557
Energy: 0.8007130627117804
Energy: 0.9506140581268293
Energy: 0.8007130627123469
Energy: 0.950614058124564
Energy: 0.923755955371675
Energy: 0.8683234594020283
Energy: 0.9237559553739404
Energy: 0.8683234593974979
Energy: 0.9237559553677108
Energy: 0.8683234593969315
Energy: 0.8477349025294706
Energy: 0.8704297753147656
Energy: 0.8477349025362665
Energy: 0.8704297753192962
Energy: 0.8477349025300369
Energy: 0.8704297753147656
Energy: 0.9940570898050861
Energy: 0.882369882669287
Energy: 0.9940570898096168
Energy: 0.8823698826755165
Energy: 0.9940570898056525
Energy: 0.8823698826760827
Energy: 0.8532484664863182
Energy: 0.9133677987260442
Energy: 0.8532484664732928
Energy: 0.9133677987209473
Energy: 0.8532484664885837
Energy: 0.9133677987277432
Energy: 0.9090579701335934
Energy: 0.8143516505409921
Energy: 0.9090579701279301
Energy: 0.8143516505438236
Energy: 0.9090579701239658
Energy: 0.8143516505517523
Energy: 0.8476727674139513
Energy: 0.8902647560091437
Energy: 0.8476727674281094
Energy: 0.8902647560097101
Energy: 0.847672767425844
Energy: 0.8902647560097101
Energy: 0.9016107480369584
Energy: 0.8948634121824587
Energy: 0.9016107480414889
Energy: 0.8948634121807596
Energy: 0.9016107480720447
Energy: 0.8948634121733975
Energy: 0.8455224291748651
Energy: 0.8665708185642617
Energy: 0.8455224291816612
Energy: 0.8665708185693586
Energy: 0.8455224291692276
Energy: 0.8665708185591647

minimum gb energy = 0.800707696000147 eV
minimum distance =  2.2987381736223 Angstroms
sigma value = 57


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

Energy: 0.9512637432335087
Energy: 0.8470072583603203
Energy: 0.895393932674615
Energy: 0.847007258367653
Energy: 0.9512637432467076
Energy: 0.8470072583669197
Energy: 0.9215721819656275
Energy: 0.8183915294772495
Energy: 0.9215721819700271
Energy: 0.8183915294669837
Energy: 0.9215721819714937
Energy: 0.8183915294779828
Energy: 0.9432553507193373
Energy: 0.9607314224193219
Energy: 0.9206104156750857
Energy: 0.9607314224185886
Energy: 0.9432553507296031
Energy: 0.9607314224163889
Energy: 1.0412731357400336
Energy: 0.9107989473810723
Energy: 1.0412731357393001
Energy: 0.910798947372273
Energy: 1.041273135733434
Energy: 0.9107989473818056
Energy: 0.966454667755502
Energy: 0.9269432493421637
Energy: 0.9664546677657679
Energy: 0.9269432493421637
Energy: 0.9664546677599017
Energy: 0.926943249342897
Energy: 0.9301346986338088
Energy: 0.8145590446174521
Energy: 0.9301346986250095
Energy: 0.8145590446152522
Energy: 0.9301346986250095
Energy: 0.8145590446167188
Energy: 0.9517588929298011
Energy: 0.9755523903579295
Energy: 0.9517588929210018
Energy: 0.975552390359396
Energy: 0.9517588929415334
Energy: 0.9755523903674621
Energy: 0.8933081541159806
Energy: 0.8503162777010598
Energy: 0.8933081541284462
Energy: 0.8503162776973934
Energy: 0.8933081541350123
Energy: 0.8503162777083926
Energy: 0.9565797381144582
Energy: 0.8178761149617135
Energy: 0.9565797381049257
Energy: 0.8178761149646466
Energy: 0.9565797381144582
Energy: 0.8178761149580472
Energy: 0.8107250270592915
Energy: 0.8663305561850773
Energy: 0.810686435717764
Energy: 0.8663305561777445
Energy: 0.8107250270585582
Energy: 0.8663305561784778
Energy: 0.8747546009760364
Energy: 0.9400686929244162
Energy: 0.874754600969437
Energy: 0.9400686929214832
Energy: 0.8747546009753031
Energy: 0.9400686929266161
Energy: 0.8819718838885503
Energy: 0.9289852515153447
Energy: 0.8819718838973495
Energy: 0.92898524718513
Energy: 0.8819718838995493
Energy: 0.9289852312575465
Energy: 0.9101890198431404
Energy: 0.8180380895236349
Energy: 0.910189019822609
Energy: 0.8180380895134024
Energy: 0.9101890198372742
Energy: 0.8180380895170355
Energy: 0.9506111057130215
Energy: 0.8242512747180532
Energy: 0.8637791913445341
Energy: 0.8242512747224527
Energy: 0.9506111057130215
Energy: 0.8242512747246526
Energy: 0.9170127516883994
Energy: 0.8203131321982227
Energy: 0.8341174931492877
Energy: 0.8203131321974894
Energy: 0.9170127516861994
Energy: 0.8203131321945561
Energy: 0.9750806562361166
Energy: 0.8805025598165709
Energy: 0.9750806562529484
Energy: 0.8805025598334028
Energy: 0.9750806562368499
Energy: 0.8805025598202373
Energy: 0.810186843547209
Energy: 0.860696676991573
Energy: 0.8101731876514652
Energy: 0.860696676991573
Energy: 0.8101868435457424
Energy: 0.8606966770033053
Energy: 0.8777815526403371
Energy: 0.9074551379528255
Energy: 0.8777815526440036
Energy: 0.9074551379484259
Energy: 0.8777815526388707
Energy: 0.9074551379520922
Energy: 0.8098562175144125
Energy: 0.8607642320466822
Energy: 0.809856217523945
Energy: 0.8607642320444823
Energy: 0.8098562175019469
Energy: 0.8607642320598808
Energy: 0.9179097798399227
Energy: 0.8805242419040099
Energy: 0.9179097798501552
Energy: 0.8805242419076762
Energy: 0.9179097798494219
Energy: 0.8805242419062098
Energy: 0.8340041519516203
Energy: 0.8234319874772745
Energy: 0.8340041519435544
Energy: 0.8234319874736082
Energy: 0.834004151945021
Energy: 0.8234319874699418
Energy: 0.9521082691664031
Energy: 0.9005854630059668
Energy: 0.9521082691642032
Energy: 0.9005854630052335
Energy: 0.9521082691693361
Energy: 0.9005854630037669
Energy: 0.9467792225014193
Energy: 0.8193086452331098
Energy: 0.947104204942369
Energy: 0.81930864523091
Energy: 0.9467792209431913
Energy: 0.8193086452331098
Energy: 0.9305054864025437
Energy: 0.8890877783344033
Energy: 0.9305299653548568
Energy: 0.9090650493857294
Energy: 0.9305054863974108
Energy: 0.8891894489219416

minimum gb energy = 0.8098562175019469 eV
minimum distance =  2.20771415181169 Angstroms
sigma value = 17


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

Energy: 0.9186551938415182
Energy: 0.8124525848284383
Energy: 0.8334656721031043
Energy: 0.8124525848263644
Energy: 0.9186551938404812
Energy: 0.8124525848367342
Energy: 0.8073543341228941
Energy: 0.8945059162283591
Energy: 0.7260832253923654
Energy: 0.8945059162262851
Energy: 0.807354334124968
Energy: 0.8945059162262851
Energy: 0.9432094587158928
Energy: 0.8392951183013719
Energy: 0.9324546772766517
Energy: 0.8392951182889279
Energy: 0.9432094587241887
Energy: 0.8392951182982609
Energy: 0.7423159489843384
Energy: 0.9210232354731365
Energy: 0.7421504055289603
Energy: 0.9210232354710624
Energy: 0.7423159489895234
Energy: 0.9210232354720995
Energy: 0.8946540642815407
Energy: 0.8000724112475647
Energy: 0.8946540642836148
Energy: 0.8000724112475647
Energy: 0.8946540642867257
Energy: 0.8000724112361578
Energy: 0.7773918198103008
Energy: 0.8201222414425059
Energy: 0.7773918198040787
Energy: 0.8201222414528758
Energy: 0.7773918198082268
Energy: 0.8201222414508019
Energy: 0.7905393982640352
Energy: 0.7644432415818555
Energy: 0.7905393982702572
Energy: 0.7644432415839295
Energy: 0.7905393982609242
Energy: 0.7644432415984239
Energy: 0.742124965943706
Energy: 0.8217540104250064
Energy: 0.742124965950965
Energy: 0.8217540104301915
Energy: 0.7421249659405951
Energy: 0.8217540104177475
Energy: 0.8878614348692497
Energy: 0.7822925984851616
Energy: 0.8878614348671757
Energy: 0.7822925984841247
Energy: 0.8878614348702868
Energy: 0.7822925984872121
Energy: 0.8144860833233907
Energy: 0.8094213956010476
Energy: 0.8144860833275386
Energy: 0.8094213956031217
Energy: 0.8144860833213167
Energy: 0.8094213955896407
Energy: 0.8429659938759568
Energy: 0.8710315364002384
Energy: 0.7583994546662931
Energy: 0.8710315364033495
Energy: 0.8429659938852663
Energy: 0.8710315363981644
Energy: 0.8818878726439562
Energy: 0.7822135447448111
Energy: 0.7509267682609965
Energy: 0.782213544740663
Energy: 0.8818878726408451
Energy: 0.782213544740663
Energy: 0.7425330553610383
Energy: 0.8212978422604116
Energy: 0.7425938969985773
Energy: 0.8212978422604116
Energy: 0.7425330553496312
Energy: 0.8212978422718185
Energy: 0.7693035467316806
Energy: 0.9290676773496274
Energy: 0.7693035467358286
Energy: 0.9290676773568863
Energy: 0.7693035467368655
Energy: 0.9290676773610343
Energy: 0.825378633560613
Energy: 0.9616361760208404
Energy: 0.8253786335575022
Energy: 0.9616361760239515
Energy: 0.825378633555428
Energy: 0.9616361760322474
Energy: 0.7768549733424797
Energy: 0.717708545251792
Energy: 0.7768549733487018
Energy: 0.7177085452466069
Energy: 0.7768549733569976
Energy: 0.7177085452569533
Energy: 0.7679337673695545
Energy: 0.8913410946846273
Energy: 0.7679337673726655
Energy: 0.8913410946794423
Energy: 0.7679337673726655
Energy: 0.8913410946825532

minimum gb energy = 0.7177085452466069 eV
minimum distance =  2.32550816280516 Angstroms
sigma value = 17


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

Energy: 0.7462874536709285
Energy: 0.6748829554558632
Energy: 0.7462874536629195
Energy: 0.6748829554546618
Energy: 0.7462874536681254
Energy: 0.6748829554474536
Energy: 0.6826700556561263
Energy: 0.6614995703895357
Energy: 0.6826700556469157
Energy: 0.6614995703863321
Energy: 0.6826700556517212
Energy: 0.6614995703883343
Energy: 0.8002026708349212
Energy: 0.7287192273269193
Energy: 0.800202670835722
Energy: 0.7287192273261184
Energy: 0.8002026708377243
Energy: 0.7287192273273199
Energy: 0.6324014979518748
Energy: 0.7291703493287698
Energy: 0.6324014979502731
Energy: 0.7291703493319733
Energy: 0.6324014979522753
Energy: 0.7291703493339757
Energy: 0.7757030461372035
Energy: 0.6540486915465655
Energy: 0.7757030461412081
Energy: 0.654048691546966
Energy: 0.7757030461456131
Energy: 0.654048691551371
Energy: 0.7389879520270602
Energy: 0.6617192561889759
Energy: 0.73898795201785
Energy: 0.6617192561849713
Energy: 0.7389879520222549
Energy: 0.6617192561881751
Energy: 0.6841633263803055
Energy: 0.6903995596458719
Energy: 0.6841633263730975
Energy: 0.6903995596534804
Energy: 0.6841633263750997
Energy: 0.6903995596570844
Energy: 0.7498976352254757
Energy: 0.8497656152495688
Energy: 0.7498976352202698
Energy: 0.8497656152627838
Energy: 0.7498976352270775
Energy: 0.8497656152635849
Energy: 0.7155226897338061
Energy: 0.7172926002866072
Energy: 0.7155226897414148
Energy: 0.7172926002906117
Energy: 0.7155226897326048
Energy: 0.7172926002902111
Energy: 0.6848155826360559
Energy: 0.6243078661427816
Energy: 0.6848155826420628
Energy: 0.6243078661483877
Energy: 0.6848155826484699
Energy: 0.6243078661447837
Energy: 0.632375466230777
Energy: 0.826463889893713
Energy: 0.6323754662291752
Energy: 0.8264638898901089
Energy: 0.6323754662247703
Energy: 0.8264638898953147
Energy: 0.7705861199765554
Energy: 0.6662693313427315
Energy: 0.7705861199621392
Energy: 0.66626933135034
Energy: 0.7705861199633405
Energy: 0.6662693313499396
Energy: 0.6872684053063313
Energy: 0.6685240330063515
Energy: 0.6872684052983221
Energy: 0.6685240330099554
Energy: 0.6872684053155416
Energy: 0.6685240330007451
Energy: 0.6954805488733343
Energy: 0.7536671053187247
Energy: 0.695480548867728
Energy: 0.7536671053226928
Energy: 0.6954805488657256
Energy: 0.7536671053282992
Energy: 0.7328509742479858
Energy: 0.666318360346558
Energy: 0.7328509742628025
Energy: 0.6663183603509629
Energy: 0.7328509742539926
Energy: 0.6663183603397503
Energy: 0.6326171023656163
Energy: 0.8208715108056793
Energy: 0.6326171023576074
Energy: 0.820871510805279
Energy: 0.6326171023648155
Energy: 0.7902856715289832
Energy: 0.6943041971207917
Energy: 0.7287564523962309
Energy: 0.6943041971167871
Energy: 0.7287564523890226
Energy: 0.6943041971243957
Energy: 0.7287564523950295
Energy: 0.7404400590100533
Energy: 0.8516925037312051
Energy: 0.7404400590128565
Energy: 0.8516925037376123
Energy: 0.7404400590156596
Energy: 0.8516925037388136
Energy: 0.700404071493885
Energy: 0.7924034471870536
Energy: 0.7004040714966882
Energy: 0.7924034471850513
Energy: 0.7004040714870773
Energy: 0.7924034471794449
Energy: 0.6936375590198824
Energy: 0.7007195789151828
Energy: 0.6936375590314955
Energy: 0.7007195789107779
Energy: 0.6936375590206834
Energy: 0.7007195789219904
Energy: 0.7004191163114537
Energy: 0.7921596332502407
Energy: 0.7004191162994402
Energy: 0.7921596332446346
Energy: 0.7004191163082502
Energy: 0.7921596332502407
Energy: 0.7378671282758034
Energy: 0.8518194430043343
Energy: 0.7378671282601859
Energy: 0.8518194430131442
Energy: 0.7378671282730003
Energy: 0.8518194430003299
Energy: 0.6943087751563536
Energy: 0.7290851799662947
Energy: 0.6943087751563536
Energy: 0.729085179967496
Energy: 0.6943087751491818
Energy: 0.7290851799686974
Energy: 0.6326613900854543
Energy: 0.84447730074381
Energy: 0.6326613900926625
Energy: 0.8444773007426087
Energy: 0.6326613900898592
Energy: 0.8444773007513822
Energy: 0.732659519795746
Energy: 0.6662549995537816
Energy: 0.7326595197985492
Energy: 0.6662549995406032
Energy: 0.7326595197865357
Energy: 0.6662549995758064
Energy: 0.6953260484023412
Energy: 0.7536176195534185
Energy: 0.6953260484335765
Energy: 0.7536176195558212
Energy: 0.695326048399538
Energy: 0.7536176195486131
Energy: 0.6870064534830876
Energy: 0.6686294808601719
Energy: 0.6870064534790832
Energy: 0.6686294808617737
Energy: 0.6870064534858907
Energy: 0.6686294808609727
Energy: 0.7706008808131619
Energy: 0.6660956110925482
Energy: 0.7706008808227727
Energy: 0.6660956110869419
Energy: 0.7706008808223721
Energy: 0.6660956110769307
Energy: 0.6324495771708102
Energy: 0.8264742480674333
Energy: 0.6324495771664052
Energy: 0.8264742480634288
Energy: 0.632449577164403
Energy: 0.8264742480678338
Energy: 0.6849489510225928
Energy: 0.7416156812300634
Energy: 0.6849489510229932
Energy: 0.7416156812352693
Energy: 0.6849489510290001
Energy: 0.7416156812372715
Energy: 0.7154571692342547
Energy: 0.7172851345153601
Energy: 0.7154571692254449
Energy: 0.717285134511756
Energy: 0.7154571692434653
Energy: 0.7172851345185637
Energy: 0.7497093201365392
Energy: 0.8497628548021005
Energy: 0.7497093201357385
Energy: 0.8497628548008991
Energy: 0.7497093201345371
Energy: 0.8497628548041027
Energy: 0.6846113565618285
Energy: 0.6903178733516427
Energy: 0.6846113565638309
Energy: 0.690317873341231
Energy: 0.6846113565654327
Energy: 0.6903178733388283
Energy: 0.738997373088575
Energy: 0.6658548336352422
Energy: 0.7389973730897764
Energy: 0.6658548336444525
Energy: 0.7389973730809665
Energy: 0.6658548336476562
Energy: 0.7757731170814688
Energy: 0.6538331800083208
Energy: 0.7757731170862742
Energy: 0.6538331800127257
Energy: 0.775773117087876
Energy: 0.653833180030746
Energy: 0.6328214915973678
Energy: 0.7291532890402201
Energy: 0.6328214915401397
Energy: 0.7291532890386183
Energy: 0.632821491594965
Energy: 0.7291532890370165
Energy: 0.8001255137957375
Energy: 0.7286953710565989
Energy: 0.8001255137957375
Energy: 0.7286953710598024
Energy: 0.8001255137905315
Energy: 0.7286953710561984
Energy: 0.6843476084738745
Energy: 0.6654330213957218
Energy: 0.6843476084710713
Energy: 0.6654330214025296
Energy: 0.6843476084710713
Energy: 0.6654330214013282
Energy: 0.7462874536617181
Energy: 0.6748829554678767
Energy: 0.7462874536689263
Energy: 0.6748829554574649
Energy: 0.7462874536657227
Energy: 0.6748829554586663
Energy: 0.6826700556465154
Energy: 0.6614995703883343
Energy: 0.6826700556565266
Energy: 0.6614995703843298
Energy: 0.6826700556521217
Energy: 0.6614995703919384
Energy: 0.800202670840928
Energy: 0.7287192273265188
Energy: 0.8002026708425298
Energy: 0.728719227320949
Energy: 0.8002026708277131
Energy: 0.7287192273253176
Energy: 0.6324014979470695
Energy: 0.751972062401182
Energy: 0.6324014979482708
Energy: 0.7519720623955758
Energy: 0.6324014979570444
Energy: 0.7519720623979784
Energy: 0.7757030461428098
Energy: 0.654048691558579
Energy: 0.7757030461400067
Energy: 0.6540486915361537
Energy: 0.7757030461460135
Energy: 0.6540486915521719

minimum gb energy = 0.6243078661427816 eV
minimum distance =  2.34874863859395 Angstroms
sigma value = 57


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

Energy: 0.7244400038376251
Energy: 0.6581194150181661
Energy: 0.6821600058024466
Energy: 0.658119415014254
Energy: 0.7244400038434934
Energy: 0.6581194150122978
Energy: 0.7456814544686767
Energy: 0.6760041686899689
Energy: 0.7017112837589865
Energy: 0.6760041686756243
Energy: 0.7456814544725889
Energy: 0.6760041686717121
Energy: 0.7839559634761737
Energy: 0.7098032223334899
Energy: 0.7000650368696334
Energy: 0.7098032223145809
Energy: 0.7839559634729135
Energy: 0.7098032223230574
Energy: 0.6256319491910233
Energy: 0.6801453155321103
Energy: 0.6258444853310785
Energy: 0.6801453155497151
Energy: 0.6256319491923273
Energy: 0.6801453155373265
Energy: 0.7035104169901293
Energy: 0.6671353839526405
Energy: 0.7035104169744806
Energy: 0.6671353839552485
Energy: 0.7035104169770886
Energy: 0.6671353839552485
Energy: 0.7102102108500995
Energy: 0.6104843118747262
Energy: 0.7105218995155209
Energy: 0.6104843118845067
Energy: 0.7102102108553158
Energy: 0.6104843118832025
Energy: 0.6839514986318166
Energy: 0.7071136870515679
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Energy: 0.7071136870320069
Energy: 0.6839514986213842
Energy: 0.7071136870437436
Energy: 0.827218293016426
Energy: 0.7802693050707672
Energy: 0.8272182930020814
Energy: 0.7802693050629428
Energy: 0.8272182930092538
Energy: 0.7802693050772875
Energy: 0.6267517696157484
Energy: 0.6117331310719686
Energy: 0.6267517696092282
Energy: 0.6117331310824011
Energy: 0.6267517696085761
Energy: 0.6117331310758808
Energy: 0.6245790707460872
Energy: 0.6641159330266935
Energy: 0.6245790707317426
Energy: 0.6641159330279975
Energy: 0.6245790707389149
Energy: 0.6641159329973519
Energy: 0.79213094941899
Energy: 0.7853336156622702
Energy: 0.7921309493955171
Energy: 0.7853336156720507
Energy: 0.7921309494098617
Energy: 0.7853336156727029
Energy: 0.6862637501638161
Energy: 0.7051470420583426
Energy: 0.6862637501788129
Energy: 0.7051470420550825
Energy: 0.6862637501762048
Energy: 0.7051470420602987
Energy: 0.6232177967449362
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Energy: 0.7237788501503098
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Energy: 0.7237788501385732
Energy: 0.6587561863482934
Energy: 0.7237788501457456
Energy: 0.7391359514283331
Energy: 0.7178361686472301
Energy: 0.7391359514420257
Energy: 0.7178361686491862
Energy: 0.7391359514368094
Energy: 0.7178361686530984
Energy: 0.7262918492960156
Energy: 0.7427589458814502
Energy: 0.7262918492744987
Energy: 0.7427589458873184
Energy: 0.7262918492960156
Energy: 0.7427589458873184
Energy: 0.6814548037241374
Energy: 0.7292544858930728
Energy: 0.639475400203786
Energy: 0.7292544859028532
Energy: 0.681454803736526
Energy: 0.7292544859015492
Energy: 0.7833521122609379
Energy: 0.6573249473505971
Energy: 0.7048558729859341
Energy: 0.6573249473434247
Energy: 0.7833521122661542
Energy: 0.6573249473649418
Energy: 0.645999026359733
Energy: 0.7393379181378898
Energy: 0.6459559058797765
Energy: 0.7393379181378898
Energy: 0.6459990263642973
Energy: 0.739337918139846
Energy: 0.656930530138115
Energy: 0.6774086351400307
Energy: 0.6566425429663371
Energy: 0.6774086351316136
Energy: 0.6569305301446352
Energy: 0.6774086351335697
Energy: 0.7126946633152871
Energy: 0.8134539587782935
Energy: 0.7126946633257196
Energy: 0.8134539587782935
Energy: 0.7126946633120269
Energy: 0.813453958788726
Energy: 0.6554514320168245
Energy: 0.7416366515883945
Energy: 0.6552570047486085
Energy: 0.7416366515688336
Energy: 0.655451432006392
Energy: 0.7416366515838303
Energy: 0.6391847901862833
Energy: 0.7182163471663484
Energy: 0.6391847901947597
Energy: 0.7182163471546118
Energy: 0.6391847901778068
Energy: 0.7182163471643922
Energy: 0.6712577630210955
Energy: 0.8503565098784172
Energy: 0.6712577630191394
Energy: 0.8503565098895016
Energy: 0.6712577630263118
Energy: 0.8503565098881977
Energy: 0.6430233953244782
Energy: 0.8155035672753482
Energy: 0.6430233953244782
Energy: 0.8155035672707841
Energy: 0.6430233953192619
Energy: 0.815503567268176
Energy: 0.6213191756010903
Energy: 0.6859861876947227
Energy: 0.6213191756082034
Energy: 0.6859861876868982
Energy: 0.6213191756075513
Energy: 0.6859861876888544
Energy: 0.6220743313221223
Energy: 0.7393880199913968
Energy: 0.6220743313410312
Energy: 0.7393880199790082
Energy: 0.6220743313358149
Energy: 0.7393880199900926

minimum gb energy = 0.6104843118747262 eV
minimum distance =  2.31581494512418 Angstroms
sigma value = 43


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

Energy: 0.7509210404939569
Energy: 0.5542888633395473
Energy: 0.7509210404977575
Energy: 0.5542888633404975
Energy: 0.7509210404972824
Energy: 0.5542888633395473
Energy: 0.6054731007966242
Energy: 0.6418831481894549
Energy: 0.6054731007847475
Energy: 0.6418831481889798
Energy: 0.6054731007880728
Energy: 0.6418831481951559
Energy: 0.6061334705075725
Energy: 0.6421406827369545
Energy: 0.606133470504247
Energy: 0.6421406827284031
Energy: 0.6061334705061472
Energy: 0.6421406827331538
Energy: 0.6294637083369623
Energy: 0.5848877123039571
Energy: 0.6294637083687921
Energy: 0.5848877123049071
Energy: 0.62946370838827
Energy: 0.5848877123039571
Energy: 0.6039029140662975
Energy: 0.535731153897677
Energy: 0.6039029140620219
Energy: 0.5357311539005274
Energy: 0.603902914055371
Energy: 0.5357311539010025
Energy: 0.5757482229237185
Energy: 0.60898290546018
Energy: 0.5757482229241937
Energy: 0.6089829054677813
Energy: 0.5757482229213432
Energy: 0.608982905466356
Energy: 0.6121901600119644
Energy: 0.5723561812099678
Energy: 0.612190160090308
Energy: 0.5723561812066422
Energy: 0.6121901600081637
Energy: 0.5723561811957156
Energy: 0.7285700808818263
Energy: 0.5930761756615466
Energy: 0.7285700808789759
Energy: 0.5930761756686725
Energy: 0.7285700808756503
Energy: 0.5930761756696228
Energy: 0.5536156728219666
Energy: 0.6013222344370585
Energy: 0.553615672818166
Energy: 0.6013222344370585
Energy: 0.5536156728167408
Energy: 0.6013222344370585
Energy: 0.6121373139474815
Energy: 0.5458904733125509
Energy: 0.6121373139436809
Energy: 0.545890473319677
Energy: 0.612137313944631
Energy: 0.5458904733206271
Energy: 0.6145777381454776
Energy: 0.5991263532743843
Energy: 0.614577738134551
Energy: 0.5991263532805603
Energy: 0.6145777381393017
Energy: 0.5991263532815104
Energy: 0.5231840991821405
Energy: 0.6004505753560203
Energy: 0.5231840991902167
Energy: 0.6004505753517447
Energy: 0.5231840991878414
Energy: 0.6004505753574456
Energy: 0.6120665337381257
Energy: 0.5180323101430101
Energy: 0.6120665337362254
Energy: 0.5180323101377843
Energy: 0.6120665337376506
Energy: 0.5180323101320833
Energy: 0.610417681558453
Energy: 0.5993902204960213
Energy: 0.6104176815594031
Energy: 0.5993902204926959
Energy: 0.610417681566011
Energy: 0.5993902204907956
Energy: 0.544536778252128
Energy: 0.6004283398651001
Energy: 0.544536778245477
Energy: 0.6004283398746016
Energy: 0.5445367782435767
Energy: 0.6004283398660503
Energy: 0.6279803813177955
Energy: 0.6039163727672159
Energy: 0.6279803813025931
Energy: 0.6039163727691161
Energy: 0.6279803812973674
Energy: 0.6039163727643655
Energy: 0.6124492816531864
Energy: 0.5938274744683281
Energy: 0.6124492816498609
Energy: 0.5938274744721287
Energy: 0.612449281651761
Energy: 0.5938274744678531
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Energy: 0.6002947936941762
Energy: 0.5609121835041386
Energy: 0.6002947936894254
Energy: 0.5609121835055637
Energy: 0.6002947936989269
Energy: 0.6078369399595672
Energy: 0.6093677496745279
Energy: 0.6078369399624177
Energy: 0.6093677496769032
Energy: 0.6078369399457902
Energy: 0.6093677496759532
Energy: 0.6285096580425994
Energy: 0.5952058632809444
Energy: 0.6285096580444998
Energy: 0.5952058632761936
Energy: 0.6285096580421243
Energy: 0.5952058632690674
Energy: 0.6015116844811346
Energy: 0.622149064828571
Energy: 0.6015116844830347
Energy: 0.6221490648181194
Energy: 0.6015116844801843
Energy: 0.6221490648252456
Energy: 0.6485993483020092
Energy: 0.5526956900416982
Energy: 0.6485993482872819
Energy: 0.5526956900393228
Energy: 0.6485993482996338
Energy: 0.5526956900492993
Energy: 0.6585398763205889
Energy: 0.6026104171791923
Energy: 0.6585398763224892
Energy: 0.6026104171877437
Energy: 0.6585398763267648
Energy: 0.6026104171815676
Energy: 0.6325299721205233
Energy: 0.5472173634915053
Energy: 0.6325299721110218
Energy: 0.5472173634729776
Energy: 0.6325299721171979
Energy: 0.5472173634777281
Energy: 0.6116543877003918
Energy: 0.5257937072979983
Energy: 0.6116543876970664
Energy: 0.5257937073084499
Energy: 0.6116543876899403
Energy: 0.5257937073098753
Energy: 0.6109827054578847
Energy: 0.584964807898531
Energy: 0.6109827054441076
Energy: 0.5849648079032818
Energy: 0.6109827054555093
Energy: 0.5849648079085076
Energy: 0.5816802208116951
Energy: 0.6860758978226199
Energy: 0.5816802208050441
Energy: 0.6860758978197694
Energy: 0.5924073257435141
Energy: 0.68607589782452
Energy: 0.5900309429716154
Energy: 0.5893040821417445
Energy: 0.5900309429654393
Energy: 0.5893040821493457
Energy: 0.5900309429621139
Energy: 0.5893040821483955
Energy: 0.5314285715171977
Energy: 0.5556301465494375
Energy: 0.5314285715176728
Energy: 0.5556301465484873
Energy: 0.5314285715247988
Energy: 0.5556301465437367
Energy: 0.5428927689156419
Energy: 0.6545071549945036
Energy: 0.5428927689175423
Energy: 0.6545071549997294
Energy: 0.5428927689241932
Energy: 0.6545071549973541
Energy: 0.5606731488113181
Energy: 0.730071963879424
Energy: 0.508800612895128
Energy: 0.7300719638894004
Energy: 0.5088006129027293
Energy: 0.7300719638775236
Energy: 0.5324931754508172
Energy: 0.5409432078435356
Energy: 0.5324931754622191
Energy: 0.5409432078440105
Energy: 0.532493175462694
Energy: 0.5409432078468609
Energy: 0.5221599949429456
Energy: 0.5931525215488492
Energy: 0.5221599949543474
Energy: 0.5931525215536001
Energy: 0.5221599949543474
Energy: 0.5931525215593009
Energy: 0.6157787931649463
Energy: 0.661989901707689
Energy: 0.6157787931663715
Energy: 0.6619899017057886
Energy: 0.6157787931720724
Energy: 0.6619899017138648
Energy: 0.5340701753594796
Energy: 0.5199042568658508
Energy: 0.5340701753518785
Energy: 0.5199042568815283
Energy: 0.5340701753566293
Energy: 0.5199042568744021
Energy: 0.48113900803474097
Energy: 0.5922836401716629
Energy: 0.48113900803711634
Energy: 0.5922836401678622
Energy: 0.48113900803426596
Energy: 0.5922836401702376

minimum gb energy = 0.48113900803426596 eV
minimum distance =  2.32157911599317 Angstroms
sigma value = 81


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

Energy: 0.03205294699474922
Energy: 0.0644856501806909
Energy: 0.032052946990920955
Energy: 0.0644856501893987
Energy: 0.03205294698917543
Energy: 0.0644856501864432
Energy: 0.6242789727652515
Energy: 0.03255110750950555
Energy: 0.6242789727663025
Energy: 0.032549024698002575
Energy: 0.624278972754441
Energy: 0.03255117236280607
Energy: 0.6242790998327739
Energy: 0.03339957422398262
Energy: 0.6242790998468968
Energy: 0.033392090177190734
Energy: 0.6242790998271802
Energy: 0.033390909290262345
Energy: 0.0320529470057381
Energy: 0.06448565018084958
Energy: 0.032052947004706664
Energy: 0.06448565019288974
Energy: 0.03205294700383389
Energy: 0.06448565017702132
Energy: 0.6242789727650728
Energy: 0.03254780739007237
Energy: 0.6242789727605502
Energy: 0.032541720048391225
Energy: 0.6242789727694367
Energy: 0.03255139382316731
Energy: 0.6242790998306713
Energy: 0.03339746077288236
Energy: 0.624279099829977
Energy: 0.03340016513510928
Energy: 0.6242790998425328
Energy: 0.03340247024778208
Energy: 0.032052946996673264
Energy: 0.06448565019532952
Energy: 0.032052947002425565
Energy: 0.06448565018418194
Energy: 0.03205294699125816
Energy: 0.06448565020092314
Energy: 0.624278972768921
Energy: 0.03254572856533385
Energy: 0.6242789727624545
Energy: 0.032551474861690965
Energy: 0.6242789727619388
Energy: 0.032549473659756925
Energy: 0.624279099835035
Energy: 0.0334030832008916
Energy: 0.6242790998498721
Energy: 0.033396530213607244
Energy: 0.6242790998526688
Energy: 0.03339601206962489
Energy: 0.03205294699841879
Energy: 0.0644856502016174
Energy: 0.032052946994927736
Energy: 0.06448565019044998
Energy: 0.032052947002425565
Energy: 0.06448565018574895

minimum gb energy = 0.03205294698917543 eV
minimum distance =  2.54888302512717 Angstroms
sigma value = 3


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

Energy: 0.5931254061075867
Energy: 0.5136403732429646
Energy: 0.5931254060611209
Energy: 0.5136403732487106
Energy: 0.5931254060517186
Energy: 0.5136403732424424
Energy: 0.5285065617300221
Energy: 0.5303465043651866
Energy: 0.5285065617331564
Energy: 0.5303465043662313
Energy: 0.5285065617331564
Energy: 0.5303465043724995
Energy: 0.5704177563739105
Energy: 0.537871393981818
Energy: 0.5430336808189877
Energy: 0.5378713939812958
Energy: 0.5430336808143104
Energy: 0.5378713939891311
Energy: 0.5326286610753383
Energy: 0.5382965565203541
Energy: 0.5326286610675031
Energy: 0.5382965565229659
Energy: 0.5326286610638465
Energy: 0.5382965565198319
Energy: 0.46589835703689814
Energy: 0.6083667253209779
Energy: 0.46589835703480875
Energy: 0.6083667253256791
Energy: 0.465898357032197
Energy: 0.608366725322545
Energy: 0.5451023603512195
Energy: 0.5338647132233142
Energy: 0.5451023603663678
Energy: 0.5338647132175683
Energy: 0.5451023603418171
Energy: 0.5338647132133894
Energy: 0.5515940021826765
Energy: 0.5964614948699709
Energy: 0.551594002193646
Energy: 0.5964614948621356
Energy: 0.551594002193646
Energy: 0.5964614948694487
Energy: 0.4660441270492151
Energy: 0.6023607098037764
Energy: 0.4660441270513045
Energy: 0.6023607098095223
Energy: 0.4660441270560057
Energy: 0.602360709816313
Energy: 0.5456773597781218
Energy: 0.5549744556359769
Energy: 0.5456773597749879
Energy: 0.5549744556412005
Energy: 0.545677359770809
Energy: 0.5549744556260523
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Energy: 0.5650353424784603
Energy: 0.5122642108837852
Energy: 0.5650353424748039
Energy: 0.5122642109756956
Energy: 0.5650353424737592
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Energy: 0.6014139500572844
Energy: 0.5015040307749532
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Energy: 0.5533927976921267
Energy: 0.576927649046868
Energy: 0.5533927976947385
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Energy: 0.5582279766606997
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Energy: 0.5363730285745621
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Energy: 0.5229760237131023
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Energy: 0.5229760237167588
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Energy: 0.5513232263882029
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Energy: 0.517755994476625
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Energy: 0.6344157734646556
Energy: 0.5081068616322272
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Energy: 0.6344157734620439
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Energy: 0.5454458995734054
Energy: 0.5482559928237981
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Energy: 0.5482559928264098
Energy: 0.5454458995692266
Energy: 0.5639409113079112
Energy: 0.5336044957681735
Energy: 0.5639409113068665
Energy: 0.5336044957707853
Energy: 0.5639409112990311
Energy: 0.5336044957822769
Energy: 0.5530142436850546
Energy: 0.5470276800488315
Energy: 0.5530142436876664
Energy: 0.5470276800357727
Energy: 0.5530142436887112
Energy: 0.5470276800425632

minimum gb energy = 0.4656680237728585 eV
minimum distance =  2.36858337359014 Angstroms
sigma value = 67


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

Energy: 0.7330234944874976
Energy: 0.6870328525910177
Energy: 0.7330234944927077
Energy: 0.6870328525962277
Energy: 0.7330234944845204
Energy: 0.6870328525939948
Energy: 0.6584383873535734
Energy: 0.669369864357071
Energy: 0.6584383873617606
Energy: 0.6693698643652582
Energy: 0.6584383873602722
Energy: 0.6693698643637698
Energy: 0.6906595074445682
Energy: 0.6779534963341629
Energy: 0.6906595074423352
Energy: 0.677953496344583
Energy: 0.6906595074423352
Energy: 0.6779534963438387
Energy: 0.6923149176719282
Energy: 0.667009033032593
Energy: 0.692314917674161
Energy: 0.6670090330251839
Energy: 0.6923149176801154
Energy: 0.6670090330385474
Energy: 0.5967356803262831
Energy: 0.643729894405467
Energy: 0.5967356803329479
Energy: 0.6437298944099327
Energy: 0.596735680343368
Energy: 0.6437298944121657
Energy: 0.6902646093539485
Energy: 0.6772614771372476
Energy: 0.6902646093427841
Energy: 0.677261477143202
Energy: 0.6902646093390628
Energy: 0.6772614771454347
Energy: 0.6520115956191311
Energy: 0.7201786952139949
Energy: 0.6520115956198754
Energy: 0.7201786952080405
Energy: 0.652011595618387
Energy: 0.720178695221438
Energy: 0.6527870107692738
Energy: 0.6419027897586372
Energy: 0.6527870107625752
Energy: 0.6419027897668244
Energy: 0.652787010802767
Energy: 0.6419027897586372
Energy: 0.7088988074300642
Energy: 0.7202473560243263
Energy: 0.7088988074322969
Energy: 0.7202473560050084
Energy: 0.7088988074397399
Energy: 0.7202473560176617
Energy: 0.665462755011742
Energy: 0.7381123505453018
Energy: 0.6654627549968899
Energy: 0.7381123505371144
Energy: 0.665462755013975
Energy: 0.7381123505356258
Energy: 0.734620728056877
Energy: 0.6792678036131616
Energy: 0.7346207280509225
Energy: 0.6792678035997642
Energy: 0.734620728059854
Energy: 0.6792678036057186
Energy: 0.6654746682039892
Energy: 0.6798744828057575
Energy: 0.6654746682091992
Energy: 0.6798744827983146
Energy: 0.6654746682017562
Energy: 0.6798744827894169
Energy: 0.6643557676397122
Energy: 0.7780673129011237
Energy: 0.6643557676270591
Energy: 0.7780673129003794
Energy: 0.664355767634502
Energy: 0.7780673129063338
Energy: 0.6714002111723845
Energy: 0.6975682401267006
Energy: 0.6714002111775945
Energy: 0.6975682401319107
Energy: 0.6714002111917362
Energy: 0.6975682401222687
Energy: 0.6618707425768993
Energy: 0.6520891202639711
Energy: 0.6618707425754108
Energy: 0.6520891202639711
Energy: 0.6618707425731778
Energy: 0.6520891202684369
Energy: 0.7156857852664569
Energy: 0.6746988774860586
Energy: 0.7156857852538038
Energy: 0.6746988774838257
Energy: 0.715685785256781
Energy: 0.6746988774830814
Energy: 0.6914021576085694
Energy: 0.6938888371475082
Energy: 0.6914021576085694
Energy: 0.6938888371378324
Energy: 0.691402157602615
Energy: 0.6938888371504854
Energy: 0.6768879154705976
Energy: 0.640949068877455
Energy: 0.6768879154765519
Energy: 0.6409490688789435
Energy: 0.6768879154624441
Energy: 0.6409490688744778
Energy: 0.6762506495079733
Energy: 0.6934852550779637
Energy: 0.6762506495049961
Energy: 0.693485255083918
Energy: 0.6762506494946099
Energy: 0.6934852550846623
Energy: 0.761952938645526
Energy: 0.6788290689873594
Energy: 0.7619529386380832
Energy: 0.6788290689836378
Energy: 0.7619529386544577
Energy: 0.6788290690111429
Energy: 0.707896146984274
Energy: 0.650331085987921
Energy: 0.707896146984274
Energy: 0.6503310860027731
Energy: 0.7078961469902284
Energy: 0.6503310860035173
Energy: 0.7001684011619811
Energy: 0.7255336790486846
Energy: 0.700168401164214
Energy: 0.7255336790464517
Energy: 0.700168401156771
Energy: 0.7255336790449631
Energy: 0.6907641605008243
Energy: 0.677950547732766
Energy: 0.6907641605179431
Energy: 0.677950547732766
Energy: 0.6907641605112446
Energy: 0.6779505477342546

minimum gb energy = 0.5967356803262831 eV
minimum distance =  2.37038489101297 Angstroms
sigma value = 33


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

Energy: 0.8477132808343502
Energy: 0.7744034076065057
Energy: 0.8140891309220852
Energy: 0.7744034076008398
Energy: 0.8477132808338781
Energy: 0.7744034075942294
Energy: 0.7666805144252905
Energy: 0.7982483273138539
Energy: 0.7666805144248183
Energy: 0.7982483273129095
Energy: 0.7666805144120697
Energy: 0.7982483273124374
Energy: 0.7859469800939044
Energy: 0.7996160608291171
Energy: 0.7859469800920158
Energy: 0.7996160608324222
Energy: 0.7859469800910714
Energy: 0.7996160608291171
Energy: 0.7983648806002714
Energy: 0.7761967155847791
Energy: 0.7983648806045208
Energy: 0.7761967155998883
Energy: 0.7983648806106591
Energy: 0.7761967155942224
Energy: 0.7567257481128922
Energy: 0.7554455257985538
Energy: 0.756725748106754
Energy: 0.755445525796193
Energy: 0.756725748115253
Energy: 0.755445525796193
Energy: 0.835885509540718
Energy: 0.7654579703471921
Energy: 0.8358855094397172
Energy: 0.7654579703448312
Energy: 0.8358855095610211
Energy: 0.7654579703424703
Energy: 0.7488352374966785
Energy: 0.7788830289318428
Energy: 0.7488352374877073
Energy: 0.7788830289384532
Energy: 0.7488352374877073
Energy: 0.7788830289318428
Energy: 0.8135589618012246
Energy: 0.7831154169579745
Energy: 0.8135589617974472
Energy: 0.7831154169660013
Energy: 0.813558961801697
Energy: 0.7831154169584467
Energy: 0.7838908442763939
Energy: 0.8368219579642365
Energy: 0.7838954602688762
Energy: 0.8368219579736799
Energy: 0.783890844284893
Energy: 0.8368219579797751
Energy: 0.8111358466712881
Energy: 0.7615367358127334
Energy: 0.8111358466948966
Energy: 0.7857129665638619
Energy: 0.8111358466684552
Energy: 0.7769697517125186
Energy: 0.829075318066011
Energy: 0.803354583211704
Energy: 0.8290764021947947
Energy: 0.8033545832121762
Energy: 0.8290753180664832
Energy: 0.8033545832074545
Energy: 0.735180866150922
Energy: 0.7786913044203769
Energy: 0.735180866147617
Energy: 0.778691304412393
Energy: 0.7351808661471447
Energy: 0.7786913044090877
Energy: 0.8088840116768355
Energy: 0.7904500232703365
Energy: 0.8088840116749468
Energy: 0.7904500232599488
Energy: 0.808884011683918
Energy: 0.7904500232703365
Energy: 0.7746966917846697
Energy: 0.7997195370988857
Energy: 0.7746966917752263
Energy: 0.7997195371045515
Energy: 0.7746966917851417
Energy: 0.7997195371021906
Energy: 0.7590498878221599
Energy: 0.7759198393860491
Energy: 0.7590498878254651
Energy: 0.7759198393959647
Energy: 0.7590498878282981
Energy: 0.7759198393978534
Energy: 0.7910062799150535
Energy: 0.7871724804750326
Energy: 0.7910062799141092
Energy: 0.7871724804665338
Energy: 0.7910062799108041
Energy: 0.7871724804693668
Energy: 0.8696971275760861
Energy: 0.7718426900328645
Energy: 0.8696971275808079
Energy: 0.7718426900271985
Energy: 0.8696971275779748
Energy: 0.7718426900323924
Energy: 0.8024106596334135
Energy: 0.8564349877823326
Energy: 0.8024106596749212
Energy: 0.856434987794137
Energy: 0.8024106596683108
Energy: 0.8564349877936647
Energy: 0.7319135952345169
Energy: 0.805150250337881
Energy: 0.7319135952359335
Energy: 0.8051502503152598
Energy: 0.7319135952288509
Energy: 0.8051502503449633
Energy: 0.853976742097856
Energy: 0.7708828043823578
Energy: 0.8539767421025778
Energy: 0.7708828043814134
Energy: 0.8539767421011614
Energy: 0.7708828043729145
Energy: 0.7967599721823915
Energy: 0.8455090122757374
Energy: 0.7967905824006972
Energy: 0.8455090122762096
Energy: 0.7967599721885295
Energy: 0.8455090122705435
Energy: 0.7632420010998628
Energy: 0.7583006570234982
Energy: 0.7632420011168608
Energy: 0.7583006570220817
Energy: 0.763242001106001
Energy: 0.758300657011694
Energy: 0.8286328012820621
Energy: 0.8036872674017006
Energy: 0.7568175832527063
Energy: 0.8036872673983956
Energy: 0.8286328012749797
Energy: 0.8036872673993397
Energy: 0.8308807656683768
Energy: 0.7747061097008469
Energy: 0.7945614186516898
Energy: 0.7747061096885705
Energy: 0.8308807656622386
Energy: 0.7747061096857375
Energy: 0.7626774527978976
Energy: 0.7714800961768518
Energy: 0.7342302688152944
Energy: 0.7714800961735465
Energy: 0.7626774528007305
Energy: 0.7714800961721301
Energy: 0.805068093191937
Energy: 0.8081502038700057
Energy: 0.8050680932013802
Energy: 0.8081502038685893
Energy: 0.8050680931933534
Energy: 0.8081502038733108
Energy: 0.7349150794990892
Energy: 0.7482357336184492
Energy: 0.7349150795075882
Energy: 0.7482357336198657
Energy: 0.7349150794924788
Energy: 0.7482357336208101
Energy: 0.7996679535462221
Energy: 0.8434288275929573
Energy: 0.7996679535466942
Energy: 0.8249744875286454
Energy: 0.7996679535471666
Energy: 0.8249744875357281
Energy: 0.7897851136699409
Energy: 0.7852024197974368
Energy: 0.7897851137629147
Energy: 0.7852024197875215
Energy: 0.7897851131488834
Energy: 0.7852024197884658
Energy: 0.7314378043655381
Energy: 0.851218016523023
Energy: 0.7314378043542061
Energy: 0.8512180165220785
Energy: 0.7314378043556227
Energy: 0.85121801652019
Energy: 0.8469666724424005
Energy: 0.8236270253732415
Energy: 0.8469666724400398
Energy: 0.8236270253807962
Energy: 0.8469666724409841
Energy: 0.8236270253798518
Energy: 0.7929251993061116
Energy: 0.7709458899564297
Energy: 0.792965314455334
Energy: 0.770945889951708
Energy: 0.7929251993061116
Energy: 0.7709458899535966
Energy: 0.8019831569982617
Energy: 0.9026970757500741
Energy: 0.8019839818168383
Energy: 0.9026970757581009
Energy: 0.8019831570029835
Energy: 0.9026970757562123
Energy: 0.8043056237313495
Energy: 0.7855000115531846
Energy: 0.8043056237389042
Energy: 0.7855000115550734
Energy: 0.8043056237261558
Energy: 0.7855000115517682
Energy: 0.7340740804800674
Energy: 0.8006025207331564
Energy: 0.734074080484274
Energy: 0.8006025207326842
Energy: 0.7340740804833297
Energy: 0.800602520726546
Energy: 0.8087906431418115
Energy: 0.7771443636962715
Energy: 0.8087906431370899
Energy: 0.7771443636976879
Energy: 0.8087906431380343
Energy: 0.777144363694855
Energy: 0.7646256723471069
Energy: 0.7874642270708555
Energy: 0.7646256723381357
Energy: 0.787464227075105
Energy: 0.7646256723367192
Energy: 0.7874642270784101

minimum gb energy = 0.7314378043542061 eV
minimum distance =  2.27284014964653 Angstroms
sigma value = 41


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

Energy: 1.0082648801072573
Energy: 0.9768897171017459
Energy: 0.9256024305974986
Energy: 0.9768897171236617
Energy: 1.0082648801085465
Energy: 0.9768897171262398
Energy: 0.9285211469322797
Energy: 0.9716507751437611
Energy: 0.9285211469219665
Energy: 0.9716507751308696
Energy: 0.9285211469335689
Energy: 0.9716507751450503
Energy: 1.0019976569093694
Energy: 0.9564133491614377
Energy: 1.0019976569157858
Energy: 0.956413349164016
Energy: 1.001997656906791
Energy: 0.956413349171751
Energy: 0.9211111853461988
Energy: 0.9411388836716502
Energy: 0.9211111853551937
Energy: 0.9411388836871202
Energy: 0.9211111853461988
Energy: 0.941138883660077
Energy: 0.9949667325246971
Energy: 0.9348766957393446
Energy: 0.9949667325246971
Energy: 0.9348766957535254
Energy: 0.9949667325272755
Energy: 0.934876695735477
Energy: 1.0155943227270792
Energy: 1.0712902755823313
Energy: 1.0155943227386814
Energy: 1.0712902755733364
Energy: 1.0155943227386814
Energy: 1.0712902755784637
Energy: 0.9220154378429682
Energy: 0.926504495929721
Energy: 0.9220154378352331
Energy: 0.9265044959258536
Energy: 0.9220154378455465
Energy: 0.9265044959387452
Energy: 1.0261712727411088
Energy: 0.9578094194924934
Energy: 1.0261712727475543
Energy: 0.9578094194924934
Energy: 1.0261712727307954
Energy: 0.9578094194821801
Energy: 0.9552985542952053
Energy: 0.8567875613780648
Energy: 0.854646838584596
Energy: 0.8567875613754863
Energy: 0.9552985542990727
Energy: 0.8567875613703299
Energy: 1.0048837279590892
Energy: 0.9794001105364802
Energy: 0.9214793665743116
Energy: 0.9794001105467935
Energy: 1.0048837279758187
Energy: 0.979400110542926
Energy: 0.9327919226096176
Energy: 0.9559693344897437
Energy: 0.9327919226354008
Energy: 0.9559693344897437
Energy: 0.9327919226250874
Energy: 0.9559693344884547
Energy: 0.9071474637903927
Energy: 0.9165524696954467
Energy: 0.9071474637878143
Energy: 0.9165524697031817
Energy: 0.9071474637826575
Energy: 0.9165524697057602
Energy: 0.946381902553561
Energy: 0.9423829153974874
Energy: 0.9463819025381205
Energy: 0.9423829154142171
Energy: 0.9463819025368313
Energy: 0.9423829154103498
Energy: 0.9943272616488527
Energy: 0.9046808153088753
Energy: 0.9943272616540093
Energy: 0.9046808153204777
Energy: 0.9943272616501418
Energy: 0.9046808153075862

minimum gb energy = 0.854646838584596 eV
minimum distance =  2.28444357782415 Angstroms
sigma value = 11


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

Energy: 1.0488975192114125
Energy: 1.058033421218947
Energy: 1.0488975192080148
Energy: 1.058033421214983
Energy: 1.0488975191983871
Energy: 1.0580334212104523
Energy: 1.019520155889934
Energy: 1.022147098895374
Energy: 1.0195201558786076
Energy: 1.0221470988902772
Energy: 1.0195201558842708
Energy: 1.0221470988925425
Energy: 1.0364972067322311
Energy: 0.9993108868781296
Energy: 1.0461248215267467
Energy: 0.9993108868741651
Energy: 1.021535144994268
Energy: 0.9993108868786958
Energy: 1.0081481753807378
Energy: 0.9760603403391634
Energy: 1.0081481753779062
Energy: 0.9760603403425615
Energy: 1.0081481753801715
Energy: 0.9760603403442604
Energy: 1.028007534873321
Energy: 0.9758767947488609
Energy: 1.028007534868224
Energy: 0.975876794752259
Energy: 1.0280075348653925
Energy: 0.9758767947437641
Energy: 0.9857278813233743
Energy: 1.022011257673042
Energy: 0.9857278813267722
Energy: 1.022011257678139
Energy: 0.9857278813267722
Energy: 1.0220112576804044
Energy: 1.0017651947518857
Energy: 1.0029506208247647
Energy: 1.0017651947513198
Energy: 1.0029506208258971
Energy: 1.0017651947541513
Energy: 1.0029506208140044
Energy: 0.9917509790349295
Energy: 0.9953177536058776
Energy: 0.9917509790439907
Energy: 0.995317753604745
Energy: 0.9917509790332305
Energy: 0.9953177536041786
Energy: 1.0107135146786939
Energy: 1.001686103264935
Energy: 1.0107135146781276
Energy: 1.0016861032621032
Energy: 1.0107135146792603
Energy: 1.0016861032626698
Energy: 0.9797721660559521
Energy: 1.0207133386492535
Energy: 0.979772166057651
Energy: 1.0207133386498195
Energy: 0.9797721660542532
Energy: 1.020713338658881
Energy: 0.9796151972209552
Energy: 0.9916087186382194
Energy: 0.9796151972333886
Energy: 0.9916087186433162
Energy: 0.9796151972243533
Energy: 0.9916087187033209
Energy: 1.0022123333717248
Energy: 1.020385747080092
Energy: 1.0022123333683268
Energy: 1.020385747084623
Energy: 1.0022123333620974
Energy: 1.0203857470863218
Energy: 1.0098073370755074
Energy: 0.9984863133395292
Energy: 1.0098073370755074
Energy: 0.9984863133423607
Energy: 1.0098073370851348
Energy: 0.9984863133400956
Energy: 1.0141077141056813
Energy: 1.0235968016439156
Energy: 1.0141077141079466
Energy: 1.0235968016541095
Energy: 1.0141077141045487
Energy: 1.0235968016444819
Energy: 0.9803966627209424
Energy: 0.9987240598128119
Energy: 0.9803966627271721
Energy: 0.9987240598071743
Energy: 0.9803966627220752
Energy: 0.9987240598190413
Energy: 1.0041446456338428
Energy: 1.0175313868596294
Energy: 1.0041446456293124
Energy: 1.0175313868692313
Energy: 1.0041446456372407
Energy: 1.017531386856798
Energy: 0.9658064397359502
Energy: 1.0061212764306269
Energy: 0.9658064397353839
Energy: 1.0061212764198666
Energy: 0.965806439730287
Energy: 1.0061212764113718
Energy: 1.0465979122374396
Energy: 1.0213378023310546
Energy: 1.0465979122397049
Energy: 1.021337802340682
Energy: 1.0465979122334754
Energy: 1.0213378023327535
Energy: 0.9741173771027027
Energy: 0.957768060592195
Energy: 0.9741173771038354
Energy: 0.9577680605961593
Energy: 0.9741173771021365
Energy: 0.9577680605865575
Energy: 1.0307379492005988
Energy: 0.9907104768356715
Energy: 1.0307379492017315
Energy: 0.9907104768334063
Energy: 1.0307379491921038
Energy: 0.9907104768322735
Energy: 0.9941611871948548
Energy: 0.980549273433866
Energy: 0.9941611871925897
Energy: 0.980549273428769
Energy: 0.9941611872010845
Energy: 0.9805492734259375
Energy: 1.0521124151318082
Energy: 1.0551530453619007
Energy: 1.0521124151340735
Energy: 1.0551530453596354
Energy: 1.0521124151352061
Energy: 1.0551530453602018
Energy: 1.0036341337671157
Energy: 0.9997313456016558
Energy: 1.0036341337671157
Energy: 0.9997313456061865
Energy: 1.0036341337574883
Energy: 0.9997313456044876
Energy: 1.0321153242182324
Energy: 1.0224678245267607
Energy: 1.0321153242159673
Energy: 1.0224678245329903
Energy: 1.0321153242182324
Energy: 1.0224678245267607
Energy: 0.9858412693406802
Energy: 1.005535387228668
Energy: 0.985841269347476
Energy: 1.005535387228668
Energy: 0.9858412693418128
Energy: 1.0055353872320663
Energy: 1.0007083275834674
Energy: 0.9892031659321938
Energy: 1.000708327571034
Energy: 0.9892031659412549
Energy: 1.0007083275766973
Energy: 0.9892031659253978
Energy: 0.9850606707663808
Energy: 1.038566035825411
Energy: 0.9850606707663808
Energy: 1.038566035825411
Energy: 0.9850606707697785
Energy: 1.0385660358225792
Energy: 1.007214296371567
Energy: 0.9806898294301507
Energy: 1.0072142963738322
Energy: 0.9806898294290182
Energy: 1.0072142963743984
Energy: 0.9806898294301507
Energy: 1.0114147554784665
Energy: 1.016919160842677
Energy: 1.0114147554795994
Energy: 1.0169191608421109
Energy: 1.0114147554750688
Energy: 1.0169191608455088
Energy: 0.9852265738574943
Energy: 0.9568789447098783
Energy: 0.9852265738563617
Energy: 0.9568789447070467
Energy: 0.9852265738546627
Energy: 0.9568789447059141
Energy: 0.9790312236992433
Energy: 1.0385770571138606
Energy: 0.979031223694713
Energy: 1.038577057122896
Energy: 0.9790312236935803
Energy: 1.0385770571223298

minimum gb energy = 0.9568789447059141 eV
minimum distance =  2.2172274208602 Angstroms
sigma value = 57


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

Energy: 0.9452077328609549
Energy: 0.9821684186408708
Energy: 0.9452077328599472
Energy: 0.9821684186388552
Energy: 0.9452077328639782
Energy: 0.9821684186378474
Energy: 1.0069190740351686
Energy: 1.0146627091550053
Energy: 1.006919074034161
Energy: 1.0146627091509741
Energy: 1.0069190740271066
Energy: 1.0146627091429117
Energy: 1.0293811331488818
Energy: 0.9850745830641712
Energy: 1.0293811331549285
Energy: 0.9850745830722334
Energy: 1.0293811331559364
Energy: 0.98507458306921
Energy: 0.9567086359668744
Energy: 1.157239418167471
Energy: 0.9567086359678822
Energy: 1.0961145999865165
Energy: 0.956708635963851
Energy: 1.096114599992563
Energy: 1.0293681111902464
Energy: 0.9850847500651769
Energy: 1.0293681111841995
Energy: 0.985084750069208
Energy: 1.0293681111872228
Energy: 0.9850847500611458
Energy: 1.0069830678320135
Energy: 1.0021783995558413
Energy: 1.0069830678320135
Energy: 1.0147000400440962
Energy: 1.0069830678329985
Energy: 0.9595521374835849
Energy: 0.9452077328539005
Energy: 0.9821684186338162
Energy: 0.9452077328579316
Energy: 0.9821684186287775
Energy: 0.9452077328569238
Energy: 0.9821684186358318
Energy: 1.0069190740391998
Energy: 1.014662709156013
Energy: 1.0069190740321452
Energy: 1.0146627091570206
Energy: 1.0069190740351686
Energy: 1.0146627091529896
Energy: 1.0293811331458587
Energy: 0.9850745830671945
Energy: 1.0293811331508975
Energy: 0.9850745830682023
Energy: 1.0293811331579519
Energy: 0.9850745830682023
Energy: 0.9567086359618354
Energy: 1.1572394181654555
Energy: 0.9567086359668744
Energy: 1.0961146000086874
Energy: 0.956708635963851
Energy: 1.0961145999905475
Energy: 1.0293681111983086
Energy: 0.9850847500621536
Energy: 1.0293681111932698
Energy: 0.9850847500591531
Energy: 1.029368111196293
Energy: 0.9850847500541141
Energy: 1.0069830678370295
Energy: 1.0021783995588647
Energy: 1.0069830678420686
Energy: 1.002178399548787
Energy: 1.0069830678340062
Energy: 1.0021783995649114
Energy: 0.9452077328528926
Energy: 0.9821684186338162
Energy: 0.9452077328498694
Energy: 0.9821684186318008
Energy: 0.945207732864986
Energy: 0.9821684186318008
Energy: 1.0069190740351686
Energy: 1.0146627091489586
Energy: 1.0069190740321452
Energy: 1.0146627091499663
Energy: 1.0069190740250908
Energy: 1.014662709156013
Energy: 1.0293811331579519
Energy: 0.985074583065179
Energy: 1.0293811331619602
Energy: 0.985074583074249
Energy: 1.0293811331589369
Energy: 0.9850745830772722
Energy: 0.9567086359537732
Energy: 1.0961145999955866
Energy: 0.9567086359719132
Energy: 1.0961145999986097
Energy: 0.9567086359719132
Energy: 1.096114599992563
Energy: 1.0293681111872228
Energy: 0.985084750069208
Energy: 1.029368111182207
Energy: 0.9850847500510909
Energy: 1.0293681111932698
Energy: 0.9850847500651769

minimum gb energy = 0.9452077328498694 eV
minimum distance =  2.30390353038335 Angstroms
sigma value = 9


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

Energy: 1.0954661938167014
Energy: 1.141649733806318
Energy: 1.0425733191007682
Energy: 1.1416497338046723
Energy: 1.0954661938273984
Energy: 1.1416497338096092
Energy: 1.1019623058616619
Energy: 1.024044238979619
Energy: 1.1019623058484964
Energy: 1.0240442389730362
Energy: 1.1019623058583705
Energy: 1.0240442389738589
Energy: 1.0638874708543642
Energy: 1.0441406144616352
Energy: 1.0638874708609471
Energy: 1.0441406144608123
Energy: 1.0638874708708213
Energy: 1.044140614469041
Energy: 1.0092494531066933
Energy: 1.1341956319740516
Energy: 1.0092494531066933
Energy: 1.1341956319641775
Energy: 1.0092494531058707
Energy: 1.1341956319756972
Energy: 1.0428579818420234
Energy: 1.0774490043299156
Energy: 1.0428579818313264
Energy: 1.0774490043241556
Energy: 1.0428579818461376
Energy: 1.0774490043167502
Energy: 1.119999041708389
Energy: 1.0511602203125952
Energy: 1.1199990417108574
Energy: 1.0511602203224693
Energy: 1.1199990417108574
Energy: 1.051160220311772
Energy: 1.0257084898329791
Energy: 1.0904568757338862
Energy: 1.025708489833802
Energy: 1.090456874412988
Energy: 1.0257084898428532
Energy: 1.0904568759024955
Energy: 1.0565439295772754
Energy: 1.0616162208525664
Energy: 1.056543929574807
Energy: 1.0616162208533892
Energy: 1.0565439295731984
Energy: 1.0616162208492752
Energy: 1.153277579853715
Energy: 1.023740320944696
Energy: 1.1532775798488153
Energy: 1.0237403209479872
Energy: 1.1532775798578294
Energy: 1.0237403209488103
Energy: 1.0249157293262003
Energy: 1.11828517972519
Energy: 1.024914164016366
Energy: 1.11828517972519
Energy: 1.0249157293212634
Energy: 1.1182851797260132
Energy: 1.0317761890399324
Energy: 1.1311187104217308
Energy: 1.0317761890317039
Energy: 1.1311187104217308
Energy: 1.0317761890284123
Energy: 1.1311187104241993
Energy: 1.1376142865088272
Energy: 1.0488011398643373
Energy: 1.1376142865071817
Energy: 1.0488011398700972
Energy: 1.1376142865038903
Energy: 1.048801139871743
Energy: 1.004165114611755
Energy: 1.1544278053626162
Energy: 1.0041651146142236
Energy: 1.154427805384833
Energy: 1.0041651146166921
Energy: 1.154427805369199
Energy: 1.0930464471873342
Energy: 1.0768028894898454
Energy: 1.0930464471848653
Energy: 1.0768028894881998
Energy: 1.0930464471947399
Energy: 1.0768028894923138
Energy: 1.1792253026222141
Energy: 1.025530447934929
Energy: 1.095961313405261
Energy: 1.0255304479283465
Energy: 1.1792253026205686
Energy: 1.025530447930815
Energy: 1.0992122378390465
Energy: 1.056821117280918
Energy: 1.0528373479887
Energy: 1.0568211172833866
Energy: 1.0992122378406923
Energy: 1.0568211172702584
Energy: 1.099924422741119
Energy: 1.0808956964846426
Energy: 1.0466599028912094
Energy: 1.0808956964846426
Energy: 1.099924422734536
Energy: 1.0808956964805285
Energy: 1.2050363924363106
Energy: 1.0250230713179536
Energy: 1.2050363924363106
Energy: 1.0250230713294735
Energy: 1.2050363924346645
Energy: 1.025023071326182
Energy: 1.00963625667383
Energy: 1.1397251640938428
Energy: 1.0096362566853498
Energy: 1.1397251640987425
Energy: 1.00963625667383
Energy: 1.1397251641003883
Energy: 1.0201531436371485
Energy: 1.083517723458012
Energy: 1.0201531436330344
Energy: 1.0835177231923814
Energy: 1.0201531436338571
Energy: 1.0835177232458293
Energy: 1.1826126037691376
Energy: 1.0452609857644095
Energy: 1.183913227670241
Energy: 1.0452609857619408
Energy: 1.1826126037666689
Energy: 1.0452609857578268

minimum gb energy = 1.004165114611755 eV
minimum distance =  2.24327519857814 Angstroms
sigma value = 27


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

Energy: 0.9756024529818214
Energy: 1.0323617643578866
Energy: 0.9756024529492221
Energy: 1.032361764350257
Energy: 0.9756024529429796
Energy: 1.0323617643551122
Energy: 0.9874844236752405
Energy: 1.01470399581717
Energy: 0.9874844236794019
Energy: 1.0147040628198998
Energy: 0.9874844236821764
Energy: 1.0145342056203495
Energy: 1.0450996542601962
Energy: 0.9617899718736369
Energy: 1.0451026661585756
Energy: 0.9617899718708625
Energy: 1.0451064051444474
Energy: 0.9617899718750241
Energy: 0.9754578160950852
Energy: 1.0151029134879188
Energy: 0.9754696843694175
Energy: 1.0150946519556538
Energy: 0.9754540861650097
Energy: 1.0150997510060098
Energy: 1.015770149574281
Energy: 1.0069197668352008
Energy: 1.0157701495756681
Energy: 1.0069197668379752
Energy: 1.0157701495722
Energy: 1.006919766829652
Energy: 1.0315959471675185
Energy: 0.97814077555601
Energy: 1.0315959469096243
Energy: 0.9781407744876418
Energy: 1.031595949160742
Energy: 0.9781407745576641
Energy: 0.9755342954549062
Energy: 1.035047180534938
Energy: 0.9755342954618421
Energy: 1.035047180521066
Energy: 0.9755342954555999
Energy: 1.0350471805377124
Energy: 1.0476447247998948
Energy: 1.045939490495535
Energy: 1.047644724818622
Energy: 1.045939490480276
Energy: 1.0476447248338816
Energy: 1.0459394905072947
Energy: 1.031283086166555
Energy: 0.9787385467136347
Energy: 1.03128308617141
Energy: 0.978738546708086
Energy: 1.0312830861769589
Energy: 0.9787385467101667
Energy: 0.9757880620516777
Energy: 0.9800174050415988
Energy: 0.9757535192535259
Energy: 0.9800175051519167
Energy: 0.9757495694673779
Energy: 0.9800175203295092
Energy: 0.9758534888692593
Energy: 0.9803370557119455
Energy: 0.9758533023980579
Energy: 0.9803361630366682
Energy: 0.9758471731547211
Energy: 0.9803364771682879
Energy: 1.031292123680192
Energy: 0.9781207701568995
Energy: 1.0312921236684007
Energy: 0.9781207701596738
Energy: 1.0312921236822727
Energy: 0.9781207701624482
Energy: 1.047738265108974
Energy: 1.045922129758225
Energy: 1.0477382651588816
Energy: 1.045922129744353
Energy: 1.0477382650867786
Energy: 1.0459221297277066
Energy: 0.9755334436735636
Energy: 1.035047896983834
Energy: 0.9755334436555301
Energy: 1.0350478969706554
Energy: 0.97553344367287
Energy: 1.0350478969734298
Energy: 1.0316340095176524
Energy: 0.9781387353137063
Energy: 1.0316340091315048
Energy: 0.9781387319526361
Energy: 1.0316340084437667
Energy: 0.9781387319193433
Energy: 1.0157729799210848
Energy: 1.006888659630439
Energy: 1.0157729799176167
Energy: 1.0068886596339068
Energy: 1.0157729799307638
Energy: 1.006888659626971
Energy: 0.9755032574797471
Energy: 1.0151814084011466
Energy: 0.9755094286320426
Energy: 1.0151818137896933
Energy: 0.9754997418018485
Energy: 1.0151822670134938
Energy: 1.0450100315739852
Energy: 0.9618439720571198
Energy: 1.0450044445172548
Energy: 0.9618439720605877
Energy: 1.045003521725959
Energy: 0.9618439720571198
Energy: 0.9874520705187854
Energy: 1.0143864682572188
Energy: 0.9874520705118492
Energy: 1.014386601314934
Energy: 0.9874520705076877
Energy: 1.0143871373728401
Energy: 0.9756024529346564
Energy: 1.0323617643530314
Energy: 0.9756024529367373
Energy: 1.0323617643613545
Energy: 0.9756024529256396
Energy: 1.0323617643613545
Energy: 0.9874844236738531
Energy: 1.0147070290461504
Energy: 0.9874844236669172
Energy: 1.0145229378643483
Energy: 0.9874844236835637
Energy: 1.01470994950941
Energy: 1.0450946594459245
Energy: 0.9617899718715561
Energy: 1.0450960436952772
Energy: 0.9617899718854281
Energy: 1.0450978251918628
Energy: 0.9617899718791857
Energy: 0.9754687491279304
Energy: 1.015099035587334
Energy: 0.9754629803719501
Energy: 1.0151052464681862
Energy: 0.9754555953848018
Energy: 1.0152583287044463
Energy: 1.0157701495735874
Energy: 1.006919766836588
Energy: 1.0157701495749745
Energy: 1.0069197668254901
Energy: 1.015770149572894
Energy: 1.0069197668324263
Energy: 1.0315959481693322
Energy: 0.9781407771436653
Energy: 1.0315959477776044
Energy: 0.9781407756877313
Energy: 1.0315959477276966
Energy: 0.9781407745334195

minimum gb energy = 0.9617899718708625 eV
minimum distance =  2.3469976873805 Angstroms
sigma value = 19


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

Energy: 0.9691125173061534
Energy: 1.1276813002711765
Energy: 0.9691125173151341
Energy: 1.1276813002645907
Energy: 0.9691125173043573
Energy: 1.1276813002609984
Energy: 1.0257309533843837
Energy: 0.9533578426772273
Energy: 1.0257309533807912
Energy: 0.9533578426730361
Energy: 1.025730953383186
Energy: 0.9533578426772273
Energy: 1.0189699634340283
Energy: 0.9212603515553629
Energy: 1.0189699634483975
Energy: 0.9212603512172274
Energy: 1.0189699634352258
Energy: 0.9212603511747461
Energy: 0.9328000716792454
Energy: 1.04900311106742
Energy: 0.9328000716822388
Energy: 1.0490031110638278
Energy: 0.9328000716852324
Energy: 1.04900311106742
Energy: 0.9914870466453355
Energy: 1.0249938680446082
Energy: 0.9914870466477305
Energy: 1.0249938680493977
Energy: 0.991487046642342
Energy: 1.0249938680499966
Energy: 1.0274630359604788
Energy: 0.9419117549737429
Energy: 1.0274630359664387
Energy: 0.9419117549725455
Energy: 1.0274630359676362
Energy: 0.941911754971348
Energy: 0.9157201685797411
Energy: 1.1073187380836516
Energy: 0.9157201685845306
Energy: 1.1073187380788616
Energy: 0.9157201685767747
Energy: 1.1073187380812566
Energy: 0.9620094955819131
Energy: 1.020138399724539
Energy: 0.9620094955771232
Energy: 1.020138399732921
Energy: 0.9620094955825116
Energy: 1.0201383997341182
Energy: 1.1040540151654081
Energy: 0.9203485002254673
Energy: 1.1040540151725926
Energy: 0.9203485002230727
Energy: 1.1040540151713951
Energy: 0.9203485002260662
Energy: 0.945326751953557
Energy: 1.0066351279565477
Energy: 0.9453267519583468
Energy: 1.0066351279601402
Energy: 0.9453267519577481
Energy: 1.0066351279589427
Energy: 0.9283918746009039
Energy: 1.1532095292351572
Energy: 0.928391874606891
Energy: 1.1532095292393483
Energy: 0.9283918746032988
Energy: 1.1532095292381508
Energy: 1.0624877103475179
Energy: 0.9327503581473273
Energy: 1.0624877103403332
Energy: 0.9327503581449325
Energy: 1.0624877103421295
Energy: 0.9327503581449325
Energy: 0.9637888971582186
Energy: 0.9602559701524332
Energy: 0.9637888971606133
Energy: 0.9602559701470449
Energy: 0.9637888971558236
Energy: 0.9602559701500384
Energy: 0.9369604237598707
Energy: 1.027579840418501
Energy: 0.9369604237550812
Energy: 1.0275798404298762
Energy: 0.9369604237628644
Energy: 1.0275798404250867
Energy: 1.0266844552016163
Energy: 0.9153255064247046
Energy: 1.0266844552070047
Energy: 0.9153255064247046
Energy: 1.0266844552010175
Energy: 0.9153255064211123
Energy: 1.0966982710821505
Energy: 0.9222908954265946
Energy: 1.0966982710803546
Energy: 0.9222908954259958
Energy: 1.0966982710809532
Energy: 0.9222908954259958
Energy: 0.9424733713760141
Energy: 1.0467764973908131
Energy: 0.9424733713742179
Energy: 1.0467764973956029
Energy: 0.9424733713706256
Energy: 1.0467764973830298
Energy: 1.0180692392151103
Energy: 0.9853720275810158
Energy: 1.018069239221097
Energy: 0.9853720275756274
Energy: 1.0180692392157087
Energy: 0.9853720275798185
Energy: 1.0519539865468086
Energy: 0.9403692082321953
Energy: 1.0519539865527958
Energy: 0.940369208241176
Energy: 1.0519539865420189
Energy: 0.9403692082351889
Energy: 0.9337824967909736
Energy: 1.043684981812546
Energy: 0.9337824967897761
Energy: 1.0436849818119474
Energy: 0.933782496785585
Energy: 1.043684981808355
Energy: 0.9108085462936316
Energy: 1.0252269218002947
Energy: 0.9108085462942301
Energy: 1.0252269218008936
Energy: 0.91080854629902
Energy: 1.0252269217990975
Energy: 1.1024941074446402
Energy: 0.9321868486234537
Energy: 1.1024941074458376
Energy: 0.9321868486264472
Energy: 1.102494107455417
Energy: 0.932186848631237
Energy: 0.9699137320146335
Energy: 0.9927870431695689
Energy: 0.969913731991311
Energy: 0.9927870431749302
Energy: 0.9699137320170285
Energy: 0.9927870431785224
Energy: 0.9696856466713332
Energy: 1.065127826998575
Energy: 0.969685646669537
Energy: 1.065127827000371
Energy: 0.9696856466761229
Energy: 1.0651278269925877
Energy: 1.0211950480462815
Energy: 0.9336339544470331
Energy: 1.021195048039097
Energy: 0.9336339544500267
Energy: 1.0211950480420906
Energy: 0.9336339544428421
Energy: 0.9707183268092973
Energy: 0.9520120386528917
Energy: 0.970718326801514
Energy: 0.9520120386612463
Energy: 0.9707183268027114
Energy: 0.9520120386582528
Energy: 0.9256167128939294
Energy: 1.0187189241712467
Energy: 0.9256167128951269
Energy: 1.0187189241736414
Energy: 0.9256167128945281
Energy: 1.018718924174839
Energy: 1.0078259097058615
Energy: 0.9398644535153471
Energy: 1.0078259097076578
Energy: 0.939864453519538
Energy: 1.0078259097166382
Energy: 0.9398644535171431
Energy: 1.0398507456335178
Energy: 0.9401729750062433
Energy: 1.0398507456317216
Energy: 0.940172975000855
Energy: 1.0398507456472608
Energy: 0.9401729749870846

minimum gb energy = 0.9108085462936316 eV
minimum distance =  2.3127121063444 Angstroms
sigma value = 101


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

Energy: 0.9691965713865817
Energy: 1.0580051393456547
Energy: 0.9091969026863758
Energy: 1.058005139339339
Energy: 0.9691965713813188
Energy: 1.0580051393351286
Energy: 1.0498093721610167
Energy: 0.9128878010772813
Energy: 0.9763874913852177
Energy: 0.9156028218564999
Energy: 1.0498093721631219
Energy: 0.900726426438559
Energy: 1.0139782317666066
Energy: 0.8850370275270363
Energy: 1.013978231760291
Energy: 0.8850370275212469
Energy: 1.0139782317534491
Energy: 0.8850370275275625
Energy: 0.881174804278251
Energy: 1.186268007984211
Energy: 0.8811977811276345
Energy: 1.1367652591279196
Energy: 0.8811748042756194
Energy: 1.1367652591342354
Energy: 0.8993409410059772
Energy: 0.9800311173822798
Energy: 0.8993409410207137
Energy: 0.9800311173838586
Energy: 0.8993409410186084
Energy: 0.9800311173796482
Energy: 1.042200484889164
Energy: 0.8972216830245636
Energy: 1.0422004848812696
Energy: 0.897221683020377
Energy: 1.042200484882322
Energy: 0.89722168301143
Energy: 0.9009586715010448
Energy: 1.0974542198742643
Energy: 0.9009586715068341
Energy: 1.0974542198716328
Energy: 0.9009586715020974
Energy: 1.0974542198726855
Energy: 0.8674601693461254
Energy: 1.0139737229421335
Energy: 0.8674601693508619
Energy: 1.0139737229521333
Energy: 0.8674601693555747
Energy: 1.0139737229458177
Energy: 1.081978403869381
Energy: 0.896570722805562
Energy: 1.0819957723520932
Energy: 0.8965707228071411
Energy: 1.0819784038646443
Energy: 0.8965707228034571
Energy: 0.9740879806748454
Energy: 0.9459363159643269
Energy: 0.9740879806816872
Energy: 0.9459363159669584
Energy: 0.9740879806801083
Energy: 0.9459363159711688
Energy: 0.8811955807245077
Energy: 1.14459517188828
Energy: 0.881195580723455
Energy: 1.1445951719035425
Energy: 0.8811955807271391
Energy: 1.1445951718945957
Energy: 1.0114393885224937
Energy: 0.9008513360437808
Energy: 1.0114393885182835
Energy: 0.9008513360422018
Energy: 1.0114393885188095
Energy: 0.9008513360390441
Energy: 0.9894382260858094
Energy: 0.8882581275491428
Energy: 0.9894382260879147
Energy: 0.8882581275554582
Energy: 0.9894382260931776
Energy: 0.8882581275565109
Energy: 0.9095174905061477
Energy: 1.0811396964439415
Energy: 0.9095174904972246
Energy: 1.0811396964486781
Energy: 0.909517490501411
Energy: 1.081139696440281
Energy: 0.9293180981013542
Energy: 0.9433925749049487
Energy: 0.9293180980992489
Energy: 0.9433925749175797
Energy: 0.9293180981018806
Energy: 0.9433925749238953
Energy: 1.0123921253414025
Energy: 0.8855866620874979
Energy: 1.01239212534035
Energy: 0.8855866620943399
Energy: 1.012392125331403
Energy: 0.8855866620938135
Energy: 0.8793694923639956
Energy: 0.9943237323206011
Energy: 0.8793546492916894
Energy: 0.9943237323216538
Energy: 0.8793694923682059
Energy: 0.9943237323227063
Energy: 0.8792513351243676
Energy: 0.9801779281793036
Energy: 0.8792527747215167
Energy: 0.9801779281824373
Energy: 0.8792513351290804
Energy: 0.98017792818349
Energy: 1.042647891125512
Energy: 0.8965652540064675
Energy: 1.0426478911249857
Energy: 0.8965652540022571
Energy: 1.0426478911244594
Energy: 0.8965652540027834
Energy: 0.9004204368084264
Energy: 0.9011404562029616
Energy: 0.9004204368142158
Energy: 0.9011404562045405
Energy: 0.9004204368136896
Energy: 0.901140456199804
Energy: 0.8744403480119967
Energy: 1.1156936531565358
Energy: 0.8744403480167332
Energy: 1.1156936531512731
Energy: 0.8744403480104178
Energy: 1.115693653147589
Energy: 1.1304707118574067
Energy: 0.8966384573493252
Energy: 1.1304707118584594
Energy: 0.8966384573403782
Energy: 1.1304707118500386
Energy: 0.8966384573482727
Energy: 1.0227184257826925
Energy: 0.8965513251809808
Energy: 1.0227184257879556
Energy: 0.896551325183086
Energy: 1.0227184257879556
Energy: 0.8965513251731102
Energy: 0.8810816525227171
Energy: 1.0405389600191424
Energy: 0.8810816525200857
Energy: 1.0405389600154582
Energy: 0.8810816525237698
Energy: 1.0405389600180897
Energy: 1.0105030504741186
Energy: 0.9197796846439318
Energy: 1.0105030504809365
Energy: 0.9197796846644335
Energy: 1.0105030504798838
Energy: 0.9197796846644335
Energy: 1.040430005264789
Energy: 0.8897140748134565
Energy: 0.9934506579786718
Energy: 0.8897140748097724
Energy: 1.0404300052595261
Energy: 0.8897140748118776
Energy: 0.9716909682937654
Energy: 0.9897543002520767
Energy: 0.9089191934684554
Energy: 0.9897543002499954
Energy: 0.9716909682985021
Energy: 0.9897543002484166
Energy: 0.9716313552540418
Energy: 0.9665051771188308
Energy: 0.9090210688582151
Energy: 0.9665051771214621
Energy: 0.9716313552487786
Energy: 0.966505177114094
Energy: 1.0606621125430866
Energy: 0.8858490201776197
Energy: 1.0606621125420337
Energy: 0.8858490201723567
Energy: 1.0606621125294027
Energy: 0.8858490201760407
Energy: 0.8792077763556299
Energy: 0.9647529590002292
Energy: 0.8792013611956434
Energy: 0.9647529589986502
Energy: 0.8792077763545771
Energy: 0.9647529590044395
Energy: 0.879356588662533
Energy: 1.0484075364497878
Energy: 0.8793205617768497
Energy: 1.0484075364561034
Energy: 0.8793565886672695
Energy: 1.0484075364513668
Energy: 1.0169829427806154
Energy: 0.8966817689217739
Energy: 1.0169829427895625
Energy: 0.8966817689154585
Energy: 1.0169829427806154
Energy: 0.8966817689133533
Energy: 1.0186493649330755
Energy: 0.8966722442546173
Energy: 1.0186493649420225
Energy: 0.8966722442488281
Energy: 1.0186493649325492
Energy: 0.896672244250407

minimum gb energy = 0.8674601693461254 eV
minimum distance =  2.24972035347266 Angstroms
sigma value = 33


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

Energy: 0.49632012318853586
Energy: 0.940873393308197
Energy: 0.014133827171715673
Energy: 0.9408733933167482
Energy: 0.4963201231808348
Energy: 0.9408733932898311
Energy: 0.49635096096566617
Energy: 0.27475871071414765
Energy: 0.014548982702933895
Energy: 0.2747587107209742
Energy: 0.4963509609742175
Energy: 0.2747587107145607
Energy: 0.059291500769116774
Energy: 0.2755002963621314
Energy: 0.059291467062458185
Energy: 0.2755002963672573
Energy: 0.059291522440036014
Energy: 0.2755002963702454
Energy: 0.49635096098148124
Energy: 0.274758710697458
Energy: 0.014548982720473785
Energy: 0.2747587106765171
Energy: 0.4963509609960087
Energy: 0.27475871070302127

minimum gb energy = 0.014133827171715673 eV
minimum distance =  2.56590465868907 Angstroms
sigma value = 1