Model name: model_name=EAM_Dynamo_Olsson_2009_Fe__MO_024705128470_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.678452149033547
cohesive_energy=4.224994686759812
mass=55.845
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: -1e-07 eV

========================================
theta = 0.0
========================================

Energy: 0.0157702373298477
Energy: 1.4524322969757524
Energy: 0.0157702373298477
Energy: 1.4524322969760552
Energy: 0.0157702373298477
Energy: 1.4524322969757524
Energy: 1.4524322969757524
Energy: 0.01577517075520776
Energy: 1.4524322969757524
Energy: 0.01577517075520776
Energy: 1.4524322969757524
Energy: 0.01577517075520776
Energy: 0.0157702373298477
Energy: 1.4524322969757524
Energy: 0.0157702373298477
Energy: 1.4524322969760552
Energy: 0.0157702373298477
Energy: 1.4524322969757524
Energy: 1.4524322969757524
Energy: 0.01577517075520776
Energy: 1.4524322969760552
Energy: 0.01577517075520776
Energy: 1.4524322969757524
Energy: 0.015775170754904876
Energy: 0.01577023733015058
Energy: 1.4524322969757524
Energy: 0.01577023733015058
Energy: 1.4524322969760552
Energy: 0.0157702373298477
Energy: 1.4524322969757524
Energy: 1.4524322969757524
Energy: 0.01577517075520776
Energy: 1.4524322969757524
Energy: 0.015775170754904876
Energy: 1.4524322969757524
Energy: 0.01577517075520776

minimum gb energy = 0.0157702373298477 eV
minimum distance =  2.60002753626137 Angstroms
sigma value = 1


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

Energy: 1.2474400448052831
Energy: 1.074912077569731
Energy: 1.2474400448052831
Energy: 1.0749120775704601
Energy: 1.2474400448045542
Energy: 1.0749120775704601
Energy: 1.3920044871950605
Energy: 0.9418200513175966
Energy: 1.3920044863876437
Energy: 0.9418200513183255
Energy: 1.3920044831657965
Energy: 0.9418200513175966
Energy: 1.1271499251159882
Energy: 1.1602506496369605
Energy: 1.1271499251181754
Energy: 1.1602483869047018
Energy: 1.1271499251181754
Energy: 1.160242794866518
Energy: 1.3026691191215591
Energy: 1.0550783277267626
Energy: 1.3026691191193718
Energy: 1.0550783277267626
Energy: 1.3026691191230173
Energy: 1.0550783277260338
Energy: 1.1373338557822334
Energy: 1.2730113123378373
Energy: 1.1373338557822334
Energy: 1.2730113122416657
Energy: 1.1373338557815043
Energy: 1.273011311926109
Energy: 1.2529638280497601
Energy: 1.0304047804332421
Energy: 1.2529638280497601
Energy: 1.0304047804201186
Energy: 1.2529638280490312
Energy: 1.0304047804040792
Energy: 1.0418333232932455
Energy: 1.2154715065630832
Energy: 1.041833323046951
Energy: 1.215471506302207
Energy: 1.0418333221644391
Energy: 1.2154715055836707
Energy: 1.0427096831117186
Energy: 1.3199529174241071
Energy: 1.0427096831066152
Energy: 1.3199529156757863
Energy: 1.0427096831146347
Energy: 1.319952910001067
Energy: 1.2324507787542618
Energy: 1.2186946628474118
Energy: 1.2324507787535328
Energy: 1.2186946628460198
Energy: 1.232450778754991
Energy: 1.2186946628460198
Energy: 0.944705661372256
Energy: 1.2948958909833703
Energy: 0.944705661372256
Energy: 1.294839702798706
Energy: 0.944705661372256
Energy: 0.7848054135327608
Energy: 1.1486697274969024
Energy: 1.0355811895174158
Energy: 1.1486697274983606
Energy: 1.0355811895181448
Energy: 1.1486697274961735
Energy: 1.0355811895174158
Energy: 0.8803739601812179
Energy: 0.6992746962046478
Energy: 0.8803739601804887
Energy: 0.6997959811786502
Energy: 0.8803739601812179
Energy: 0.6280604992004777
Energy: 1.3522896201256656
Energy: 0.8621349611477414
Energy: 1.3522895420159915
Energy: 0.8621349611477414
Energy: 1.35228923856115
Energy: 0.8621349611470122
Energy: 1.0515420449057196
Energy: 1.1815614888428032
Energy: 1.0515420449071777
Energy: 1.1815614888406158
Energy: 1.0515420449064485
Energy: 1.1815614888398869
Energy: 1.3981733841541222
Energy: 0.9527203556465994
Energy: 1.398173102059709
Energy: 0.9527203556473286
Energy: 1.3981723343927848
Energy: 0.9527203556480575
Energy: 1.4104725552233526
Energy: 1.1970011930374587
Energy: 1.4104725552248107
Energy: 1.1970009650630498
Energy: 1.4104725552240815
Energy: 1.1969999717915403
Energy: 1.2009316420076268
Energy: 1.150761851030601
Energy: 1.2009316419923162
Energy: 1.1507618510327884
Energy: 1.200931641941281
Energy: 1.1507618510320592
Energy: 1.2007704842769191
Energy: 1.0623911208618408
Energy: 1.2007704842215094
Energy: 1.0623911207415433
Energy: 1.2007704840349327
Energy: 1.0623911203567908
Energy: 1.0555249186259523
Energy: 1.0542460609992095
Energy: 1.055524918623036
Energy: 1.0542460605816486
Energy: 1.0555249186244942
Energy: 1.054246059454234
Energy: 1.1957637721331082
Energy: 1.0303014672877986
Energy: 1.1957637662164027
Energy: 1.0303014672732171
Energy: 1.1957637440172073
Energy: 1.0303014672185367
Energy: 0.9629520252514859
Energy: 1.556648875285759
Energy: 0.9629520252500279
Energy: 1.5566488752850298
Energy: 0.9629520252514859
Energy: 1.556648875287217
Energy: 1.189987196110406
Energy: 1.2187145357140283
Energy: 1.1899871961096768
Energy: 1.2187145357147577
Energy: 1.1899871961089479
Energy: 1.2187145357147577
Energy: 0.9250037598223778
Energy: 1.3607862252967058
Energy: 0.9250037598223778
Energy: 1.3607862252974352
Energy: 0.9250037598231068
Energy: 1.3607862252974352

minimum gb energy = 0.6280604992004777 eV
minimum distance =  2.36071847678432 Angstroms
sigma value = 33


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

Energy: 1.4679166463121323
Energy: 1.2526252028378684
Energy: 1.413354136725684
Energy: 1.2526252028391123
Energy: 1.4679166463125468
Energy: 1.2526252028403564
Energy: 1.4918677902154436
Energy: 1.0944330090784584
Energy: 1.4918677902166875
Energy: 1.094433009078873
Energy: 1.4918677902158581
Energy: 1.0944330090801173
Energy: 1.060871016890117
Energy: 1.1337129895493336
Energy: 1.0608710168938493
Energy: 1.1337127118050165
Energy: 1.0608710168909463
Energy: 1.1337119723179176
Energy: 1.3378268809505662
Energy: 1.353437726572173
Energy: 1.3378268809472487
Energy: 1.3534377265725879
Energy: 1.3378268809489076
Energy: 1.3534377265680262
Energy: 1.232709274476986
Energy: 1.1495958403921525
Energy: 1.2327092744815478
Energy: 1.1495958403279123
Energy: 1.2327092744732537
Energy: 1.1495958400982467
Energy: 1.0103948219375678
Energy: 0.9041651367454888
Energy: 1.0103948219272003
Energy: 0.9041651367748944
Energy: 1.0103948219135153
Energy: 0.9041651367210218
Energy: 0.771458333081907
Energy: 1.3974522648203354
Energy: 0.8905049294210393
Energy: 1.3974522648207501
Energy: 0.7260973096008196
Energy: 1.3974522648178473
Energy: 0.8917584273371918
Energy: 1.455624511224137
Energy: 0.891758427336777
Energy: 1.4556245102293213
Energy: 0.8917584273376066
Energy: 1.4556245033666835
Energy: 1.1440898179683194
Energy: 1.065529056522671
Energy: 1.1440898179455488
Energy: 1.0655290565222564
Energy: 1.144089817897859
Energy: 1.0655290565201827
Energy: 1.0134542217239975
Energy: 1.3760172989534316
Energy: 1.0134641761720375
Energy: 1.3760172798531802
Energy: 1.0134542217248268
Energy: 1.3760171961518077
Energy: 1.330767110329202
Energy: 1.0146114855492583
Energy: 1.330767110327958
Energy: 1.0146114855492583
Energy: 1.3307671103304461
Energy: 1.014611485548429
Energy: 1.0644388094461956
Energy: 1.0467956004309036
Energy: 1.0644459486735507
Energy: 1.046795600431733
Energy: 1.0644388094461956
Energy: 1.046795600432148
Energy: 1.3863721280560612
Energy: 0.9547559343246708
Energy: 1.386375218774472
Energy: 0.9547559343246708
Energy: 1.3863721280187766
Energy: 0.9547559343255001
Energy: 1.3894904344049344
Energy: 0.8527207936907969
Energy: 1.3894884186166503
Energy: 0.9101034082943025
Energy: 1.389490434405349
Energy: 0.8272461394243372
Energy: 1.2666213495180638
Energy: 1.0924845080420247
Energy: 1.2666213495180638
Energy: 1.0924845080420247
Energy: 1.266621349515161
Energy: 1.092484508036219
Energy: 1.0607042584516002
Energy: 1.092420482118207
Energy: 1.0607042584511857
Energy: 1.092420482119866
Energy: 1.0607042584511857
Energy: 1.0924204821148895
Energy: 1.367668479815467
Energy: 1.217758420352348
Energy: 1.3676684798142227
Energy: 1.2177584203535918
Energy: 1.3676684798158814
Energy: 1.2177584203556655
Energy: 1.2325228115244355
Energy: 0.8785424144589413
Energy: 1.232522811487113
Energy: 0.8785424144614296
Energy: 1.2325228113088695
Energy: 0.8785424144626737
Energy: 1.0125631650891829
Energy: 0.9527074822930112
Energy: 1.0125631650879385
Energy: 0.9527074823526895
Energy: 1.0125631650891829
Energy: 0.9527074822527858
Energy: 1.3008700285903947
Energy: 1.3997273833329325
Energy: 1.3010032695621596
Energy: 1.3997273833341768
Energy: 1.3008700285899797
Energy: 1.3997273833321031
Energy: 0.9332003331103333
Energy: 0.8082756104060685
Energy: 0.9333999799441919
Energy: 0.8305526069933081
Energy: 0.9332003331103333
Energy: 0.865753700911562
Energy: 1.1490186461855292
Energy: 1.065082906833403
Energy: 0.8288023286496651
Energy: 1.0650829068338177
Energy: 0.8289290402022959
Energy: 1.0650829068305
Energy: 1.0137525090183668
Energy: 0.7111123064452882
Energy: 1.0137483292370975
Energy: 0.7005157681151903
Energy: 1.0137525090187818
Energy: 0.7003771671923001
Energy: 1.3774001237674958
Energy: 1.2367375184542915
Energy: 1.3774001237691544
Energy: 1.2367375184542915
Energy: 1.3774001237674958
Energy: 1.2367375184505591
Energy: 1.061191688936679
Energy: 1.0202044592024557
Energy: 1.0608496450331002
Energy: 1.0202043896272182
Energy: 1.0611916889375086
Energy: 1.020204242845147
Energy: 1.4586949445302173
Energy: 1.2388127414448127
Energy: 1.4042487173876763
Energy: 1.2388127414419101
Energy: 1.4586949445244117
Energy: 1.2388127414381778
Energy: 1.4589547252311432
Energy: 1.3030011517043685
Energy: 1.4041488094061678
Energy: 1.3030011517031241
Energy: 1.4589547252311432
Energy: 1.3030011516977331
Energy: 1.0611950597210582
Energy: 1.1437467899478182
Energy: 1.0611950597218875
Energy: 1.1437467898105917
Energy: 1.0611950597235464
Energy: 1.1437467893417979
Energy: 1.411157659331205
Energy: 1.0950587360878115
Energy: 1.4111576593291317
Energy: 1.0950587360873967
Energy: 1.411157659325814
Energy: 1.0950587360894701
Energy: 1.0138775983272714
Energy: 1.3289983276423876
Energy: 1.0138775983276862
Energy: 1.3289983276436317
Energy: 1.0138775983268569
Energy: 1.3289983276407287
Energy: 0.7818774513042263
Energy: 0.9171945541637135
Energy: 0.7698040965172991
Energy: 0.9171945532957565
Energy: 0.7500300081184205
Energy: 0.9171945550109731
Energy: 0.9584338041070339
Energy: 1.4615050177315374
Energy: 0.9584338041045457
Energy: 1.4615050020961766
Energy: 0.9584338041070339
Energy: 1.4615049351675602
Energy: 1.266411200619009
Energy: 1.3999494409291482
Energy: 1.2664112006219117
Energy: 1.3999494409291482
Energy: 1.2664112006223263
Energy: 1.3999494409316362
Energy: 1.093793736841182
Energy: 1.2665658396859996
Energy: 1.0937937368428408
Energy: 1.2665658396781203
Energy: 1.0937937368407675
Energy: 1.2665658396536534
Energy: 1.092524559264075
Energy: 1.0609339684815722
Energy: 1.0925245592590989
Energy: 1.060933968482816
Energy: 1.0925245592445845
Energy: 1.0609339684774253
Energy: 1.3452518338467794
Energy: 1.3453120192101895
Energy: 1.3452518338463648
Energy: 1.345312019211019
Energy: 1.3452518338484383
Energy: 1.3453120192085308
Energy: 1.0609609916183103
Energy: 1.232601293748861
Energy: 1.0609546633887115
Energy: 1.23260129374347
Energy: 1.0609609916008933
Energy: 1.2326012937281263
Energy: 1.0607389100144553
Energy: 1.0093005149012861
Energy: 1.0607701605991344
Energy: 1.0093005149004568
Energy: 1.0607389100098936
Energy: 1.0093005148983831
Energy: 1.3897966240939388
Energy: 0.8360574588587862
Energy: 1.3897934877900981
Energy: 0.8626748366600491
Energy: 1.3897966240935242
Energy: 0.8819671206132309
Energy: 1.3989352804492496
Energy: 0.9300558046011836
Energy: 0.8609415758859832
Energy: 0.9300558046011836
Energy: 0.8661592391684652
Energy: 0.9300558045945486
Energy: 1.0642037394004815
Energy: 0.9601258979838512
Energy: 1.064203739401311
Energy: 0.9601258979834365
Energy: 1.0642037394004815
Energy: 0.9601258979850953

minimum gb energy = 0.7003771671923001 eV
minimum distance =  2.38558850561796 Angstroms
sigma value = 51


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

Energy: 1.2006169226351093
Energy: 1.1967925702267994
Energy: 1.2006169226360703
Energy: 1.1967925702267994
Energy: 1.2006169226360703
Energy: 1.1967925702277604
Energy: 1.3972626186262838
Energy: 1.0524926105156558
Energy: 1.3972626186253227
Energy: 1.0524926105156558
Energy: 1.3972626186272445
Energy: 1.0524926105156558
Energy: 1.041915722638414
Energy: 1.2322540678243183
Energy: 1.041915722638414
Energy: 1.2322516267691452
Energy: 1.0419157226403357
Energy: 1.2322424768072537
Energy: 1.1905432856163056
Energy: 0.9250284887314434
Energy: 1.190543285614384
Energy: 0.9250284887314434
Energy: 1.1905432856163056
Energy: 0.9250284887314434
Energy: 1.179020482434237
Energy: 1.1575885388045133
Energy: 1.179020482434237
Energy: 1.1575885388035525
Energy: 1.179020482434237
Energy: 1.1575885388045133
Energy: 1.2156523933048289
Energy: 1.1574946732590419
Energy: 1.215652393303868
Energy: 1.1574946732609634
Energy: 1.215652393303868
Energy: 1.1574946732600029
Energy: 1.0407667658713862
Energy: 1.1573554674360114
Energy: 1.040766765873308
Energy: 1.1573554674379332
Energy: 1.040766765872347
Energy: 1.1573554674360114
Energy: 1.04408890356079
Energy: 1.1577486872995435
Energy: 1.0440889035598293
Energy: 1.1577486872985825
Energy: 1.04408890356079
Energy: 1.157748687296661
Energy: 1.3430501908828325
Energy: 0.9222379005431205
Energy: 1.3430501908789891
Energy: 0.9222379005431205
Energy: 1.343050190874185
Energy: 0.9222379005431205
Energy: 0.9602776150239087
Energy: 1.3278162439577106
Energy: 0.9602776150239087
Energy: 1.3278162439567498
Energy: 0.9602776150239087
Energy: 1.3278162439529062
Energy: 1.3501632457126842
Energy: 0.9252663680805597
Energy: 1.3501632457117234
Energy: 0.9252663680805597
Energy: 1.3501632457088408
Energy: 0.9252663680805597
Energy: 1.1973901028549612
Energy: 1.195372813829194
Energy: 1.197390102856883
Energy: 1.1953728138301547
Energy: 1.1973901028559222
Energy: 1.1953728138301547
Energy: 1.4131247091632881
Energy: 1.0530672354975337
Energy: 1.4131247091623274
Energy: 1.0530672354984945
Energy: 1.4131247091604056
Energy: 1.0530672354975337
Energy: 1.1317502269134991
Energy: 1.0784369920045054
Energy: 1.1317502269115773
Energy: 1.0784369918575403
Energy: 1.1317502269125383
Energy: 1.0784369915867136
Energy: 1.1738751037863697
Energy: 1.2150033189108906
Energy: 1.1738751037441362
Energy: 1.2150033189099299
Energy: 1.1738751035328383
Energy: 1.2150033189099299
Energy: 1.1788341201528807
Energy: 1.1574193729810072
Energy: 1.1788341201480763
Energy: 1.1574193729800464
Energy: 1.1788341201298203
Energy: 1.1574193729800464
Energy: 1.1793292303563008
Energy: 1.2867025494546434
Energy: 1.1793292303563008
Energy: 1.2867025494546434
Energy: 1.1793292303582226
Energy: 1.2867025494527218
Energy: 1.1253807289356175
Energy: 1.160706948028063
Energy: 1.1253807289356175
Energy: 1.160706948028063
Energy: 1.1253807289356175
Energy: 1.160706948027102

minimum gb energy = 0.9222379005431205 eV
minimum distance =  2.33076920765427 Angstroms
sigma value = 19


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

Energy: 0.9420347093709676
Energy: 0.9044514236306415
Energy: 0.9420347093703977
Energy: 0.9044514236317813
Energy: 0.9420347093703977
Energy: 0.9044514236300715
Energy: 1.1736878638622694
Energy: 1.219782171944552
Energy: 1.1736878638616997
Energy: 1.219782171944552
Energy: 1.1736878638605597
Energy: 1.2197821719451218
Energy: 0.860134191581962
Energy: 1.2176358427184337
Energy: 0.860134191581962
Energy: 1.2176358427190035
Energy: 0.860134191581962
Energy: 1.2176358427201435
Energy: 0.9851110724689475
Energy: 0.8605535879589628
Energy: 0.9851110724695173
Energy: 0.8605535879589628
Energy: 0.9851110724695173
Energy: 0.8605535879595325
Energy: 0.9155796215495526
Energy: 0.9419333705895694
Energy: 0.9155796215512625
Energy: 0.9419333705895694
Energy: 0.9155796215512625
Energy: 0.9419333705895694
Energy: 0.9155750952461398
Energy: 0.9417075855592388
Energy: 0.9155750952461398
Energy: 0.9417075855592388
Energy: 0.9155750952461398
Energy: 0.9417075855592388
Energy: 0.9848285033314561
Energy: 0.8605441582014591
Energy: 0.9848285033314561
Energy: 0.8605441582008891
Energy: 0.9848285033308863
Energy: 0.8605441582014591
Energy: 0.8601729092583361
Energy: 1.2175431680124154
Energy: 0.8601729092589061
Energy: 1.2175431680118454
Energy: 0.8601729092589061
Energy: 1.2175431680112756
Energy: 1.1736954080070057
Energy: 1.2196527755502524
Energy: 1.1736954080064355
Energy: 1.2196527755496824
Energy: 1.1736954080070057
Energy: 1.2196527755496824
Energy: 0.9420347093703977
Energy: 0.9044514236317813
Energy: 0.9420347093703977
Energy: 0.9044514236312113
Energy: 0.9420347093703977
Energy: 0.9044514236317813
Energy: 1.1736878638622694
Energy: 1.219782171944552
Energy: 1.1736878638605597
Energy: 1.219782171944552
Energy: 1.17368786385942
Energy: 1.2197821719439819
Energy: 0.860134191581962
Energy: 1.2176358427172937
Energy: 0.860134191581962
Energy: 1.2176358427190035
Energy: 0.860134191581962
Energy: 1.2176358427207135
Energy: 0.9851110724695173
Energy: 0.8605535879589628
Energy: 0.9851110724700873
Energy: 0.8605535879595325
Energy: 0.9851110724683775
Energy: 0.8605535879589628
Energy: 0.9155796215518323
Energy: 0.9419333705895694
Energy: 0.9155796215529723
Energy: 0.9419333705895694
Energy: 0.9155796215489826
Energy: 0.9419333705895694
Energy: 0.9155750952461398
Energy: 0.9417075855592388
Energy: 0.9155750952461398
Energy: 0.9417075855592388
Energy: 0.9155750952455698
Energy: 0.9417075855592388
Energy: 0.9848285033297464
Energy: 0.860544158202599
Energy: 0.9848285033303165
Energy: 0.8605441582014591
Energy: 0.9848285033303165
Energy: 0.8605441582014591
Energy: 0.8601729092583361
Energy: 1.2175431680124154
Energy: 0.8601729092583361
Energy: 1.2175431680129853
Energy: 0.8601729092589061
Energy: 1.2175431680112756
Energy: 1.1736954080081454
Energy: 1.2196527755496824
Energy: 1.1736954080058657
Energy: 1.2196527755491124
Energy: 1.1736954080070057
Energy: 1.2196527755496824
Energy: 0.9420347093703977
Energy: 0.9044514236306415
Energy: 0.9420347093703977
Energy: 0.9044514236312113
Energy: 0.9420347093698277
Energy: 0.9044514236306415
Energy: 1.1736878638622694
Energy: 1.2197821719456918
Energy: 1.1736878638616997
Energy: 1.2197821719451218
Energy: 1.1736878638599897
Energy: 1.219782171944552
Energy: 0.860134191581962
Energy: 1.2176358427184337
Energy: 0.860134191581962
Energy: 1.2176358427178635
Energy: 0.860134191581962
Energy: 1.2176358427190035
Energy: 0.9851110724695173
Energy: 0.8605535879595325
Energy: 0.9851110724700873
Energy: 0.8605535879589628
Energy: 0.9851110724706573
Energy: 0.8605535879589628
Energy: 0.9155796215524024
Energy: 0.9419333705895694
Energy: 0.9155796215518323
Energy: 0.9419333705895694
Energy: 0.9155796215529723
Energy: 0.9419333705895694
Energy: 0.9155750952455698
Energy: 0.9417075855592388
Energy: 0.9155750952467098
Energy: 0.9417075855592388
Energy: 0.9155750952461398
Energy: 0.9417075855592388
Energy: 0.9848285033320262
Energy: 0.8605441582014591
Energy: 0.9848285033320262
Energy: 0.8605441582014591
Energy: 0.9848285033314561
Energy: 0.8605441582020291
Energy: 0.8601729092583361
Energy: 1.2175431680124154
Energy: 0.8601729092583361
Energy: 1.2175431680118454
Energy: 0.8601729092589061
Energy: 1.2175431680118454
Energy: 1.1736954080075754
Energy: 1.2196527755496824
Energy: 1.1736954080070057
Energy: 1.2196527755491124
Energy: 1.1736954080075754
Energy: 1.2196527755496824
Energy: 0.9420347093715375
Energy: 0.9044514236312113
Energy: 0.9420347093703977
Energy: 0.9044514236312113
Energy: 0.9420347093698277
Energy: 0.9044514236300715
Energy: 1.1736878638611297
Energy: 1.2197821719451218
Energy: 1.1736878638611297
Energy: 1.2197821719451218
Energy: 1.1736878638611297
Energy: 1.2197821719451218
Energy: 0.860134191581962
Energy: 1.2176358427172937
Energy: 0.860134191581392
Energy: 1.2176358427167238
Energy: 0.860134191581962
Energy: 1.2176358427195735

minimum gb energy = 0.860134191581392 eV
minimum distance =  2.34591260189064 Angstroms
sigma value = 27


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

Energy: 0.9330058055252427
Energy: 0.8894284803157109
Energy: 0.9330058055252427
Energy: 0.8894284803157109
Energy: 0.9330058055252427
Energy: 0.8894284803157109
Energy: 1.0587250099811403
Energy: 0.9389060540861535
Energy: 1.058725009978348
Energy: 0.9389060540861535
Energy: 1.058725009978348
Energy: 0.9389060540847576
Energy: 0.9137164108812543
Energy: 1.0524170183036035
Energy: 0.9137164108617094
Energy: 1.0524170183049997
Energy: 0.9137164099379226
Energy: 1.0524170183022075
Energy: 1.0988640341072962
Energy: 0.8663660186158972
Energy: 1.0988640341072962
Energy: 0.8663660186158972
Energy: 1.0988640341072962
Energy: 0.8663660186158972
Energy: 1.0974785145407249
Energy: 0.8662684065596985
Energy: 1.0974785145393289
Energy: 0.8662684065610946
Energy: 1.0974785145393289
Energy: 0.8662684065596985
Energy: 1.1121771279226311
Energy: 1.1642750509654682
Energy: 1.112177127919839
Energy: 1.164275050846834
Energy: 1.1121771279128585
Energy: 1.1642750504449555
Energy: 1.0309016364888355
Energy: 0.9426858722625192
Energy: 1.0309016364888355
Energy: 0.9426858722625192
Energy: 1.0309016364888355
Energy: 0.9426858722639151
Energy: 0.9221888122533808
Energy: 0.888623144855531
Energy: 0.9221888122533808
Energy: 0.888623144855531
Energy: 0.9221888122533808
Energy: 0.888623144855531
Energy: 1.0878861211575943
Energy: 0.9139524140621619
Energy: 1.0878861211561983
Energy: 0.9139524781427055
Energy: 1.0878861211561983
Energy: 0.9139525202574582
Energy: 1.0292333991675768
Energy: 1.1353248658891186
Energy: 1.0292333991675768
Energy: 1.135324865876554
Energy: 1.0292333991675768
Energy: 1.1353248658444444
Energy: 0.8878786763885851
Energy: 0.8693190131062891
Energy: 0.887878676387189
Energy: 0.8693190131062891
Energy: 0.887878676387189
Energy: 0.8693190131062891
Energy: 1.1621072018102854
Energy: 1.064445786315974
Energy: 1.1621072018102854
Energy: 1.0644457863201624
Energy: 1.1621072018102854
Energy: 1.0644457863089938

minimum gb energy = 0.8662684065596985 eV
minimum distance =  2.34484234367387 Angstroms
sigma value = 9


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

Energy: 1.021262795627011
Energy: 0.9086313700230615
Energy: 1.0212627956274032
Energy: 0.9086313700242382
Energy: 1.0212627956274032
Energy: 0.9086313700230615
Energy: 1.1129636928129698
Energy: 0.8638385186758816
Energy: 1.1129636921872044
Energy: 0.8638385186758816
Energy: 1.1129636886168692
Energy: 0.8638385186758816
Energy: 0.8063862767176513
Energy: 1.1036354190945046
Energy: 0.8063862767184358
Energy: 1.1036354190956812
Energy: 0.8063862767168668
Energy: 1.103635419096858
Energy: 0.8615392230421688
Energy: 0.8131276220576056
Energy: 0.8615392230429535
Energy: 0.8131276220579978
Energy: 0.8615392230429535
Energy: 0.8131276220583901
Energy: 0.8616874547341433
Energy: 0.8752472450602091
Energy: 0.8616874547329665
Energy: 0.8752472450598168
Energy: 0.8616874547349278
Energy: 0.8752472450606014
Energy: 0.9418247782174022
Energy: 0.7456916000172686
Energy: 0.9418247694863576
Energy: 0.7456131160733601
Energy: 0.9418247490946399
Energy: 0.7456776747679529
Energy: 0.9017989064149883
Energy: 0.905590138574802
Energy: 0.9017989062306964
Energy: 0.9055901385355757
Energy: 0.9017989045964606
Energy: 0.9055901383073862
Energy: 0.796304575077308
Energy: 0.927394544546188
Energy: 0.7963045750780924
Energy: 0.9273945445465804
Energy: 0.7963045750777001
Energy: 0.9273945445457958
Energy: 1.0484342872452461
Energy: 0.8767338405754661
Energy: 1.0484342869343248
Energy: 0.876733840575074
Energy: 1.0484342849699826
Energy: 0.8767338405754661
Energy: 0.8938880124243982
Energy: 1.0591095097218393
Energy: 0.8938880115978658
Energy: 1.0591095097226233
Energy: 0.8938880076852282
Energy: 1.0591095097222312
Energy: 0.857753592770102
Energy: 0.8223249725079116
Energy: 0.8577535927712788
Energy: 0.8223249725075193
Energy: 0.8577535927712788
Energy: 0.8223249725075193
Energy: 0.8248727092052534
Energy: 1.0022045263091168
Energy: 0.8248727092056457
Energy: 1.0022045263087247
Energy: 0.8248727092052534
Energy: 1.0022045263032329
Energy: 0.7540480079207967
Energy: 0.9140573567888172
Energy: 0.7538294966240576
Energy: 0.9140573565104535
Energy: 0.7591765321455176
Energy: 0.914057355563176
Energy: 1.0127117941791148
Energy: 1.1706538521246619
Energy: 1.0127117941061898
Energy: 1.1706538521293688
Energy: 1.0127117940152204
Energy: 1.1706538521317225
Energy: 0.8368562584479141
Energy: 0.9110481971875921
Energy: 0.8368562584455607
Energy: 0.9110481971887688
Energy: 0.8368562584463451
Energy: 0.9110481971868075
Energy: 0.7601194377909083
Energy: 0.9036020648075717
Energy: 0.7596233852701891
Energy: 0.9036020712417426
Energy: 0.7598778932903368
Energy: 0.9036020249855352
Energy: 1.0865197866676388
Energy: 1.0229555253687301
Energy: 1.0865197866656775
Energy: 1.0229555253173794
Energy: 1.08651978666607
Energy: 1.0229555250605549
Energy: 0.8521224984048823
Energy: 0.8500563236936197
Energy: 0.8521224984052745
Energy: 0.8500563236932273
Energy: 0.8521224984056668
Energy: 0.8500563236936197
Energy: 0.7979045551078224
Energy: 1.1170519320736587
Energy: 0.797904555108999
Energy: 1.1170519320713053
Energy: 0.7979045551082145
Energy: 1.1170519320713053
Energy: 1.0574819271185585
Energy: 0.792576548194754
Energy: 1.0574819271205198
Energy: 0.7925765481943616
Energy: 1.0574819271189508
Energy: 0.7925765481955384
Energy: 0.7979277936553123
Energy: 1.1169508429398136
Energy: 0.7979277936557044
Energy: 1.116950842938637
Energy: 0.7979277936557044
Energy: 1.1169508429441288
Energy: 0.8521261891733286
Energy: 0.8512240178193056
Energy: 0.8521261891741131
Energy: 0.8512240178185209
Energy: 0.8521261891733286
Energy: 0.8512240178193056
Energy: 1.0865246773350936
Energy: 1.0230141227793328
Energy: 1.0865246773347013
Energy: 1.0230141225146627
Energy: 1.0865246773354857
Energy: 1.0230141216599231
Energy: 0.7613506881457964
Energy: 0.9983915613550144
Energy: 0.7593283409501956
Energy: 0.9983915607637324
Energy: 0.7592224779935169
Energy: 0.9983915589264117
Energy: 0.8368973735741199
Energy: 0.9092383822399668
Energy: 0.8368973735717662
Energy: 0.9092383822380057
Energy: 0.8368973735721585
Energy: 0.9092383822383978
Energy: 1.0131737159205574
Energy: 0.938909025815091
Energy: 1.0131737158993754
Energy: 0.938909025815091
Energy: 1.0131737158260579
Energy: 0.9389090258154831
Energy: 0.7598482515819489
Energy: 0.9137959989165935
Energy: 0.759373901493778
Energy: 0.9137959986789895
Energy: 0.7596178066399569
Energy: 0.9137959963876431
Energy: 0.824882877980804
Energy: 0.9273818027634083
Energy: 0.824882877980804
Energy: 0.927381801889448
Energy: 0.824882877980804
Energy: 0.9273817973466946
Energy: 0.8577207798867788
Energy: 0.8223721237477319
Energy: 0.8577207798875631
Energy: 0.8223721237453783
Energy: 0.8577207798859942
Energy: 0.8223721237457705
Energy: 0.8941304956638616
Energy: 1.1081305351454112
Energy: 0.8941304960881109
Energy: 1.1081305351461956
Energy: 0.8941304955646904
Energy: 1.1081305351442343
Energy: 1.048637151016622
Energy: 0.8759464448500084
Energy: 1.0486371515553405
Energy: 0.8759464448496163
Energy: 1.0486371512204913
Energy: 0.8759464448500084
Energy: 0.7963772790536793
Energy: 0.9273078459546262
Energy: 0.796377279053287
Energy: 0.9273078459550185
Energy: 0.7963772790540716
Energy: 0.9273078459550185
Energy: 0.9018591061316146
Energy: 0.9054019352599072
Energy: 0.9018591031756689
Energy: 0.905401935366959
Energy: 0.9018591001581736
Energy: 0.9054019351787446
Energy: 0.9415184684600356
Energy: 0.7621829775254217
Energy: 0.9415184493174947
Energy: 0.6600566739407582
Energy: 0.9415184237082611
Energy: 0.7749560073510368
Energy: 0.8621659286344567
Energy: 0.8746346917350246
Energy: 0.86216592863328
Energy: 0.8746346917350246
Energy: 0.8621659286359902
Energy: 0.8746346917350246
Energy: 0.8614665238237603
Energy: 0.81300303129735
Energy: 0.8614665238234038
Energy: 0.8130030312961732
Energy: 0.8614665238234038
Energy: 0.8130030312977423
Energy: 0.8061702182919765
Energy: 1.1027391491945637
Energy: 0.8061702182923689
Energy: 1.1027391491988787
Energy: 0.8061702182919765
Energy: 1.1027391491977019
Energy: 1.1131229568475671
Energy: 0.9352067757996473
Energy: 1.1131229577991595
Energy: 0.9352067757996473
Energy: 1.1131229562778597
Energy: 0.935206775799255
Energy: 1.021262795628188
Energy: 0.9086313700238459
Energy: 1.0212627956289724
Energy: 0.9086313700250226
Energy: 1.0212627956277955
Energy: 0.908631370025415
Energy: 1.1129636913132444
Energy: 0.8638385186754892
Energy: 1.1129636907301999
Energy: 0.8638385186754892
Energy: 1.1129636864097876
Energy: 0.8638385186754892
Energy: 0.8063862767200048
Energy: 1.103635419095289
Energy: 0.8063862767192204
Energy: 1.1036354190948967
Energy: 0.806386276718828
Energy: 1.1036354190960733
Energy: 0.861539223042561
Energy: 0.8131276220576056
Energy: 0.8615392230441302
Energy: 0.8131276220576056
Energy: 0.861539223042561
Energy: 0.8131276220576056
Energy: 0.86168745473532
Energy: 0.8752472450613858
Energy: 0.8616874547345356
Energy: 0.8752472450613858
Energy: 0.8616874547349278
Energy: 0.8752472450613858

minimum gb energy = 0.6600566739407582 eV
minimum distance =  2.37374981005472 Angstroms
sigma value = 57


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

Energy: 0.6803180670431446
Energy: 0.6552095377141198
Energy: 0.5161385192485335
Energy: 0.6552095377141198
Energy: 0.6803180670431446
Energy: 0.6552095377141198
Energy: 0.7010577115610551
Energy: 0.5486391275194725
Energy: 0.7010577115610551
Energy: 0.5486391275569351
Energy: 0.701057711561948
Energy: 0.5486391275212583
Energy: 0.6772991751558509
Energy: 0.8303239618172144
Energy: 0.6772991751558509
Energy: 0.830323961873469
Energy: 0.6772991751558509
Energy: 0.8303239620242931
Energy: 0.656829945875954
Energy: 0.5222405557881473
Energy: 0.656829945876847
Energy: 0.5222405557881473
Energy: 0.6568299458777398
Energy: 0.5222405557899333
Energy: 0.5663293962897704
Energy: 0.7011738285265171
Energy: 0.5663293962906634
Energy: 0.7011738285265171
Energy: 0.5663293962897704
Energy: 0.7011738285265171
Energy: 0.5155589710503045
Energy: 0.6788781962590759
Energy: 0.5155589710503045
Energy: 0.6788781962599688
Energy: 0.5155589710503045
Energy: 0.6788781962599688
Energy: 0.5156965076643021
Energy: 0.5443235138690279
Energy: 0.515696507665195
Energy: 0.5443235138690279
Energy: 0.5156965076643021
Energy: 0.544323513868135
Energy: 0.7001432196412237
Energy: 0.5663096769558935
Energy: 0.7001432196412237
Energy: 0.5663096769567865
Energy: 0.7001432196412237
Energy: 0.5663096769567865
Energy: 0.6567468239970878
Energy: 0.5221546695468554
Energy: 0.6567468239970878
Energy: 0.5221546695468554
Energy: 0.6567468239970878
Energy: 0.5221546695468554
Energy: 0.5427446770392815
Energy: 0.74005673783435
Energy: 0.5427446770383885
Energy: 0.740056737833457
Energy: 0.5427446770392815
Energy: 0.7400567378316713
Energy: 0.5655703752695389
Energy: 0.6495597925266188
Energy: 0.565570375268646
Energy: 0.6495597925257258
Energy: 0.5655703752695389
Energy: 0.6495597925266188
Energy: 0.6803180670431446
Energy: 0.655209537712334
Energy: 0.5161385192485335
Energy: 0.655209537712334
Energy: 0.6803180670422516
Energy: 0.6552095377132269
Energy: 0.701057711561948
Energy: 0.5486391275221513
Energy: 0.7010577115610551
Energy: 0.5486391275605067
Energy: 0.701057711561948
Energy: 0.5486391275203655
Energy: 0.6772991751567439
Energy: 0.830323962430414
Energy: 0.6772991751567439
Energy: 0.8303239624259493
Energy: 0.6772991751567439
Energy: 0.8303239624768057
Energy: 0.656829945875954
Energy: 0.5222405557872545
Energy: 0.656829945876847
Energy: 0.5222405557872545
Energy: 0.656829945875954
Energy: 0.5222405557908262
Energy: 0.5663293962897704
Energy: 0.7011738285265171
Energy: 0.5663293962897704
Energy: 0.70117382852741
Energy: 0.5663293962897704
Energy: 0.70117382852741
Energy: 0.5155589710485186
Energy: 0.6788781962590759
Energy: 0.5155589710476257
Energy: 0.6788781962590759
Energy: 0.5155589710485186
Energy: 0.6788781962590759
Energy: 0.5156965076634091
Energy: 0.5443235138699208
Energy: 0.515696507665195
Energy: 0.5443235138699208
Energy: 0.5156965076634091
Energy: 0.5443235138690279
Energy: 0.7001432196403308
Energy: 0.5663096769558935
Energy: 0.7001432196421167
Energy: 0.5663096769567865
Energy: 0.7001432196403308
Energy: 0.5663096769567865

minimum gb energy = 0.5155589710476257 eV
minimum distance =  2.4919430241055 Angstroms
sigma value = 11


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

Energy: 0.7304275967932609
Energy: 0.9685602351881041
Energy: 0.7304275967906446
Energy: 0.9685602351887582
Energy: 0.7304275967906446
Energy: 0.9685602351881041
Energy: 0.9134357843783335
Energy: 0.9077033984034902
Energy: 0.9134357843770253
Energy: 0.9077033984034902
Energy: 0.9134357843776794
Energy: 0.9077033984041443
Energy: 0.9429068700326383
Energy: 1.2166215203714716
Energy: 0.9429068700332923
Energy: 1.216621517588203
Energy: 0.9429068700332923
Energy: 1.2166215135764953
Energy: 1.0758042124847145
Energy: 0.6918357974933094
Energy: 1.0758042124860225
Energy: 0.6918357974926552
Energy: 1.0758042124866767
Energy: 0.6918357974933094
Energy: 0.8827451044376353
Energy: 0.6803635799077518
Energy: 0.8827451044363273
Energy: 0.6803635799077518
Energy: 0.8827451044376353
Energy: 0.6803635799070977
Energy: 0.8402902379452247
Energy: 0.7839428585965098
Energy: 0.8402902379452247
Energy: 0.7839428585919311
Energy: 0.8402902379439167
Energy: 0.783942858589969
Energy: 0.6634987662851729
Energy: 0.9887807391723656
Energy: 0.6634987662845189
Energy: 0.9887807381616194
Energy: 0.6634987662845189
Energy: 0.9887807364303641
Energy: 0.9697206631829598
Energy: 0.6522669939892641
Energy: 0.9697206631809975
Energy: 0.65226699398861
Energy: 0.9697206631823057
Energy: 0.65226699398861
Energy: 0.932813172521749
Energy: 0.6567624836558099
Energy: 0.9328131725210949
Energy: 0.6567624836558099
Energy: 0.932813172521749
Energy: 0.6567624836564641
Energy: 0.6616872027277345
Energy: 1.2086420690201933
Energy: 0.6616872027270804
Energy: 1.2086420690208475
Energy: 0.6616872027277345
Energy: 1.2086420690201933
Energy: 0.8408173282020377
Energy: 0.9425332919566641
Energy: 0.8408173282026918
Energy: 0.9425332919586265
Energy: 0.8408173282007295
Energy: 0.9425332919579723
Energy: 0.8835755855087393
Energy: 0.6846565892275345
Energy: 0.8835755855093934
Energy: 0.6846565892275345
Energy: 0.8835755855087393
Energy: 0.6846565892268803
Energy: 0.9766384762891442
Energy: 0.6967640121230952
Energy: 0.9766384762878362
Energy: 0.6967640121217871
Energy: 0.9766384762884903
Energy: 0.6967640121224411
Energy: 1.0431005399562405
Energy: 1.2541653004398652
Energy: 1.0431005399555866
Energy: 1.2541653004405195
Energy: 1.0431005399562405
Energy: 1.2541653004418276
Energy: 0.9120963001266674
Energy: 0.9063674088531852
Energy: 0.9120963001279756
Energy: 0.9063674088531852
Energy: 0.9120963001279756
Energy: 0.9063674088531852
Energy: 0.7008962193609569
Energy: 0.9335680468497742
Energy: 0.7008962193603028
Energy: 0.9335680468504283
Energy: 0.7008962193596486
Energy: 0.9335680468497742
Energy: 0.834077977112864
Energy: 0.9096138096570531
Energy: 0.8340779771154803
Energy: 0.9096138096563989
Energy: 0.8340779771154803
Energy: 0.9096138096570531
Energy: 1.24454678750593
Energy: 1.216199835517921
Energy: 1.2445467875052758
Energy: 1.216199835518575
Energy: 1.2445467875052758
Energy: 1.216199835518575
Energy: 0.942574384567461
Energy: 0.6881790040479944
Energy: 0.9425743845628825
Energy: 0.6881790040486485
Energy: 0.9425743845648447
Energy: 0.6881790040473403
Energy: 0.8837804368786615
Energy: 0.8283568844065974
Energy: 0.8837804368786615
Energy: 0.8283568844065974
Energy: 0.8837804368786615
Energy: 0.8283568844072514
Energy: 0.664124925394729
Energy: 0.9641947314431657
Energy: 0.664124925395383
Energy: 0.9641947314431657
Energy: 0.664124925394729
Energy: 0.9641947314431657
Energy: 0.9120682316959915
Energy: 1.0427205764197471
Energy: 0.9120682316959915
Energy: 1.0427205764210552
Energy: 0.9120682316946832
Energy: 1.0427205764204013
Energy: 1.015585880966376
Energy: 0.8247026915717949
Energy: 1.015585880966376
Energy: 0.8247026915717949
Energy: 1.015585880966376
Energy: 0.8247026915724488
Energy: 0.933668135312323
Energy: 0.7815203771631555
Energy: 0.933668135312977
Energy: 0.7815203771625016
Energy: 0.933668135312977
Energy: 0.7815203771644638
Energy: 0.6642087808611474
Energy: 1.148231785242278
Energy: 0.6642087808604933
Energy: 1.148231785242932
Energy: 0.6642087808604933
Energy: 1.148231785241624
Energy: 1.344569511685752
Energy: 0.943203830991409
Energy: 1.3445695116837895
Energy: 0.9432038309920631
Energy: 1.3445695116831353
Energy: 0.9432038309927171

minimum gb energy = 0.65226699398861 eV
minimum distance =  2.38487820769525 Angstroms
sigma value = 41


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

Energy: 0.806678417875364
Energy: 0.740560823741622
Energy: 0.806678417875364
Energy: 0.740560823741622
Energy: 0.806678417875364
Energy: 0.7405608237421375
Energy: 0.9767417741851273
Energy: 1.0776241088003515
Energy: 0.9767417741732699
Energy: 1.077624108800867
Energy: 0.9767417741505864
Energy: 1.077624108800867
Energy: 1.068902938820031
Energy: 1.4556387671130988
Energy: 1.068902938820031
Energy: 1.4556387671136144
Energy: 1.068902938820031
Energy: 1.4556387671125832
Energy: 0.9540194438030735
Energy: 0.7164222861176005
Energy: 0.9540194438020425
Energy: 0.7164222861170849
Energy: 0.954019443803589
Energy: 0.7164222861176005
Energy: 0.7188458528655787
Energy: 0.7707145208823117
Energy: 0.7188458528645476
Energy: 0.7707145208823117
Energy: 0.7188458528650631
Energy: 0.7707145208823117
Energy: 0.9642503012910538
Energy: 1.21160878035506
Energy: 0.9642503012910538
Energy: 1.21160878035506
Energy: 0.9642503012910538
Energy: 1.21160878035506
Energy: 0.7102092864310396
Energy: 1.1496643386483374
Energy: 0.7102092864310396
Energy: 1.1496643386467909
Energy: 0.7102092864315551
Energy: 1.1496643386483374
Energy: 0.6925475702970176
Energy: 0.7163488080467459
Energy: 0.6925475702975332
Energy: 0.7163488080472615
Energy: 0.6925475702975332
Energy: 0.7163488080462304
Energy: 0.7252997918031941
Energy: 0.7692567147008639
Energy: 0.7252997918037098
Energy: 0.7692567147008639
Energy: 0.7252997918031941
Energy: 0.7692567147008639
Energy: 0.7433227081238727
Energy: 1.0764826980879736
Energy: 0.7433227081238727
Energy: 1.076482698087458
Energy: 0.7433227081238727
Energy: 1.0764826980967377
Energy: 0.7492371168868752
Energy: 1.2585208815964584
Energy: 0.7492371168873906
Energy: 1.2585208815954274
Energy: 0.7492371168889372
Energy: 1.2585208815954274
Energy: 0.689512530799752
Energy: 0.9199872201184796
Energy: 0.6895125307992365
Energy: 0.9199872201179641
Energy: 0.689512530800783
Energy: 0.9199872201189951
Energy: 0.6936576577712075
Energy: 0.7156632310083064
Energy: 0.6936576577691922
Energy: 0.7156632310072754
Energy: 0.6936576577691922
Energy: 0.7156632310057287
Energy: 0.678782772020109
Energy: 1.2700629846984102
Energy: 0.678782772020109
Energy: 1.2700629846994411
Energy: 0.678782772020109
Energy: 1.2700629846973788
Energy: 1.0643779587363538
Energy: 1.2607314856954348
Energy: 1.0643779587368694
Energy: 1.2607314856959502
Energy: 1.0643779587368694
Energy: 1.2607314856959502
Energy: 0.673148374897763
Energy: 0.9627472902367085
Energy: 0.6731483748982785
Energy: 0.9627472902367085
Energy: 0.6731483748972474
Energy: 0.962747290237224
Energy: 0.6986618843403286
Energy: 0.7159657303424876
Energy: 0.6986618843403286
Energy: 0.7159657303435187
Energy: 0.6986618843403286
Energy: 0.7159657303450653
Energy: 1.0016220407162246
Energy: 1.4657890250570993
Energy: 1.0016220407157093
Energy: 1.4657890250570993
Energy: 1.0016220407157093
Energy: 1.4657890250570993
Energy: 0.9774647828313408
Energy: 1.11057190565958
Energy: 0.9774647828303097
Energy: 1.11057190565958
Energy: 0.9774647828303097
Energy: 1.11057190565958
Energy: 0.7435375445064831
Energy: 0.9843628467486883
Energy: 0.7435375445064831
Energy: 0.8595489244160309
Energy: 0.7435375445054522
Energy: 0.8595489244180928
Energy: 0.7036059948910716
Energy: 1.0834291868530426
Energy: 0.7036059948931338
Energy: 1.0834291868535582
Energy: 0.7036059948926182
Energy: 1.0834291868535582
Energy: 1.0483879831294582
Energy: 1.3332833028711062
Energy: 1.0483879831294582
Energy: 1.3332833028721371
Energy: 1.0483879831294582
Energy: 1.3332833028721371
Energy: 0.9007005452889021
Energy: 0.7230395853919389
Energy: 0.9007005452883867
Energy: 0.7230395853919389
Energy: 0.9007005452883867
Energy: 0.7230395853919389
Energy: 0.6723609955593867
Energy: 1.0067320404298372
Energy: 0.6723609955588712
Energy: 1.0067320404293219
Energy: 0.6723609955599023
Energy: 1.0637457891336113
Energy: 0.6716209856030464
Energy: 1.1672863062056624
Energy: 0.6716209856025309
Energy: 1.1672863062056624
Energy: 0.6716209856030464
Energy: 1.1672863062056624
Energy: 0.8934156841611224
Energy: 0.7105344645811135
Energy: 0.8934156841611224
Energy: 0.7105344645811135
Energy: 0.8934156841606067
Energy: 0.7105344645811135
Energy: 0.6922267570665125
Energy: 0.7228505576913319
Energy: 0.6922267570659969
Energy: 0.7228505576913319
Energy: 0.6922267570654813
Energy: 0.7228505576913319
Energy: 0.7253666120127976
Energy: 0.9661607484301277
Energy: 0.7253666120122821
Energy: 0.966160748430643
Energy: 0.7253666120122821
Energy: 0.9550295948462357
Energy: 0.7427026565244622
Energy: 1.0778299525971542
Energy: 0.7427026565244622
Energy: 1.0778299525971542
Energy: 0.7427026565254934
Energy: 1.0778299525971542
Energy: 1.1248178000123525
Energy: 0.6753175936171028
Energy: 1.1248178000138993
Energy: 0.6753175936176182
Energy: 1.1248178000138993
Energy: 0.6753175936171028
Energy: 0.700637747883636
Energy: 0.9259927425422068
Energy: 0.7006377478831204
Energy: 0.9259927425422068
Energy: 0.7006377478831204
Energy: 0.9259927425422068
Energy: 0.7288220015089948
Energy: 0.7552467835169236
Energy: 0.7288220015079637
Energy: 0.7552467835169236
Energy: 0.7288220015069327
Energy: 0.7552467835158926
Energy: 0.6721294236170533
Energy: 0.9392077250442621
Energy: 0.6721294236185998
Energy: 0.9392077250442621
Energy: 0.6721294236170533
Energy: 0.9392077250447777

minimum gb energy = 0.6716209856025309 eV
minimum distance =  2.41601185236354 Angstroms
sigma value = 33


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

Energy: 0.818148805942756
Energy: 0.7429277062371742
Energy: 0.8181488059413087
Energy: 0.7429277062364508
Energy: 0.8181488059402561
Energy: 0.7429277062335562
Energy: 1.1132714178822465
Energy: 0.6971429601220922
Energy: 1.113271417881523
Energy: 0.6971429601224869
Energy: 1.1132714178851408
Energy: 0.6971429601217634
Energy: 1.0063280655362306
Energy: 1.2846558666875334
Energy: 1.0063280655401776
Energy: 1.2846558666879282
Energy: 1.0063280655391251
Energy: 1.284655866688652
Energy: 0.956903804479909
Energy: 0.7295342716639324
Energy: 0.9569038044806326
Energy: 0.7295342716645902
Energy: 0.95690380447958
Energy: 0.7295342716632088
Energy: 0.751872851279879
Energy: 1.1269757578717636
Energy: 0.7518728512817209
Energy: 1.1269757578714348
Energy: 0.7518728512795502
Energy: 1.1269757578703163
Energy: 1.0790189499783713
Energy: 0.7497820483582794
Energy: 1.0790189499779768
Energy: 0.7497820483582794
Energy: 1.0790189499779768
Energy: 0.7497820483582794
Energy: 0.7237968398948446
Energy: 0.7885744971130553
Energy: 0.7237968398945156
Energy: 0.7885744971130553
Energy: 0.7237968398948446
Energy: 0.7885744971133842
Energy: 0.7616575553039603
Energy: 0.7525983312514751
Energy: 0.761657555304355
Energy: 0.7525983312482518
Energy: 0.7616575553032368
Energy: 0.752598331250028
Energy: 1.140863976287311
Energy: 0.7746389072858038
Energy: 1.1408639762880346
Energy: 0.7746389072821859
Energy: 1.140863976287311
Energy: 0.7746389072832384
Energy: 1.110722660762234
Energy: 0.7186741915643715
Energy: 1.1107226607632867
Energy: 0.7186741915643715
Energy: 1.1107226607596685
Energy: 0.7186741915647662
Energy: 0.7695826145189533
Energy: 0.7649021096108803
Energy: 0.7695826145192821
Energy: 0.7649021096108803
Energy: 0.7695826145189533
Energy: 0.7649021096112092
Energy: 1.3832285079363067
Energy: 0.7298214101431044
Energy: 1.3832285079359121
Energy: 0.7298214101434334
Energy: 1.3832285079351885
Energy: 0.7298214101416572
Energy: 0.7722262043771819
Energy: 1.142533614633904
Energy: 0.7722262043760634
Energy: 1.142533614633575
Energy: 0.7722262043771819
Energy: 1.142533614633904
Energy: 0.7522500807965438
Energy: 0.7614233951163906
Energy: 0.7522500807958201
Energy: 0.761423395115338
Energy: 0.7522500807943729
Energy: 0.7614233951146144
Energy: 0.767656434206439
Energy: 0.928019618243918
Energy: 0.767656434206439
Energy: 0.928019618243918
Energy: 0.7676564342061102
Energy: 0.928019618243918
Energy: 0.731667314498719
Energy: 1.0851922205747724
Energy: 0.7316673144994427
Energy: 1.0851922205751015
Energy: 0.7316673144932591
Energy: 1.085192220574049
Energy: 1.2633897340042695
Energy: 0.7112388719954026
Energy: 1.263389734003217
Energy: 0.7112388719979023
Energy: 1.2633897340039406
Energy: 0.7112388719990206
Energy: 0.7237267857609213
Energy: 0.9527254104938451
Energy: 0.7237267857601977
Energy: 0.9527254104923978
Energy: 0.7237267857616448
Energy: 0.9527254104931213
Energy: 1.2353757139703436
Energy: 1.0614887117836604
Energy: 1.2353757139688966
Energy: 1.0614887117829366
Energy: 1.2353757139671206
Energy: 1.0614887117829366
Energy: 1.2583225077530547
Energy: 0.7672031553034144
Energy: 1.2583225077527258
Energy: 0.7672031553034144
Energy: 1.2583225077527258
Energy: 0.7672031553055852
Energy: 0.7111341090728713
Energy: 0.8165788676363489
Energy: 0.7111341090772129
Energy: 0.8165788676370724
Energy: 0.7111341090783313
Energy: 0.8165788676352964
Energy: 0.69157804339528
Energy: 1.0186475457150215
Energy: 0.69157804339528
Energy: 1.01864754571614
Energy: 0.6915780433956089
Energy: 1.0186475457150215
Energy: 1.173482294231485
Energy: 1.2256248439277575
Energy: 1.1734822942293142
Energy: 1.2256248439280866
Energy: 1.1734822942318799
Energy: 1.2256248439277575
Energy: 0.7358413172587976
Energy: 0.9444940889515153
Energy: 0.735841317258403
Energy: 0.9444940889515153
Energy: 0.735841317258403
Energy: 0.9444940889536863
Energy: 1.1381450909534574
Energy: 0.7103897195754657
Energy: 1.1381450909537862
Energy: 0.7103897195747421
Energy: 1.1381450909534574
Energy: 0.7103897195780313
Energy: 0.7443179405076116
Energy: 1.073718891067209
Energy: 0.7443179405032698
Energy: 1.073718891067604
Energy: 0.7443179405061643
Energy: 1.0737188910661568
Energy: 1.0143824784688185
Energy: 0.7287454098286581
Energy: 1.0143824784688185
Energy: 0.7287454098293817
Energy: 1.0143824784684234
Energy: 0.7287454098308289
Energy: 0.773332646560558
Energy: 0.7373194261166649
Energy: 0.7733326465608868
Energy: 0.7373194261162702
Energy: 0.7733326465598344
Energy: 0.7373194261162702
Energy: 0.7443019113567458
Energy: 1.1427802832998706
Energy: 0.7443019113147763
Energy: 1.142780283299147
Energy: 0.7443019111303207
Energy: 1.142780283299147
Energy: 0.7131821209106839
Energy: 1.1230761827174232
Energy: 0.7131821209110127
Energy: 1.1230761827181466
Energy: 0.7131821209102891
Energy: 1.1230761827181466
Energy: 0.9485623545422195
Energy: 0.7189304683073984
Energy: 0.9485623545422195
Energy: 0.7189304683073984
Energy: 0.9485623545422195
Energy: 0.7189304683073984
Energy: 0.7363119870665622
Energy: 1.3862857701355604
Energy: 0.7363119870651149
Energy: 1.3862857701355604
Energy: 0.7363119870672858
Energy: 1.3862857701355604
Energy: 1.258867156334932
Energy: 0.7319553950806469
Energy: 1.2588671563356557
Energy: 0.7319553950505842
Energy: 1.2588671563360503
Energy: 0.7319553950053912
Energy: 0.774047423933062
Energy: 0.7738064474582399
Energy: 0.774047423931615
Energy: 0.7738064474585689
Energy: 0.7740474239337857
Energy: 0.7738064474585689
Energy: 0.7736816114015446
Energy: 0.7738097789608888
Energy: 0.7736816114008208
Energy: 0.7738097789608888
Energy: 0.7736816114012155
Energy: 0.7738097789608888
Energy: 1.2581577361956031
Energy: 0.7321669553316358
Energy: 1.2581577361952085
Energy: 0.732166955325518
Energy: 1.2581577361948795
Energy: 0.7321669553230183
Energy: 0.7361665638580411
Energy: 1.386328673439602
Energy: 0.7361665638590936
Energy: 1.386328673439602
Energy: 0.7361665638587648
Energy: 1.386328673439602
Energy: 0.9486147322541159
Energy: 0.719120219298018
Energy: 0.9486147322537211
Energy: 0.7191202192972943
Energy: 0.9486147322537211
Energy: 0.7191202192972943
Energy: 0.7131830976322845
Energy: 1.122951946086073
Energy: 0.7131830976305084
Energy: 1.122951946086073
Energy: 0.7131830976322845
Energy: 1.1229519460867967
Energy: 0.7439876086575564
Energy: 1.1427629414220377
Energy: 0.7439876083100248
Energy: 1.1427629414217086
Energy: 0.7439876077954042
Energy: 1.1427629414220377
Energy: 0.7734025206248224
Energy: 0.7375966083492731
Energy: 0.7734025206226516
Energy: 0.7375966083492731
Energy: 0.7734025206248224
Energy: 0.7375966083499966
Energy: 1.0144294442919075
Energy: 0.7285947595505239
Energy: 1.0144294442944075
Energy: 0.7285947595505239
Energy: 1.014429444287237
Energy: 0.7285947595512475
Energy: 0.7443979291399008
Energy: 1.0737788647650266
Energy: 0.7443979291406244
Energy: 1.073778864764303
Energy: 0.7443979291395718
Energy: 1.0737788647650266
Energy: 1.1380486137072956
Energy: 0.7106341737461781
Energy: 1.1380486137065722
Energy: 0.7106341737414418
Energy: 1.1380486137065722
Energy: 0.7106341737414418
Energy: 0.7358661190268079
Energy: 0.9442287791842278
Energy: 0.7358661190260842
Energy: 0.9442287791863986
Energy: 0.7358661190253607
Energy: 0.9442287791863986
Energy: 1.1735400266530536
Energy: 1.2257463433123765
Energy: 1.1735400266512117
Energy: 1.2257463433127713
Energy: 1.1735400266537772
Energy: 1.2257463433127713
Energy: 0.6915848308610801
Energy: 1.0183386350871728
Energy: 0.6915848308607512
Energy: 1.018338635088225
Energy: 0.6915848308600275
Energy: 1.0183386350893435

minimum gb energy = 0.69157804339528 eV
minimum distance =  2.40484837423047 Angstroms
sigma value = 67


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

Energy: 0.8738655036669565
Energy: 0.7441909533667197
Energy: 0.8738655036664619
Energy: 0.7441909533667197
Energy: 0.8738655036669565
Energy: 0.7441909533667197
Energy: 0.8074980451391199
Energy: 0.6752829331896651
Energy: 0.8074980451369492
Energy: 0.6752829331896651
Energy: 0.8074980451384055
Energy: 0.6752829331896651
Energy: 0.7563647300988849
Energy: 0.897833245588945
Energy: 0.7563647301158113
Energy: 0.897833245588945
Energy: 0.7563647301303197
Energy: 0.897833245588945
Energy: 0.8078632025245094
Energy: 0.6752593102938349
Energy: 0.8078632025240148
Energy: 0.6752593102938349
Energy: 0.8078632025245094
Energy: 0.6752593102938349
Energy: 0.873865503667671
Energy: 0.7441909533667197
Energy: 0.8738655036674235
Energy: 0.7441909533667197
Energy: 0.873865503667671
Energy: 0.7441909533667197
Energy: 0.8074980451417854
Energy: 0.6752829331896651
Energy: 0.8074980451376635
Energy: 0.6752829331920831
Energy: 0.8074980451386253
Energy: 0.6752829331896651
Energy: 0.7563647301085571
Energy: 0.8978332455887252
Energy: 0.7563647301520823
Energy: 0.8978332455887252
Energy: 0.7563647301327378
Energy: 0.8978332455887252

minimum gb energy = 0.6752593102938349 eV
minimum distance =  2.40939821555395 Angstroms
sigma value = 3


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

Energy: 0.9502099098076073
Energy: 0.8773644398617303
Energy: 0.9502099098108979
Energy: 0.8773644398617303
Energy: 0.9502099098076073
Energy: 0.8773644398617303
Energy: 0.9640448946776191
Energy: 0.7522166395929429
Energy: 0.9640448946776191
Energy: 0.7522166395962334
Energy: 0.9640448946809098
Energy: 0.7522166395929429
Energy: 1.0887785527337448
Energy: 0.9481145718755074
Energy: 1.0887785527370353
Energy: 0.9481145718755074
Energy: 1.0887785527337448
Energy: 0.9481145718787978
Energy: 1.0007749395794279
Energy: 0.6788959875671319
Energy: 1.0007749395794279
Energy: 0.593232311286212
Energy: 1.0007749395761374
Energy: 0.5946673831770566
Energy: 0.886716845152958
Energy: 0.6315796723331586
Energy: 0.8867168451562485
Energy: 0.6340633916645019
Energy: 0.8867168451562485
Energy: 0.6292062966374272
Energy: 0.8342885703304413
Energy: 0.7940147344710309
Energy: 0.8342885703271508
Energy: 0.7940147344743212
Energy: 0.8342885703304413
Energy: 0.7940147344743212
Energy: 0.9134360610350595
Energy: 0.94859751977322
Energy: 0.9134360610383501
Energy: 0.948597519766639
Energy: 0.9134360610416405
Energy: 0.94859751977322
Energy: 0.9320396425805727
Energy: 0.5917683293626096
Energy: 0.9320396425772822
Energy: 0.6007311972601397
Energy: 0.9320396425838632
Energy: 0.601111057390751
Energy: 0.846700672343378
Energy: 0.6028241100698645
Energy: 0.846700672343378
Energy: 0.6009683694314876
Energy: 0.846700672343378
Energy: 0.6012780603566665
Energy: 0.6110748473612376
Energy: 0.7944047564494275
Energy: 0.6111682673576564
Energy: 0.794404756446137
Energy: -1.6087465700271417
Energy: 0.7944047564494275
Energy: 0.8460953527079459
Energy: 1.0034537512446526
Energy: 0.8460953527079459
Energy: 1.0034537512413624
Energy: 0.8460953527079459
Energy: 1.0034537512413624
Energy: 0.7847123684544185
Energy: -1.7278095020660973
Energy: 0.7847123684544185
Energy: 0.5709793358253306
Energy: 0.7847123684609996
Energy: 0.5830295214108714
Energy: 0.9106704675501661
Energy: 0.5746751112530976
Energy: 0.8007730513795807
Energy: 0.5797458487714855
Energy: 0.8009631890222959
Energy: 0.600601423329158
Energy: 0.8903047130510598
Energy: 0.9296563285354811
Energy: 0.8903047073608824
Energy: 0.9296563285321906
Energy: 0.8903046964509002
Energy: 0.9296563285321906
Energy: 0.9089309092668593
Energy: 0.8137030195540063
Energy: 0.9089309092635688
Energy: 0.8137030195572968
Energy: 0.9089309092635688
Energy: 0.8137030195540063
Energy: 0.8330908209747842
Energy: 0.8405396741048321
Energy: 0.8330908209714936
Energy: 0.8405396741048321
Energy: 0.8330908209714936
Energy: 0.8405396741015415
Energy: 0.7827614773088282
Energy: 0.7515499750426365
Energy: 0.7856594601952609
Energy: 0.7515499750426365
Energy: 0.7879842909781111
Energy: 0.7515499750459269
Energy: 0.8758440546565313
Energy: 1.114310295506636
Energy: 0.8758440533079949
Energy: 1.1143102955099264
Energy: 0.8758440511207216
Energy: 1.1143102955132171
Energy: 0.9086428182881842
Energy: 0.7093100984648678
Energy: 0.9086428182914745
Energy: 0.7121103769386422
Energy: 0.9086428182848935
Energy: 0.7105666161049029
Energy: 0.784636607848466
Energy: 0.812272914352233
Energy: 0.7846366078451755
Energy: 0.8122729131582938
Energy: 0.784636607848466
Energy: 0.8122729103461108
Energy: 0.792612818101892
Energy: 0.7940672434933276
Energy: 0.7922655996819026
Energy: 0.7940672434933276
Energy: 0.7920685615557795
Energy: 0.7940672434999089
Energy: 0.8100492176667918
Energy: 0.8947916038176414
Energy: 0.8100492176667918
Energy: 0.8947916036696255
Energy: 0.8100492176667918
Energy: 0.8947916038604188
Energy: 0.8079453290950095
Energy: 0.8370454312955485
Energy: 0.807945329302196
Energy: 0.8370454312626429
Energy: 0.8079453296212618
Energy: 0.837045431167276
Energy: 0.7566138901644537
Energy: 0.8140613262026702
Energy: 0.7566138901677443
Energy: 0.8140613261993797
Energy: 0.7566138901611632
Energy: 0.8140613261993797
Energy: 0.7953742851170008
Energy: 0.7938100379449909
Energy: 0.681960466725306
Energy: 0.7938100379417004
Energy: 0.6884365288386842
Energy: 0.7938100379449909
Energy: 0.7834716228995999
Energy: 0.9503968208510813
Energy: 0.7834716228995999
Energy: 0.9503968208510813
Energy: 0.7834716228995999
Energy: 0.9503968208510813
Energy: 0.80930064046188
Energy: 0.8683297502308881
Energy: 0.80930064046188
Energy: 0.8683297497276701
Energy: 0.8093006404651704
Energy: 0.8683297475700117
Energy: 0.888011299732044
Energy: 0.7386738898299781
Energy: 0.8880112989295031
Energy: 0.7386738852515354
Energy: 0.8880112971336883
Energy: 0.7386738760387107
Energy: 0.626288860775265
Energy: 0.751612342541573
Energy: 0.6682063973519702
Energy: 0.751612342541573
Energy: 0.670871734415865
Energy: 0.7516123425481542
Energy: 0.8337599182637051
Energy: 0.8489355503735714
Energy: 0.8337599182702861
Energy: 0.8489355503735714
Energy: 0.8337599182637051
Energy: 0.8489355503735714
Energy: 0.8286758909123159
Energy: 0.8434856377610064
Energy: 0.8286758909090252
Energy: 0.8434856377642967
Energy: 0.8286758909090252
Energy: 0.8434856377610064
Energy: 0.6290683290872205
Energy: 0.7521590647371686
Energy: 0.6235958538676252
Energy: 0.7521590647371686
Energy: 0.6242673260200358
Energy: 0.7521590647371686
Energy: 0.7700428097363337
Energy: 0.6224253595157717
Energy: 0.6752558868083754
Energy: 0.6276904677994934
Energy: 0.7716052213183865
Energy: 0.6204428324541046
Energy: 0.9653419217327045
Energy: 0.8729047735866716
Energy: 0.965341921735995
Energy: 0.8729047667058456
Energy: 0.965341921735995
Energy: 0.8729046633356866
Energy: 0.762645697111764
Energy: 0.947030537897721
Energy: 0.762645697111764
Energy: 0.947030537897721
Energy: 0.762645697111764
Energy: 0.9470305378944306
Energy: 0.9043277828643201
Energy: 0.7946272517058177
Energy: 0.9043270101665005
Energy: 0.7946272517058177
Energy: 0.9043247924733095
Energy: 0.7946272517058177
Energy: 0.757500801393126
Energy: 0.6268131397159403
Energy: 0.7575008013964167
Energy: 0.6286658989392699
Energy: 0.757500801393126
Energy: 0.6269114351161079
Energy: 1.1418973896725895
Energy: 0.8419920500080404
Energy: 1.1418973896725895
Energy: 0.8419920499719041
Energy: 1.1418973896725895
Energy: 0.8419920498469221
Energy: 0.7252322474172741
Energy: 0.8947330473693619
Energy: 0.7252322474238553
Energy: 0.8947330473693619
Energy: 0.7252322474172741
Energy: 0.8947330473693619
Energy: 0.6831041189448769
Energy: 0.7949463794139713
Energy: 0.6708551719769936
Energy: 0.7949463794139713
Energy: 0.6804836245766728
Energy: 0.7949463794139713
Energy: 0.7852197734510213
Energy: 0.6033498457053316
Energy: 0.7852197734510213
Energy: 0.6050016041239231
Energy: 0.785219773460893
Energy: 0.6040872461947283
Energy: 0.9527107435170666
Energy: 0.7754344798094337
Energy: 0.9527107435401005
Energy: 0.7754344798061433
Energy: 0.9527107435433912
Energy: 0.7754344798094337
Energy: 0.6554653348079609
Energy: 1.1133481508441947
Energy: 0.6643056628868922
Energy: 1.1133481508441947
Energy: 0.6662629540176245
Energy: 1.1133481508474854
Energy: 0.6701556516277795
Energy: 0.7521175682485967
Energy: 0.6780444759478746
Energy: 0.7521175682485967
Energy: 0.6787126168619205
Energy: 0.7521175682453061
Energy: 0.8335034353824886
Energy: 0.8807350101718452
Energy: 0.833503435379198
Energy: 0.8807350101718452
Energy: 0.8335034353824886
Energy: 0.8807350101718452
Energy: 0.8940163811587332
Energy: 0.7511564609422552
Energy: 0.8940163811554426
Energy: 0.7511564609422552
Energy: 0.8940163811554426
Energy: 0.7511564609389646
Energy: 0.6770603315269723
Energy: 0.9292420301059489
Energy: 0.5715530109396596
Energy: 0.9292420301059489
Energy: 0.5723789693490829
Energy: 0.9292420301059489
Energy: 0.6744719986531951
Energy: 0.598394063992244
Energy: 0.6721969300833766
Energy: 0.5991765870674312
Energy: 0.6752492640279738
Energy: 0.6019668485261068
Energy: 0.7855017494683662
Energy: 0.5743139597197794
Energy: 0.7855017494716567
Energy: 0.5621435866597686
Energy: 0.7855017494749473
Energy: 0.6005683533926659
Energy: 0.948239258226696
Energy: 0.7942078401750525
Energy: 0.948239258226696
Energy: 0.7942078401717619
Energy: 0.948239258226696
Energy: 0.7942078401684713
Energy: 0.7182806296046012
Energy: 0.7942915332790159
Energy: 0.6059656248186519
Energy: 0.7942915332790159
Energy: 0.6041286648156154
Energy: 0.7942915332757254

minimum gb energy = -1.7278095020660973 eV
minimum distance =  2.39107783069857 Angstroms
sigma value = 81


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

Energy: 0.7682250750537318
Energy: 0.8724469348831184
Energy: 0.7699646184839868
Energy: 0.8724469348813121
Energy: 0.7703404539348727
Energy: 0.8724469348840217
Energy: 0.8709041228293355
Energy: 0.8539750987184328
Energy: 0.8709041228297871
Energy: 0.8539750987166264
Energy: 0.8709041228293355
Energy: 0.8539750987152714
Energy: -0.8742664900643731
Energy: 0.944151491137858
Energy: 0.5919327106516964
Energy: 0.9441514911355998
Energy: 0.5881012093673063
Energy: 0.9441514911365031
Energy: 0.8708326102278412
Energy: 0.8566654538209894
Energy: 0.8708326102278412
Energy: 0.8566489869544177
Energy: 0.8708326102273896
Energy: 0.5744264672114409
Energy: 0.8552576991759416
Energy: 0.8671817729795563
Energy: 0.8552577024401772
Energy: 0.8671817729795563
Energy: 0.8552576813685014
Energy: 0.8671817729795563
Energy: 0.823635223068038
Energy: 0.7949120917391485
Energy: 0.823635223068038
Energy: 0.7949120917373419
Energy: 0.8236352230698446
Energy: 0.7949120917377936
Energy: 0.8567228379716832
Energy: 0.7969442495962629
Energy: 0.8567228379716832
Energy: 0.796944249597166
Energy: 0.8567228379712315
Energy: 0.7969442495967143
Energy: 0.8541173328203947
Energy: 0.8720240430071057
Energy: 0.854117332822201
Energy: 0.8720240430075574
Energy: 0.8541173328235561
Energy: 0.8720240430075574
Energy: 0.9821788690984319
Energy: 0.5641119733649426
Energy: -1.032016368653317
Energy: 0.5755137615983072
Energy: -1.0402934324046311
Energy: 0.6963828819818579
Energy: -1.2875321327529854
Energy: 1.0331646639585714
Energy: 0.5841064486949584
Energy: 1.0331646639572165
Energy: 0.5855641740402019
Energy: 1.0331646639585714
Energy: 0.8728045417852681
Energy: 0.8411445239392105
Energy: 0.8728045421125744
Energy: 0.8411445239401137
Energy: 0.872804539635155
Energy: 0.8411445239392105
Energy: 0.7565158905830153
Energy: 0.6795095201833572
Energy: 0.756515890582112
Energy: 0.678824321596931
Energy: 0.7565158905830153
Energy: 0.5789888283161954
Energy: 0.8748986919998413
Energy: 0.8843471827019299
Energy: 0.8748986919998413
Energy: 0.8843471817467392
Energy: 0.8748986919993897
Energy: 0.8843471784653009
Energy: 0.6631967857082512
Energy: 0.9422664396263979
Energy: 0.6637139738150828
Energy: 0.9422664396259461
Energy: 0.6951874964406811
Energy: 0.9422664396277528
Energy: 0.9111267257602829
Energy: 0.7980970697931931
Energy: 0.9111267257602829
Energy: 0.7980970697936446
Energy: 0.911126725761186
Energy: 0.7980970697936446
Energy: 0.853897491673933
Energy: 0.8631325792453689
Energy: 0.8538974916712232
Energy: 0.8631325792453689
Energy: 0.8538974916712232
Energy: 0.8631325792453689
Energy: -0.8627628944143221
Energy: 0.7963142564688654
Energy: -0.8961874845238553
Energy: 0.7963142564711235
Energy: -0.8936814367133809
Energy: 0.7963142564697686
Energy: 0.7142726975407407
Energy: 1.049330536140382
Energy: 0.7142726975429989
Energy: 1.049330536140382
Energy: 0.7142726975398376
Energy: 1.049330536140382
Energy: 0.9164870944838301
Energy: -0.9505439343301227
Energy: 0.9164870944815721
Energy: -0.9571836762053503
Energy: 0.9164870944833786
Energy: -0.9047204180573737
Energy: -1.1187009184603325
Energy: 0.5691839188574173
Energy: -1.0192942948639774
Energy: 0.5774919161206883
Energy: -1.0778485554156425
Energy: 0.6262360316384883
Energy: 0.8667878091207498
Energy: 0.9237902166728781
Energy: 0.8667878091216531
Energy: 0.923790216674233
Energy: 0.8667878091212016
Energy: 0.923790216674233
Energy: 0.8319781820154429
Energy: 0.8410988930312744
Energy: 0.8319781820158947
Energy: 0.8410988930308229
Energy: 0.8319781820186044
Energy: 0.8410988930312744
Energy: 0.8321928504958059
Energy: 0.8724320776306654
Energy: 0.8321928504971606
Energy: 0.8724320776315686
Energy: 0.8321928504958059
Energy: 0.8724320776320202
Energy: 0.8765788758328623
Energy: 0.8512641231324825
Energy: 0.8765788758328623
Energy: 0.8512641229839382
Energy: 0.8765788758328623
Energy: 0.8512641238723702
Energy: -1.1728832640572007
Energy: 0.5503980227264638
Energy: 0.5774322023912463
Energy: 0.5537051548824454
Energy: 0.575027281520039
Energy: 0.5533004602740583
Energy: 0.9152913442971481
Energy: -1.2182942468445956
Energy: 0.915291344298503
Energy: -1.2414864663568053
Energy: 0.9152913442971481
Energy: 0.6501380415816136
Energy: 0.7152286724199406
Energy: 0.8713234221677204
Energy: 0.715228672418134
Energy: 0.8713234221672687
Energy: 0.7152286724163277
Energy: 0.8713234221672687
Energy: 0.4557606996648275
Energy: 0.7991740839743788
Energy: 0.6827140009077548
Energy: 0.7991740839770886
Energy: 0.46008711000945707
Energy: 0.7991740839770886
Energy: 0.853909262183821
Energy: 0.8753297336049742
Energy: 0.8539092621829178
Energy: 0.8753297336049742
Energy: 0.8539092621824661
Energy: 0.8753297336054258
Energy: 0.947662754865275
Energy: 0.7122072957804102
Energy: 0.9476627548648232
Energy: 0.7122072957149242
Energy: 0.947662754865275
Energy: 0.712207294979101
Energy: 0.8553533880402225
Energy: 0.9093984028410159
Energy: -0.9133668365721334
Energy: 0.9093984028414677
Energy: -0.9402672008175755
Energy: 0.9093984028414677
Energy: 0.8275888503059847
Energy: 0.8506949464439766
Energy: 0.8275888334619056
Energy: 0.8506949468524936
Energy: 0.827588844977363
Energy: 0.8506949465536808
Energy: 0.7563028728842388
Energy: 0.57518794032491
Energy: 0.7563028728828839
Energy: 0.576479655944049
Energy: 0.7563028728833355
Energy: 0.5753665294189108
Energy: 0.9558763525079488
Energy: 0.841551336334635
Energy: 0.9558763525088521
Energy: 0.841551336334635
Energy: 0.9558763525070456
Energy: 0.8415513363341834
Energy: 0.7338914179950632
Energy: 1.0868421634930563
Energy: 0.7338914179919018
Energy: 1.0868421634948628
Energy: 0.7338914180203543
Energy: 1.0868421634944114
Energy: 0.5725222316072681
Energy: -1.0068540463274185
Energy: 0.6141643358998491
Energy: 0.5791078113964603
Energy: 0.7074246244192851
Energy: 0.5804340284710655
Energy: 0.8536127829320466
Energy: 0.8654435859160623
Energy: 0.8536127829324981
Energy: 0.8654435859160623
Energy: 0.8536127829315948
Energy: 0.8654435859156105
Energy: 0.8408484280716362
Energy: 0.7980401255417192
Energy: 0.8408484280720876
Energy: 0.7980401255421709
Energy: 0.8408484280720876
Energy: 0.7980401255417192

minimum gb energy = -1.2875321327529854 eV
minimum distance =  2.40658199102207 Angstroms
sigma value = 43


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

Energy: 1.0711484185553584
Energy: 0.8284086733334172
Energy: 1.0711484185559128
Energy: 0.828408673333972
Energy: 1.0711484185559128
Energy: 0.8284086733323076
Energy: 0.9756919998489946
Energy: 0.767825590301115
Energy: 0.9756919998489946
Energy: 0.7678255903000054
Energy: 0.9756919998484399
Energy: 0.7678255903000054
Energy: 0.9192701555376401
Energy: 1.108601124813142
Energy: 0.9192701545717071
Energy: 1.108601124813142
Energy: 0.9192701516339921
Energy: 1.1086011248125873
Energy: 0.934763417491311
Energy: -0.27380182102442924
Energy: 0.9347634174896468
Energy: -0.34793743842844954
Energy: 0.9347634174907563
Energy: -0.27071732414186817
Energy: 0.9055693741568209
Energy: -0.13978400573577549
Energy: 0.9055693741562663
Energy: -0.16450226965894688
Energy: 0.9055693741568209
Energy: -0.13999043843908782
Energy: 0.6465608587323634
Energy: 0.840566889554189
Energy: 0.6471403000798263
Energy: 0.8405668895547439
Energy: 0.6447920330766335
Energy: 0.8405668895530795
Energy: 0.9208599200245816
Energy: 1.0169293120307714
Energy: 0.9208599200251365
Energy: 1.016929312031326
Energy: 0.9208599200240272
Energy: 1.016929312031326
Energy: 0.8275607136746159
Energy: 0.6855106469763592
Energy: 0.8275607136735065
Energy: 0.685359617880091
Energy: 0.8275607136751706
Energy: 0.6859595263479669
Energy: 0.7137818079829809
Energy: 0.7404335277862026
Energy: 0.7164253161788712
Energy: 0.7404335277867573
Energy: 0.7168926926769211
Energy: 0.740433527787312
Energy: -0.29591681248251017
Energy: 1.0599208209157496
Energy: -0.36119627355526407
Energy: 1.059920820913531
Energy: -0.34981449702806905
Energy: 1.059920820915195
Energy: 0.931630179546604
Energy: 0.7923436893016541
Energy: 0.931630179546604
Energy: 0.7923436893055373
Energy: 0.931630179546604
Energy: 0.7923436892966615
Energy: 0.8275487951473278
Energy: 0.8952011535002923
Energy: 0.827548795146773
Energy: 0.8952006626069222
Energy: 0.8275487951473278
Energy: 0.8951990347804092
Energy: 0.7296998371102775
Energy: 0.8406401232408088
Energy: 0.7358211873112325
Energy: 0.8406401232413636
Energy: 0.7354732558072216
Energy: 0.8406401232424731
Energy: 0.723261235185058
Energy: 0.9860402259274185
Energy: 0.7232612351845034
Energy: 0.9860402259274185
Energy: 0.723261235185058
Energy: 0.986040225927948
Energy: 0.9014763643290674
Energy: 0.5890805037205255
Energy: 0.9014763643296222
Energy: 0.5900539866904589
Energy: 0.9014763643262939
Energy: 0.5893192973926037
Energy: 0.653882268849382
Energy: -0.33936324455873884
Energy: 0.6480775570958914
Energy: -0.2989698630678897
Energy: 0.6549990900046043
Energy: -0.3418380612285058
Energy: 0.6517093890317383
Energy: 0.7706971511518885
Energy: 0.6652310524926929
Energy: 0.7706971511513339
Energy: 0.6655386116463413
Energy: 0.7706971511496696
Energy: 1.0088123699811224
Energy: 0.9398906309051869
Energy: 1.0088123699833413
Energy: 0.9398906309051869
Energy: 1.0088123699822318
Energy: 0.9398906309051869
Energy: 0.8715067217477974
Energy: 0.8349182209315468
Energy: 0.871506721748907
Energy: 0.8349182209298824
Energy: 0.8715067217483522
Energy: 0.8349182209298824
Energy: -0.23188330706543722
Energy: 0.793199813826143
Energy: 0.667632295341161
Energy: 0.793199813826143
Energy: 0.6699126657607403
Energy: 0.7931998138278071
Energy: 0.7291720829331766
Energy: 0.7906909525349279
Energy: 0.7292786393579958
Energy: 0.7906817412992901
Energy: 0.7295331624774518
Energy: 0.7906579406972792
Energy: 1.0102165806612706
Energy: 0.9238203990339998
Energy: 1.010216580660161
Energy: 0.9238203990268133
Energy: 1.0102165806618253
Energy: 0.9238203989774412
Energy: 0.7234204752727268
Energy: 0.9919915900690278
Energy: 0.7234204752743911
Energy: 0.9919915900690278
Energy: 0.7234204752738362
Energy: 0.991991590068473
Energy: 0.736566120578043
Energy: 0.8408748526933398
Energy: 0.7360339650304492
Energy: 0.8408748526944494
Energy: 0.7370449993629589
Energy: 0.8408748526938947
Energy: 0.8272756966525644
Energy: 0.8218210287145812
Energy: 0.8272756966514547
Energy: 0.8218210287162454
Energy: 0.8272756966525644
Energy: 0.8218210287145812
Energy: 0.9865565427840896
Energy: 0.9279575409051047
Energy: 0.9865565427846444
Energy: 0.9279337127950974
Energy: 0.9865565427846444
Energy: -0.710790679775188
Energy: -0.35125984381180836
Energy: 0.88624277211289
Energy: 0.5308133943140525
Energy: 0.8862427721123354
Energy: 0.5338922278784791
Energy: 0.8862427721123354
Energy: 0.6627102962314354
Energy: 0.7404039224267898
Energy: 0.6623933392036647
Energy: 0.7404039224278992
Energy: 0.6636280780610535
Energy: 0.7404039224267898
Energy: 0.8271460764021826
Energy: 0.6851927417538075
Energy: 0.8271460764016278
Energy: 0.6854724453315911
Energy: 0.8271460764016278
Energy: 0.6853372278096704
Energy: 0.911938883237479
Energy: 0.9214532749249288
Energy: 0.911938883237479
Energy: 0.9214532749249288
Energy: 0.9119388832369241
Energy: 0.9214532749254837
Energy: 0.6445468508512407
Energy: 0.8406555808757582
Energy: 0.6461355354570889
Energy: 0.8406555808763128
Energy: 0.6459637029505487
Energy: 0.8406555808757582

minimum gb energy = -0.710790679775188 eV
minimum distance =  2.40590891237903 Angstroms
sigma value = 57


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

Energy: 1.0770815371706364
Energy: 0.890360816001613
Energy: 0.975614514087291
Energy: 0.8903608160023312
Energy: 1.077081537171355
Energy: 0.8903608160023312
Energy: 0.9265695923913464
Energy: -0.19587625556178678
Energy: 0.9159108685040668
Energy: -0.19587625697257272
Energy: 0.9160226672553218
Energy: -0.19587624754151875
Energy: 0.6563281549296635
Energy: 0.9810881647589861
Energy: 0.6659729739913114
Energy: 0.9810881647618591
Energy: -0.21578464085198143
Energy: 0.9810881647611409
Energy: 1.0589452805931678
Energy: 0.6801426563811213
Energy: 1.0589452805924497
Energy: 0.6812330365770604
Energy: 1.0589452805931678
Energy: 0.6791241400994842
Energy: 0.8862051503289272
Energy: -1.2744367577726545
Energy: 0.886205150331082
Energy: -1.413937274886402
Energy: 0.8862051503318003
Energy: 0.5898395361778461
Energy: -0.16422926773277305
Energy: 0.9157256520258734
Energy: -0.16924734995055024
Energy: 0.9157252953204752
Energy: 0.6616927216999108
Energy: 0.9157234798717713
Energy: 0.8505513890786166
Energy: 0.8940377421554115
Energy: 0.8505513329015776
Energy: 0.8940377421546933
Energy: 0.8505511407734978
Energy: 0.8940377421639982
Energy: 0.8502321983108199
Energy: 0.8888014263829918
Energy: 0.8502321983108199
Energy: 0.8888014263801187
Energy: 0.8502321983122564
Energy: 0.8888014263801187
Energy: 0.8854040845581361
Energy: 0.6701739744076172
Energy: 0.8783750392691312
Energy: 0.6701739738526534
Energy: 0.8786598551056882
Energy: 0.6701739747809558
Energy: 0.7200066799603351
Energy: 0.8203478008349157
Energy: 0.7197752182120566
Energy: 0.8203478008341974
Energy: 0.7200066799610533
Energy: 0.8203478008370705
Energy: 0.8480038330103662
Energy: 0.6783195320519605
Energy: 0.8480038330118027
Energy: 0.6817697900231932
Energy: 0.8480038330118027
Energy: 0.6788821920397096
Energy: 0.945792517295036
Energy: 0.6006689698795258
Energy: 0.9457925172964726
Energy: 0.598545110430996
Energy: 0.945792517295036
Energy: 0.6001351597132181
Energy: 0.5852227603801603
Energy: 0.8105829569740143
Energy: 0.6034945995419139
Energy: 0.8105829569725778
Energy: -1.2689071676697
Energy: 0.810582956973296
Energy: 0.918551177791031
Energy: 0.8058285289985313
Energy: 0.7319595441685648
Energy: 0.8058249452412766
Energy: 0.9185511777888761
Energy: 0.7483120678257759
Energy: 0.8355230035505702
Energy: 0.806357610476997
Energy: 0.7263023520844001
Energy: 0.806357528959061
Energy: 0.8355230035491337
Energy: 0.8063573568396487
Energy: 0.8815393025771697
Energy: 0.7100994916276384
Energy: 0.8683462091539116
Energy: 0.7100994916233287
Energy: 0.8684128039505562
Energy: 0.7100994916269201
Energy: 0.7206287823481666
Energy: 0.8200779952437175
Energy: 0.7206747026507545
Energy: 0.8200779952444358
Energy: 0.72062878234673
Energy: 0.8200779952415627
Energy: 0.8477675255089505
Energy: 0.6157178392846976
Energy: 0.8477675255075141
Energy: 0.615717839369421
Energy: 0.8477675255082323
Energy: 0.6157178393162689
Energy: 0.720485343100431
Energy: 0.819665720431737
Energy: 0.720485343097558
Energy: 0.8196657204324552
Energy: 0.7204853430997127
Energy: 0.8196657204324552
Energy: 0.8457257675589844
Energy: 0.9283041924942522
Energy: 0.8457257675589844
Energy: 0.9283041924928156
Energy: 0.8457257675597025
Energy: 0.9283041924928156
Energy: 0.7255826090237185
Energy: 0.7478575248751095
Energy: 0.7255826090244368
Energy: 0.7479130006043928
Energy: 0.7255826090251549
Energy: 0.7481699159047966
Energy: 0.7297907359269805
Energy: 0.8481093537627231
Energy: 0.7297907354782559
Energy: 0.8481093537634413
Energy: 0.7297907357941654
Energy: 0.8481093537634413
Energy: 0.8428834689432
Energy: 0.6613839220945847
Energy: 0.8541431081639832
Energy: 0.6613839605122933
Energy: 0.8901540200539719
Energy: 0.6613838622013977
Energy: 0.9294588159540634
Energy: 0.9811558033946267
Energy: 0.9304556550284083
Energy: 0.9811558145286406
Energy: 0.9294588159547817
Energy: 0.9811558200374999

minimum gb energy = -1.413937274886402 eV
minimum distance =  2.2317320053577 Angstroms
sigma value = 17


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

Energy: 0.9299334876264589
Energy: 0.7254395569373313
Energy: 0.9299334876264589
Energy: 0.725439556938347
Energy: 0.9299334876264589
Energy: 0.725439556938347
Energy: 0.6763140868815732
Energy: 0.7761825467496976
Energy: 0.6763140868815732
Energy: 0.7761825467496976
Energy: 0.6763140868836048
Energy: 0.7761825467507133
Energy: 0.8669761748394849
Energy: 0.8997550304203297
Energy: 0.8669761748171374
Energy: 0.8997550304203297
Energy: 0.8669761747470478
Energy: 0.8997550304203297
Energy: 0.6127772888623962
Energy: 0.6099698892495442
Energy: 0.6127772888634121
Energy: 0.6106016643789732
Energy: 0.6127772888623962
Energy: 0.6147003305405248
Energy: 0.9416261821251102
Energy: 0.6665045954058437
Energy: 0.9416261820225614
Energy: 0.6666683839807647
Energy: 0.941626181619477
Energy: 0.666420247068252
Energy: 0.5606048252581873
Energy: 0.7563146021034531
Energy: 0.5605620264860625
Energy: 0.7563146021044689
Energy: 0.5607215395684847
Energy: 0.7563146021044689
Energy: 0.7238915411636918
Energy: 0.6515591731177395
Energy: 0.7238915408570614
Energy: 0.6515591731146921
Energy: 0.7238915400366713
Energy: 0.6515591731116448
Energy: 0.6125891066065112
Energy: 0.6659387119872286
Energy: 0.6125891066034637
Energy: 0.6663359485422489
Energy: 0.6125891066044795
Energy: 0.6658571289767533
Energy: -0.9952900556613309
Energy: 0.7759550793291561
Energy: -0.9100390566799679
Energy: 0.7759550793281405
Energy: -0.8902213651399727
Energy: 0.7759550793281405
Energy: 0.8041232356953971
Energy: 0.7839581690401303
Energy: 0.8041232356943813
Energy: 0.7839581690401303
Energy: 0.8041232356943813
Energy: 0.7839581690401303
Energy: 0.8107173650933305
Energy: 0.7223002554188003
Energy: 0.8107173650912989
Energy: 0.722300255419816
Energy: 0.8107173650933305
Energy: 0.722300255419816
Energy: 0.5692916941460501
Energy: 0.7788394515135624
Energy: 0.571729932990206
Energy: 0.7788394515135624
Energy: 0.5710071471057756
Energy: 0.7788394515115308
Energy: 0.6061518910664924
Energy: 0.8474658197447995
Energy: 0.6061518910675081
Energy: 0.8474658197447995
Energy: 0.6061518910675081
Energy: 0.8474658197447995
Energy: 0.7733801842939009
Energy: 0.7079473562514509
Energy: 0.7733801842928852
Energy: 0.7079468232282179
Energy: 0.7733801842939009
Energy: 0.7079459368147931
Energy: 0.5098469210480016
Energy: 0.7504970148029718
Energy: 0.5081322836156744
Energy: 0.7504970148029718
Energy: 0.5083124267116162
Energy: 0.7504970148039877
Energy: 0.5156243664741249
Energy: 0.9758106581910246
Energy: 0.5158860332176524
Energy: 0.9758106581920405
Energy: 0.5159356887240454
Energy: 0.9758106581940721
Energy: 0.7718308495343281
Energy: 0.8211142727837728
Energy: 0.7718308495353438
Energy: 0.8211142727837728
Energy: 0.7718308495353438
Energy: 0.8211142727827571

minimum gb energy = -0.9952900556613309 eV
minimum distance =  2.3513585361272 Angstroms
sigma value = 17


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

Energy: 0.6861933887977861
Energy: 0.7526637088879167
Energy: 0.6861933887970015
Energy: 0.7526637088879167
Energy: 0.6861933887958248
Energy: 0.7526637088879167
Energy: 0.6329459641123352
Energy: 0.7034199425686081
Energy: 0.6329459617374724
Energy: 0.703419942570177
Energy: 0.6329459430626865
Energy: 0.7034199425690003
Energy: 0.48306842229611713
Energy: 0.764709748989716
Energy: 0.5405268436016698
Energy: 0.764709748989716
Energy: 0.5403038604280025
Energy: 0.7647097489893236
Energy: 0.678970568661097
Energy: 0.5573997118837215
Energy: 0.6789705686595279
Energy: 0.5574925457538666
Energy: 0.6789705686595279
Energy: 0.5571784579711161
Energy: 0.5016464730133717
Energy: 0.694188231373815
Energy: 0.5002792018442541
Energy: 0.6941882313726383
Energy: 0.5007532911977705
Energy: 0.6941882313753841
Energy: 0.48585208355102255
Energy: 0.6918825830270905
Energy: 0.48430143492468036
Energy: 0.6918825830266983
Energy: 0.48403147550519865
Energy: 0.6918825830270905
Energy: 0.6233758035890268
Energy: 0.7986908133268648
Energy: 0.6233758035796124
Energy: 0.7986908133256879
Energy: 0.6233758035737283
Energy: 0.7986908133268648
Energy: 0.5577142689234279
Energy: 0.8504950281501481
Energy: 0.5079729663337582
Energy: 0.8504950281509328
Energy: 0.5575584376205667
Energy: 0.850495028149756
Energy: 0.516751418603948
Energy: 0.7425200852509766
Energy: 0.5175975016991166
Energy: 0.7425200852517612
Energy: 0.5182482396773566
Energy: 0.7425200852517612
Energy: 0.6237903828919685
Energy: 0.6338075282098717
Energy: 0.623790382898637
Energy: 0.633807528201242
Energy: 0.6237903829013828
Energy: 0.6338075282059491
Energy: 0.6780380897910587
Energy: 0.7764334307285073
Energy: 0.6780380897910587
Energy: 0.7764225619925882
Energy: 0.6780380897918433
Energy: 0.7140751621129907
Energy: 0.5781490755371519
Energy: 0.8006829038027368
Energy: 0.5779428812032029
Energy: 0.8006829038023445
Energy: 0.5780234958158116
Energy: 0.8006829038043058
Energy: 0.7675760034942793
Energy: 0.801786578340819
Energy: 0.7675760034954562
Energy: 0.801786578340819
Energy: 0.7675760034970253
Energy: 0.8017865783412114
Energy: 0.673850394282316
Energy: 0.6697108545728224
Energy: 0.6738503942811392
Energy: 0.6697108545716456
Energy: 0.6738503942815314
Energy: 0.6697108545716456
Energy: 0.5765231226041458
Energy: 0.7355564720896666
Energy: 0.5735493637708396
Energy: 0.7355564720916279
Energy: 0.5737897170865801
Energy: 0.7355564720908434
Energy: 0.6827500679510646
Energy: 0.7190339131751535
Energy: 0.6827500679518491
Energy: 0.7190339131782915
Energy: 0.6827500679510646
Energy: 0.7190339131763303
Energy: 0.703453591617488
Energy: 0.8486088250404366
Energy: 0.703453591615919
Energy: 0.8486088250404366
Energy: 0.703453591616311
Energy: 0.8486088250404366
Energy: 0.91749305891474
Energy: 0.6290670907058284
Energy: 0.9174930589143477
Energy: 0.6290670907058284
Energy: 0.9174930589159167
Energy: 0.6290670907034748
Energy: 0.7971119739180195
Energy: 0.7179163855523144
Energy: 0.7971119739148814
Energy: 0.717916385548784
Energy: 0.7971119739152739
Energy: 0.7179163855534914
Energy: 0.751917507218
Energy: 0.6690712294017482
Energy: 0.7519175072164308
Energy: 0.6690712294017482
Energy: 0.7519175072183921
Energy: 0.6690712294021406
Energy: 0.797182398349041
Energy: 0.7179868252363468
Energy: 0.7971823983502178
Energy: 0.7179868252347776
Energy: 0.7971823983466875
Energy: 0.717986825236739
Energy: 0.49574242335563085
Energy: 0.6288280684849169
Energy: 0.5104440005866384
Energy: 0.6288280684860936
Energy: 0.5103337265808189
Energy: 0.6288280684857015
Energy: 0.7036948062092395
Energy: 0.8485798075738552
Energy: 0.7036948062076704
Energy: 0.8485798075738552
Energy: 0.703694806213162
Energy: 0.8485798075746397
Energy: 0.6827076863269584
Energy: 0.7753744137958222
Energy: 0.6827076863273507
Energy: 0.7753744137958222
Energy: 0.6827076863257816
Energy: 0.7753744137946454
Energy: 0.5734901990840396
Energy: 0.7353764341789267
Energy: 0.5737736573652963
Energy: 0.7353764341816724
Energy: 0.5737502611729183
Energy: 0.7353764341769654
Energy: 0.6736883614046629
Energy: 0.6712209484700178
Energy: 0.6736883614015248
Energy: 0.6712209484700178
Energy: 0.6736883613968175
Energy: 0.6712209484696255
Energy: 0.7673658210687181
Energy: 0.8023072872924879
Energy: 0.7673658210695026
Energy: 0.8023072872928803
Energy: 0.7673658210687181
Energy: 0.8023072872928803
Energy: 0.5780215923688398
Energy: 0.8007583773035949
Energy: 0.5778078051707366
Energy: 0.8007583773039874
Energy: 0.5780227296909634
Energy: 0.8007583773024181
Energy: 0.677924051104991
Energy: 0.7765444657860117
Energy: 0.6779240511093059
Energy: 0.7765433215094348
Energy: 0.6779240511069523
Energy: 0.7765402612837394
Energy: 0.6239123436585606
Energy: 0.6340078793873627
Energy: 0.623912343658953
Energy: 0.6340078793857935
Energy: 0.6239123436550303
Energy: 0.6340078793854014
Energy: 0.5177380534877929
Energy: 0.7422125563748566
Energy: 0.5178580396539639
Energy: 0.7422125563744643
Energy: 0.5181454910047482
Energy: 0.7422125563776024
Energy: 0.5573442443109587
Energy: 0.8505509748871634
Energy: 0.5578072266526631
Energy: 0.8505509748855944
Energy: 0.5571628472099264
Energy: 0.850550974885202
Energy: 0.6230827786654476
Energy: 0.7668962070808389
Energy: 0.6230827786693702
Energy: 0.7668962070788776
Energy: 0.6230827786666243
Energy: 0.7668962070808389
Energy: 0.48403161138409584
Energy: 0.6442598767670006
Energy: 0.485888611609136
Energy: 0.6442598767673928
Energy: 0.48409859192063154
Energy: 0.6442598767685697
Energy: 0.6985399581525148
Energy: 0.6945763227281796
Energy: 0.6985399581505535
Energy: 0.6945763227301409
Energy: 0.6985399581552606
Energy: 0.6945763227297486
Energy: 0.6791778493880845
Energy: 0.8382764539475327
Energy: 0.6791778493884767
Energy: 0.8382764539479252
Energy: 0.6791778493900458
Energy: 0.8382764539491018
Energy: 0.5388553649300836
Energy: 0.7646433922206347
Energy: 0.5406832924629019
Energy: 0.764643392222596
Energy: 0.5404477750100868
Energy: 0.7646433922198502
Energy: 0.6327097261941057
Energy: 0.6106452077571681
Energy: 0.6327097173454537
Energy: 0.6106452077528532
Energy: 0.6327097014607935
Energy: 0.6106452077485384
Energy: 0.6861933887942557
Energy: 0.75266370888674
Energy: 0.6861933887973938
Energy: 0.75266370888674
Energy: 0.6861933887938635
Energy: 0.75266370888674
Energy: 0.6329459642750526
Energy: 0.7034199425678235
Energy: 0.6329459593617895
Energy: 0.7034199425678235
Energy: 0.6329459536937783
Energy: 0.7034199425678235
Energy: 0.53916695692268
Energy: 0.7647097489905004
Energy: 0.5407736819099564
Energy: 0.7647097489905004
Energy: 0.5406713831588772
Energy: 0.7647097489905004
Energy: 0.6789705686607046
Energy: 0.5251678197488752
Energy: 0.6789705686614892
Energy: 0.5252687314894957
Energy: 0.6789705686630582
Energy: 0.5251123027573084
Energy: 0.5012300043017398
Energy: 0.6941882313730305
Energy: 0.5006384904963365
Energy: 0.694188231372246
Energy: 0.50122969643649
Energy: 0.6941882313753841

minimum gb energy = 0.48306842229611713 eV
minimum distance =  2.35782510271885 Angstroms
sigma value = 57


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

Energy: 0.6387070953361362
Energy: 0.6853737129958565
Energy: 0.6387070953367749
Energy: 0.6853737129958565
Energy: 0.6387070953367749
Energy: 0.6853737129958565
Energy: 0.6732906787104118
Energy: 0.7181046503164721
Energy: 0.6732906787104118
Energy: 0.7181046503164721
Energy: 0.6732906787084958
Energy: 0.7181046503158334
Energy: 0.7192147292458726
Energy: 0.7152365480603002
Energy: 0.71921472924715
Energy: 0.7152365480609388
Energy: 0.7192147292477886
Energy: 0.7152365480609388
Energy: 0.6433833104049211
Energy: 0.7088037680679157
Energy: 0.6433833104023664
Energy: 0.5423571367821318
Energy: 0.6433833104017277
Energy: 0.5424765614574596
Energy: 0.6308777960390309
Energy: 0.6731709211645001
Energy: 0.6308777960390309
Energy: 0.6731709211619452
Energy: 0.6308777960435019
Energy: 0.6731709211645001
Energy: 0.7168232957606474
Energy: 0.6689884324606593
Energy: 0.71682329575937
Energy: 0.6689884324581626
Energy: 0.71682329575937
Energy: 0.6689884324600206
Energy: 0.6257823627016764
Energy: 0.79555977155
Energy: 0.6257823627023151
Energy: 0.7955597715506387
Energy: 0.6257823627023151
Energy: 0.7955597715506387
Energy: 0.5443617479890861
Energy: 0.7989124427612638
Energy: 0.5440167046561062
Energy: 0.7989124427619024
Energy: 0.5875039624051982
Energy: 0.798912442762541
Energy: 0.7150547057319885
Energy: 0.6668717588533196
Energy: 0.7150547057313498
Energy: 0.6668717588539582
Energy: 0.7150547057319885
Energy: 0.6668717588526809
Energy: 0.6440383371585611
Energy: 0.7683721881747602
Energy: 0.644038337156645
Energy: 0.7683721881747602
Energy: 0.6440383371598386
Energy: 0.7683721881747602
Energy: 0.6179698138701353
Energy: 0.8374679559051632
Energy: 0.6179698138688579
Energy: 0.8374679559038859
Energy: 0.6179698138663031
Energy: 0.8374679559038859
Energy: 0.7448131768121653
Energy: 0.6772395495993649
Energy: 0.744813176812804
Energy: 0.6772395496000037
Energy: 0.744813176812804
Energy: 0.6772395495980876
Energy: 0.6672685804590449
Energy: 0.7330414538743244
Energy: 0.6672685804603222
Energy: 0.7330414538749631
Energy: 0.6672685804615996
Energy: 0.7330414538749631
Energy: 0.685633294524284
Energy: 0.7200145491747809
Energy: 0.6856332945255614
Energy: 0.7200145491747809
Energy: 0.6856332945236453
Energy: 0.7200145491741423
Energy: 0.7821389981859835
Energy: 0.7283542376404497
Energy: 0.7821389981872608
Energy: 0.7283542376410885
Energy: 0.7821389981866221
Energy: 0.7283542376430046
Energy: 0.729171623011946
Energy: 0.7140603681024802
Energy: 0.729171623011946
Energy: 0.7140603681005641
Energy: 0.7291716230106687
Energy: 0.7140603681012028
Energy: 0.7539436353554587
Energy: 0.6698848316480085
Energy: 0.7539436353516266
Energy: 0.6698848316480085
Energy: 0.7539436353535426
Energy: 0.6698848316473698
Energy: 0.5867328537441995
Energy: 0.693313151131961
Energy: 0.5901985735842573
Energy: 0.6933131511364319
Energy: 0.5293382430158826
Energy: 0.6933131511249353
Energy: 0.7155454536887501
Energy: 0.6726733180571045
Energy: 0.7155454536887501
Energy: 0.6726733180590206
Energy: 0.7155454536887501
Energy: 0.6726733180564658
Energy: 0.7161710635581372
Energy: 0.7716966891236023
Energy: 0.7161710635587758
Energy: 0.7716966891236023
Energy: 0.7161710635581372
Energy: 0.7716966891236023
Energy: 0.8073161003050343
Energy: 0.5975533902094459
Energy: 0.8073161003050343
Energy: 0.5975533902126395
Energy: 0.807316100305673
Energy: 0.5975533902139168
Energy: 0.7026001117609063
Energy: 0.672307681609917
Energy: 0.7026001117609063
Energy: 0.6723076816073623
Energy: 0.7026001117596289
Energy: 0.6723076816067236
Energy: 0.7151927965817803
Energy: 0.7495725687873976
Energy: 0.7151927965817803
Energy: 0.7495725687873976
Energy: 0.7151927965817803
Energy: 0.7495725687873976
Energy: 0.7866112965399586
Energy: 0.6065957077257788
Energy: 0.7866112965399586
Energy: 0.6034417673178155
Energy: 0.7866112965399586
Energy: 0.6092354558469302
Energy: 0.7860865086700298
Energy: 0.6877316457012662
Energy: 0.7860865086693913
Energy: 0.6877316457006276
Energy: 0.7860865086700298
Energy: 0.6877316456999888
Energy: 0.6781133521583617
Energy: 0.7484609942741378
Energy: 0.6781133521590003
Energy: 0.7484609942747765
Energy: 0.6781133521583617
Energy: 0.7484609942747765
Energy: 0.651018492092233
Energy: 0.6728124694241008
Energy: 0.6510184920896782
Energy: 0.6728124694247395
Energy: 0.6510184920903168
Energy: 0.6728124694241008

minimum gb energy = 0.5293382430158826 eV
minimum distance =  2.36287481656115 Angstroms
sigma value = 43


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

Energy: 0.7115713464684849
Energy: 0.5949111888750264
Energy: 0.711571346465735
Energy: 0.5949111888750264
Energy: 0.7115713464648042
Energy: 0.5949111888750264
Energy: 0.588419297251961
Energy: 0.6511341628357677
Energy: 0.5883939216626615
Energy: 0.6511341628357677
Energy: 0.5880781808656205
Energy: 0.651134162836233
Energy: 0.6139067856168362
Energy: 0.6505366449915143
Energy: 0.47866457048945776
Energy: 0.6505366449919797
Energy: 0.4783361909311441
Energy: 0.6505366449915143
Energy: 0.618223883455814
Energy: 0.6438697899056103
Energy: 0.6182238834632596
Energy: 0.6438697899060757
Energy: 0.6182238834358036
Energy: 0.6438697899060757
Energy: 0.5820723151940944
Energy: 0.6109562554316017
Energy: 0.5820723145010506
Energy: 0.6109562554311363
Energy: 0.5820723131920854
Energy: 0.6109562554311363
Energy: 0.5972734474042278
Energy: 0.5937844344942117
Energy: 0.5972734474028317
Energy: 0.5937844344942117
Energy: 0.5972734474037624
Energy: 0.5937844344942117
Energy: 0.617077999844155
Energy: 0.6673021420592242
Energy: 0.6170779998450858
Energy: 0.6673021420587589
Energy: 0.6170779998478779
Energy: 0.6673021420596896
Energy: 0.5790496610710962
Energy: 0.5848550055839848
Energy: 0.5791094337315176
Energy: 0.5848550055835194
Energy: 0.5791171827953062
Energy: 0.584855005583054
Energy: 0.6089863308848371
Energy: 0.5826945249563205
Energy: 0.6089863308843717
Energy: 0.582694524955855
Energy: 0.6089863308820449
Energy: 0.5826945249563205
Energy: 0.5949005517302783
Energy: 0.637766942809501
Energy: 0.5949005517274862
Energy: 0.637766942809501
Energy: 0.5949005517307437
Energy: 0.637766942809501
Energy: 0.6832061371110337
Energy: 0.6714441624147262
Energy: 0.6832061371110337
Energy: 0.6714441624137956
Energy: 0.6832061371110337
Energy: 0.6714441624137956
Energy: 0.5844610436849634
Energy: 0.583688823022833
Energy: 0.584461043685894
Energy: 0.5836888230223676
Energy: 0.584461043685894
Energy: 0.5836888230209715
Energy: 0.5944572804390531
Energy: 0.6063560429756348
Energy: 0.5944572804381224
Energy: 0.6063560429756348
Energy: 0.5944572804409145
Energy: 0.6063560429756348
Energy: 0.5958483084816848
Energy: 0.674308620930563
Energy: 0.595848308480754
Energy: 0.6743086209310284
Energy: 0.595848308480754
Energy: 0.6743086209314938
Energy: 0.6049294822603035
Energy: 0.5840857265662738
Energy: 0.6049294822612342
Energy: 0.5840857265662738
Energy: 0.6049294822603035
Energy: 0.5840857265648778
Energy: 0.6200207490410815
Energy: 0.5981275191241194
Energy: 0.6200207490424776
Energy: 0.598127519123654
Energy: 0.6200207490424776
Energy: 0.5981275191241194
Energy: 0.6212100203963726
Energy: 0.6706625419715386
Energy: 0.6212100203945112
Energy: 0.6706625419715386
Energy: 0.6212100203949766
Energy: 0.6706625419715386
Energy: 0.6137484919242643
Energy: 0.6112374812330018
Energy: 0.6137484919237989
Energy: 0.6112374812348632
Energy: 0.6137484919242643
Energy: 0.6112374812339325
Energy: 0.6058188021332896
Energy: 0.621159823971237
Energy: 0.6058188021332896
Energy: 0.6211598239717023
Energy: 0.6058188021332896
Energy: 0.6211598239717023
Energy: 0.6540675321741288
Energy: 0.5788797070234086
Energy: 0.6540675321745942
Energy: 0.5788797070210818
Energy: 0.6540675321736634
Energy: 0.5788797070210818
Energy: 0.6521188713235113
Energy: 0.6136536236524702
Energy: 0.652118871323046
Energy: 0.6136536236473512
Energy: 0.6521188713221576
Energy: 0.6136536236459552
Energy: 0.6570482414882646
Energy: 0.6167432530430688
Energy: 0.6570482414882646
Energy: 0.6167432530435341
Energy: 0.6570482414882646
Energy: 0.6167432530430688
Energy: 0.6593374250352373
Energy: 0.6358094241166637
Energy: 0.659337425033376
Energy: 0.635809424117129
Energy: 0.6593374250347721
Energy: 0.6358094241166637
Energy: 0.6152630431339028
Energy: 0.6332321166566823
Energy: 0.6152630430357547
Energy: 0.6332321166552862
Energy: 0.6152630427468948
Energy: 0.6332321166524941
Energy: 0.609363822131097
Energy: 0.5913220136246911
Energy: 0.6093638221320276
Energy: 0.5913220136246911
Energy: 0.6093638221315624
Energy: 0.5913220136246911
Energy: 0.609672433070081
Energy: 0.6343790387926836
Energy: 0.609672433070081
Energy: 0.634379038793149
Energy: 0.6096724330710117
Energy: 0.634379038791753
Energy: 0.6280032277084391
Energy: 0.5387004913130307
Energy: 0.6280032276986665
Energy: 0.538700491313919
Energy: 0.6280032276614379
Energy: 0.5387004913111693
Energy: 0.5776277297339951
Energy: 0.5570060912982152
Energy: 0.5776277297335298
Energy: 0.5570060912930963
Energy: 0.5776277297335298
Energy: 0.557006091294027
Energy: 0.578055004529312
Energy: 0.60631213781419
Energy: 0.5780550045288466
Energy: 0.6063121378146553
Energy: 0.578055004529312
Energy: 0.6063121378151206
Energy: 0.6327353486362643
Energy: 0.538901003354559
Energy: 0.632735348635799
Energy: 0.5389010033396677
Energy: 0.632735348635799
Energy: 0.5389010032973625
Energy: 0.584470324095256
Energy: 0.4918676141928366
Energy: 0.584470324095256
Energy: 0.4545473845387249
Energy: 0.5844703240957214
Energy: 0.4903033221186919
Energy: 0.5784245686195394
Energy: 0.5899781722198436
Energy: 0.5784245686195394
Energy: 0.5899781722203089
Energy: 0.578424568619074
Energy: 0.5899781722198436
Energy: 0.613601742366639
Energy: 0.5659119475795006
Energy: 0.6136017423675697
Energy: 0.565911947579966
Energy: 0.613601742366639
Energy: 0.5659119475790353
Energy: 0.6805402851050406
Energy: 0.47290878295399225
Energy: 0.6805402851050406
Energy: 0.47317767409054073
Energy: 0.6805402851050406
Energy: 0.47327460044128355
Energy: 0.6002856400461917
Energy: 0.5707883893002234
Energy: 0.6002856400461917
Energy: 0.570788389299758
Energy: 0.6002856400457263
Energy: 0.570788389299758
Energy: 0.5553140395557632
Energy: 0.5653895295506292
Energy: 0.5553140395557632
Energy: 0.5653895295506292
Energy: 0.5553140395562286
Energy: 0.5653895295501637

minimum gb energy = 0.4545473845387249 eV
minimum distance =  2.36942404382007 Angstroms
sigma value = 81


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

Energy: 0.016399285537725985
Energy: 0.04092987964390369
Energy: 0.016399285537725985
Energy: 0.04092987964390369
Energy: 0.016399285537725985
Energy: 0.04092987964390369
Energy: 0.811842427450814
Energy: 0.0900265073476966
Energy: 0.8118424274525239
Energy: 0.0900265073476966
Energy: 0.811842427450814
Energy: 0.09002650734598676
Energy: 0.8118860393027483
Energy: 0.08998465127716077
Energy: 0.8118860393044581
Energy: 0.08998465127716077
Energy: 0.8118860393044581
Energy: 0.08998465127716077
Energy: 0.016399285537725985
Energy: 0.04092987964561352
Energy: 0.016399285537725985
Energy: 0.04092987964732334
Energy: 0.016399285537725985
Energy: 0.04092987964732334
Energy: 0.811842427450814
Energy: 0.0900265073476966
Energy: 0.811842427450814
Energy: 0.09002650734598676
Energy: 0.811842427450814
Energy: 0.0900265073476966
Energy: 0.8118860393044581
Energy: 0.08998465127716077
Energy: 0.8118860393044581
Energy: 0.08998465127716077
Energy: 0.8118860393044581
Energy: 0.0899846512788706
Energy: 0.016399285537725985
Energy: 0.04092987964561352
Energy: 0.016399285537725985
Energy: 0.04092987964732334
Energy: 0.016399285537725985
Energy: 0.04092987964561352
Energy: 0.811842427450814
Energy: 0.09002650734598676
Energy: 0.811842427450814
Energy: 0.09002650734598676
Energy: 0.811842427450814
Energy: 0.0900265073476966
Energy: 0.8118860393044581
Energy: 0.08998465127716077
Energy: 0.8118860393044581
Energy: 0.0899846512788706
Energy: 0.8118860393044581
Energy: 0.08998465127716077
Energy: 0.016399285537725985
Energy: 0.04092987964561352
Energy: 0.016399285537725985
Energy: 0.04092987964732334
Energy: 0.016399285537725985
Energy: 0.04092987964561352

minimum gb energy = 0.016399285537725985 eV
minimum distance =  2.57761404230113 Angstroms
sigma value = 3


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

Energy: 0.5150486415770705
Energy: 0.43276568020044454
Energy: 0.5150486415765589
Energy: 0.43276568020044454
Energy: 0.5150486415770705
Energy: 0.43276568020044454
Energy: 0.3493550292839334
Energy: 0.43752257967615815
Energy: 0.3493550292818868
Energy: 0.43752257967615815
Energy: 0.3493550292844452
Energy: 0.43752257967615815
Energy: 0.4367294375159246
Energy: 0.37170669081881
Energy: 0.43672943747140913
Energy: 0.37170669081881
Energy: 0.4367294373563295
Energy: 0.3717066908208567
Energy: 0.5000528724789264
Energy: 0.49441677204930773
Energy: 0.5000528724789264
Energy: 0.4944167720487961
Energy: 0.5000528724789264
Energy: 0.49441677204930773
Energy: 0.4478916725133091
Energy: 0.43607582897506186
Energy: 0.4478916725133091
Energy: 0.43607582897506186
Energy: 0.4478916725117741
Energy: 0.43607582897608516
Energy: 0.4443466570083794
Energy: 0.40061611877175696
Energy: 0.44434665700889114
Energy: 0.40061611877175696
Energy: 0.4443466570073561
Energy: 0.40061611877226855
Energy: 0.3964494591695817
Energy: 0.546966555826863
Energy: 0.3964494591685583
Energy: 0.5469665558283981
Energy: 0.3964494591685583
Energy: 0.5469665558263515
Energy: 0.45287096330688503
Energy: 0.4357287203353504
Energy: 0.45287096330535
Energy: 0.4357287203353504
Energy: 0.45287096330586163
Energy: 0.4357287203353504
Energy: 0.4551762544271619
Energy: 0.41085648885926984
Energy: 0.4551762544271619
Energy: 0.41085648885926984
Energy: 0.45517625442767357
Energy: 0.41085648885926984
Energy: 0.4008564985221111
Energy: 0.48070421900584287
Energy: 0.4008564985210878
Energy: 0.48070421900584287
Energy: 0.40085649852159944
Energy: 0.48070421900328447
Energy: 0.523574022484202
Energy: 0.4303244787515142
Energy: 0.5235740224847136
Energy: 0.43032447875202584
Energy: 0.5235740224847136
Energy: 0.43032447875100255
Energy: 0.464038819472954
Energy: 0.46311336955560856
Energy: 0.46403881947193065
Energy: 0.46311336955560856
Energy: 0.46403881947090736
Energy: 0.4631133695561202
Energy: 0.374992057289986
Energy: 0.4177460859875339
Energy: 0.37499205728896273
Energy: 0.4177460859875339
Energy: 0.3749920572894744
Energy: 0.4177460859880455
Energy: 0.5330605878447451
Energy: 0.392601659249164
Energy: 0.5330605878447451
Energy: 0.392601659249164
Energy: 0.5330605878452567
Energy: 0.3926016592496757
Energy: 0.4115016277111248
Energy: 0.43944589460088246
Energy: 0.4115016277111248
Energy: 0.4394458945998591
Energy: 0.4115016277111248
Energy: 0.43944589460088246
Energy: 0.3725816835769431
Energy: 0.40796178630097196
Energy: 0.3725816835764315
Energy: 0.40796178630097196
Energy: 0.37258168357745486
Energy: 0.4079617863014836
Energy: 0.4112632457880824
Energy: 0.5199999253115734
Energy: 0.4112632390298272
Energy: 0.5199999253105498
Energy: 0.41126321346116473
Energy: 0.5199999253115734
Energy: 0.4433486112999371
Energy: 0.40998226830749646
Energy: 0.4433486112999371
Energy: 0.4099822584100413
Energy: 0.4433486113004487
Energy: 0.409982237945585
Energy: 0.37338468265962926
Energy: 0.6269763181871024
Energy: 0.37338468266014097
Energy: 0.626976318187614
Energy: 0.37338468265962926
Energy: 0.6269763181871024
Energy: 0.42079450693482556
Energy: 0.33325656359060996
Energy: 0.420794501868995
Energy: 0.33325656359419165
Energy: 0.4207944777313392
Energy: 0.33325656359060996
Energy: 0.4483460177715444
Energy: 0.31441147334369307
Energy: 0.44834601777205607
Energy: 0.31441147334471636
Energy: 0.4483460177715444
Energy: 0.3144114733467631
Energy: 0.3398255210915517
Energy: 0.40101234507491956
Energy: 0.3398255210884817
Energy: 0.4010123450744078
Energy: 0.3398255210905283
Energy: 0.4010123450738962
Energy: 0.4504290990947209
Energy: 0.34066718757443354
Energy: -0.9829635210608877
Energy: 0.340667187572945
Energy: -0.9854782102906381
Energy: 0.34066718757396836
Energy: 0.5104842555511451
Energy: 0.32272735935815017
Energy: 0.5104842555496101
Energy: 0.3227273593571268
Energy: 0.5104842555301665
Energy: 0.32272735935815017
Energy: 0.37356869855541025
Energy: 0.4239535668797233
Energy: 0.37356869855489866
Energy: 0.4239535668807466
Energy: 0.37356869855438696
Energy: 0.42395356685413976
Energy: 0.49687382251041323
Energy: 0.3754021007409941
Energy: 0.49687382251092493
Energy: 0.37540210074048247
Energy: 0.49687382251092493
Energy: 0.37540210073997077
Energy: 0.5084430416710678
Energy: 0.41991724095380767
Energy: 0.5084430416705562
Energy: 0.41991724095380767
Energy: 0.5084430416700445
Energy: 0.41991724095380767
Energy: 0.3969104438509823
Energy: 0.4603827070176688
Energy: 0.3969104438509823
Energy: 0.46038270701715706
Energy: 0.3969104438509823
Energy: 0.4603827070176688
Energy: 0.4942798717313468
Energy: 0.3722028892671989
Energy: 0.49427987173083515
Energy: 0.37220288926617556
Energy: 0.4942798717313468
Energy: 0.3722028892666872
Energy: 0.563701436233307
Energy: 0.49706246920000324
Energy: 0.5637014362322839
Energy: 0.4970624691749313
Energy: 0.563701436233307
Energy: 0.49706246913199736
Energy: 0.4613861927088068
Energy: 0.45829067679081475
Energy: 0.4613861733270948
Energy: 0.45829067679081475
Energy: 0.46138610983331285
Energy: 0.45829067679030305
Energy: 0.4800292492238077
Energy: 0.38541480054206495
Energy: 0.48002924922283086
Energy: 0.38541480054206495
Energy: 0.4800292492248311
Energy: 0.38541480054206495
Energy: 0.5117892908649612
Energy: 0.5070825017562397
Energy: 0.5117892908649612
Energy: 0.507082501754193
Energy: 0.5117892908649612
Energy: 0.5070825017562397

minimum gb energy = -0.9854782102906381 eV
minimum distance =  2.41290404974275 Angstroms
sigma value = 67


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

Energy: 0.5178988336088292
Energy: 0.7063049645920682
Energy: 0.5178988336095581
Energy: 0.706304964592797
Energy: 0.5178988336102872
Energy: 0.7063049645920682
Energy: 0.5686634199047444
Energy: 0.6215410627668038
Energy: 0.5686634199054734
Energy: 0.6215410627668038
Energy: 0.5686634199054734
Energy: 0.6215410627668038
Energy: 0.7085085100879023
Energy: 0.5588338869050754
Energy: 0.7085085100900232
Energy: 0.5588338869043464
Energy: 0.7085085100893606
Energy: 0.5588338869043464
Energy: 0.5524680245232167
Energy: 0.6478755555735329
Energy: 0.5524680245224877
Energy: 0.6478755555735329
Energy: 0.5524680245232167
Energy: 0.6478755555735329
Energy: 0.5718925656909015
Energy: 0.5640876120646742
Energy: 0.5718925656909015
Energy: 0.5640876120654033
Energy: 0.5718925656909015
Energy: 0.5640876120646742
Energy: 0.6128515227456764
Energy: 0.5544266155394181
Energy: 0.6128515227471345
Energy: 0.5544266155401472
Energy: 0.6128515227464055
Energy: 0.5544266155394181
Energy: 0.5671687561018125
Energy: 0.6271327890249312
Energy: 0.5671687561018125
Energy: 0.627132789024202
Energy: 0.5671687561018125
Energy: 0.627132789024202
Energy: 0.609322805103986
Energy: 0.5635454868356888
Energy: 0.609322805104715
Energy: 0.5635454868356888
Energy: 0.609322805103986
Energy: 0.5635454868364179
Energy: 0.6281345018794469
Energy: 0.6288434905967255
Energy: 0.6281345018772596
Energy: 0.6288434905974546
Energy: 0.6281345018779887
Energy: 0.6288434905959964
Energy: 0.5554516015430824
Energy: 0.5854741315172428
Energy: 0.5554516015438115
Energy: 0.5854741315165137
Energy: 0.5554516015430824
Energy: 0.5854741315172428
Energy: 0.6073310438866246
Energy: 0.5535482702761778
Energy: 0.6073310438844374
Energy: 0.553548270275515
Energy: 0.6073310438844374
Energy: 0.5535482702761778
Energy: 0.5473494497262608
Energy: 0.6001779404937568
Energy: 0.5473494497255317
Energy: 0.6001779404930278
Energy: 0.5473494497262608
Energy: 0.6001779404937568
Energy: 0.5535096869940981
Energy: 0.8178644815159396
Energy: 0.5535096869940981
Energy: 0.8178644815166687
Energy: 0.553509686993369
Energy: 0.8178644815159396
Energy: 0.5928437166872718
Energy: 0.538013038080293
Energy: 0.5928437154213995
Energy: 0.5380130380824802
Energy: 0.5928437127993819
Energy: 0.5380130380817512
Energy: 0.5698654179733592
Energy: 0.5675536140850226
Energy: 0.5698654179733592
Energy: 0.5675536140857516
Energy: 0.5698654179733592
Energy: 0.5675536140857516
Energy: 0.557645192825997
Energy: 0.5787021972542701
Energy: 0.5576451928267261
Energy: 0.5787021972542701
Energy: 0.5576451928267261
Energy: 0.5787021972542701
Energy: 0.6478946193400472
Energy: 0.5571679323652278
Energy: 0.6478946193364017
Energy: 0.5571679323659569
Energy: 0.6478946193378599
Energy: 0.5571679323659569
Energy: 0.573955729030096
Energy: 0.5646445931910983
Energy: 0.573955729030096
Energy: 0.5646445931910983
Energy: 0.573955729030096
Energy: 0.5646445931910983
Energy: 0.5571116233623608
Energy: 0.6071857399116062
Energy: 0.5571116233609026
Energy: 0.6071857399123353
Energy: 0.5571116233609026
Energy: 0.6071857399123353
Energy: 0.8163393755094375
Energy: 0.5579092772709929
Energy: 0.8163393755094375
Energy: 0.5579092772709929
Energy: 0.8163393755094375
Energy: 0.557909277271722
Energy: 0.6098665913560368
Energy: 0.5771822352927299
Energy: 0.6098665913545788
Energy: 0.5771822352927299
Energy: 0.6098665913560368
Energy: 0.5771822352927299
Energy: 0.556122597268708
Energy: 0.6304680314572467
Energy: 0.55612259726725
Energy: 0.6304680314572467
Energy: 0.556122597268708
Energy: 0.6304680314579758
Energy: 0.6332605368615872
Energy: 0.5583247176105045
Energy: 0.6332605368615872
Energy: 0.5583247176105045
Energy: 0.6332605368630454
Energy: 0.5583247176105045

minimum gb energy = 0.5178988336088292 eV
minimum distance =  2.41164416862798 Angstroms
sigma value = 33


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

Energy: 0.6130851602056141
Energy: 0.7182403748336589
Energy: 0.613085160206539
Energy: 0.7182403748336589
Energy: 0.6130851602060766
Energy: 0.7182403748336589
Energy: 0.6613807469754139
Energy: 0.6411233241643918
Energy: 0.6613807469744889
Energy: 0.6411233241643918
Energy: 0.6613807469749514
Energy: 0.6411233241643918
Energy: 0.6966873149916374
Energy: 0.6458042701006229
Energy: 0.6966873149920999
Energy: 0.6458042701006229
Energy: 0.6966873149916374
Energy: 0.6458042701006229
Energy: 0.6338422101796979
Energy: 0.7752236239140042
Energy: 0.633842210181548
Energy: 0.7752236239135417
Energy: 0.633842210181548
Energy: 0.775223623914467
Energy: 0.692421599134152
Energy: 0.628672373511463
Energy: 0.692421599134152
Energy: 0.628672373511463
Energy: 0.6924215991336895
Energy: 0.6286723735119256
Energy: 0.7151089664283837
Energy: 0.7446711839292878
Energy: 0.7151089625057443
Energy: 0.7446711839302128
Energy: 0.7151089545022865
Energy: 0.7446711839292878
Energy: 0.6495387243421478
Energy: 0.9486679411835754
Energy: 0.6495387243426104
Energy: 0.948667941184038
Energy: 0.6495387243412228
Energy: 0.9486679411835754
Energy: 0.7331258473689387
Energy: 0.6602783129204879
Energy: 0.7331258473689387
Energy: 0.6602783129209504
Energy: 0.7331258473703263
Energy: 0.6602783129209504
Energy: 0.6533807426393204
Energy: 0.716183534002376
Energy: 0.6533807426397831
Energy: 0.7161835340019136
Energy: 0.6533807426393204
Energy: 0.716183534002376
Energy: 0.627746041245226
Energy: 0.7451051163975358
Energy: 0.6277460412456886
Energy: 0.7451051163970733
Energy: 0.6277460412461512
Energy: 0.7451051163975358
Energy: 0.7098075713349195
Energy: 0.6233930103265655
Energy: 0.7098075713367694
Energy: 0.6233930103274905
Energy: 0.7098075713358445
Energy: 0.6233930103265655
Energy: 0.6690690756882338
Energy: 0.681746355176735
Energy: 0.6690690756886962
Energy: 0.681746355176735
Energy: 0.6690690756886962
Energy: 0.681746355176735
Energy: 0.6276794553042494
Energy: 0.6770170346724316
Energy: 0.6276794553033243
Energy: 0.677017034671969
Energy: 0.6276794553033243
Energy: 0.6770170346724316
Energy: 0.676013323958659
Energy: 0.6255048593066059
Energy: 0.6760133239572714
Energy: 0.6255048593066059
Energy: 0.6760133239563465
Energy: 0.6255048593061434
Energy: 0.6599681418418589
Energy: 0.6800157573780602
Energy: 0.6599681418418589
Energy: 0.6800157573780602
Energy: 0.6599681418427839
Energy: 0.6800157573785227
Energy: 0.6327871508113933
Energy: 0.6964567555308182
Energy: 0.6327871508118558
Energy: 0.6964567555308182
Energy: 0.6327871508113933
Energy: 0.6964567555298933
Energy: 0.6904267865429617
Energy: 0.6483848395588766
Energy: 0.6904267865429617
Energy: 0.6483848395588766
Energy: 0.6904267865429617
Energy: 0.6483848395593391
Energy: 0.6953601212912758
Energy: 0.7347510452695091
Energy: 0.6953601212889632
Energy: 0.7347510452690466
Energy: 0.6953601212908133
Energy: 0.7347510452722421
Energy: 0.6504154498003379
Energy: 0.7233352571261551
Energy: 0.6504154497998754
Energy: 0.7233352571289303
Energy: 0.6504154498008005
Energy: 0.7233352571270801
Energy: 0.9452678834783095
Energy: 0.6264715612208844
Energy: 0.945267883477847
Energy: 0.6264715612199595
Energy: 0.9452678834773844
Energy: 0.6264715612204219
Energy: 0.6488598466754841
Energy: 0.7159232389157342
Energy: 0.6488598466759468
Energy: 0.7159232389152717
Energy: 0.6488598466750216
Energy: 0.7159232389157342
Energy: 0.6594160215261082
Energy: 0.6824829258629063
Energy: 0.6594160215256457
Energy: 0.6824829258629063
Energy: 0.6594160215270333
Energy: 0.6824829258629063
Energy: 0.7624496040097505
Energy: 0.6235376939381542
Energy: 0.7624496030916242
Energy: 0.6235376939390792
Energy: 0.7624495994158393
Energy: 0.6235376939386167
Energy: 0.6301896955529019
Energy: 0.6804019645041478
Energy: 0.6301896955529019
Energy: 0.6804019645041478
Energy: 0.6301896955529019
Energy: 0.6804019645041478
Energy: 0.6569450736844219
Energy: 0.6787089898322829
Energy: 0.6569450736848844
Energy: 0.6787089898322829
Energy: 0.6569450736853469
Energy: 0.6787089898322829
Energy: -1.2448195593332338
Energy: 0.6478673363683278
Energy: 0.6259095279817257
Energy: 0.6478673363683278
Energy: 0.6256749934268234
Energy: 0.6478673363687905
Energy: 0.6561903086950699
Energy: 0.6822862594314073
Energy: 0.6561903086969199
Energy: 0.6822862594314073
Energy: 0.6561903086959949
Energy: 0.6822862594318698
Energy: 0.6395628088774065
Energy: 0.7874949730435433
Energy: 0.6395628088774065
Energy: 0.7874949730435433
Energy: 0.6395628088778689
Energy: 0.7874949730435433
Energy: 0.7330388949560014
Energy: 0.6252075669332086
Energy: 0.733038894958314
Energy: 0.6252075669332086
Energy: 0.7330388949587765
Energy: 0.6252075669332086
Energy: 0.6492073077011502
Energy: 0.731342566784888
Energy: 0.6492073077030002
Energy: 0.7313425667858131
Energy: 0.6492073077034626
Energy: 0.7313425667858131
Energy: 0.7383624819420433
Energy: 0.7414538575037483
Energy: 0.7383624819425058
Energy: 0.7414538575028232
Energy: 0.7383624819411182
Energy: 0.7414538575037483
Energy: 0.689411504016522
Energy: 0.6269492231302295
Energy: 0.689411504016522
Energy: 0.6269492231297671
Energy: 0.6894115040169844
Energy: 0.6269492231297671
Energy: 0.6411596806769503
Energy: 0.6960145780010076
Energy: 0.6411596806769503
Energy: 0.6960145779996201
Energy: 0.6411596806760252
Energy: 0.696014577998695
Energy: 0.6618840899823025
Energy: 0.6346780661372293
Energy: 0.6618840899823025
Energy: 0.6346780661367668
Energy: 0.6618840899813775
Energy: 0.6346780661367668
Energy: 0.6801073650674392
Energy: 0.649447078651187
Energy: 0.6801073650679017
Energy: 0.649447078651187
Energy: 0.6801073650679017
Energy: 0.649447078651187
Energy: 0.6095249584044513
Energy: 0.6620208720910156
Energy: 0.6095249584067639
Energy: 0.6620208720914782
Energy: 0.6095249584063013
Energy: 0.6620208720914782
Energy: 0.6702084946053153
Energy: 0.6552305570801064
Energy: 0.6702084946067028
Energy: 0.6552305570801064
Energy: 0.6702084946057777
Energy: 0.6552305570791813

minimum gb energy = -1.2448195593332338 eV
minimum distance =  2.40642590552636 Angstroms
sigma value = 41


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

Energy: 0.8420138082832826
Energy: 0.8335187576778076
Energy: 0.8420138082832826
Energy: 0.8335187576778076
Energy: 0.8420138082820198
Energy: 0.8335187576790702
Energy: 0.8887231707639416
Energy: 0.8327204033729011
Energy: 0.8887231707639416
Energy: 0.8327204033741641
Energy: 0.8887231707639416
Energy: 0.8327204033741641
Energy: 0.9858602590940486
Energy: 0.8355076562050396
Energy: 0.9858602590927857
Energy: 0.8355076562050396
Energy: 0.9858602590927857
Energy: 0.8355076562050396
Energy: 0.8422207848319045
Energy: 0.945211069073895
Energy: 0.8422207848319045
Energy: 0.9452110690751578
Energy: 0.8422207848331672
Energy: 0.9452110690764205
Energy: 0.9433811725334204
Energy: 0.8405886068144452
Energy: 0.9433811725334204
Energy: 0.8405886068144452
Energy: 0.9433811725334204
Energy: 0.8405886068144452
Energy: 0.9582153954303243
Energy: 0.9412492938400736
Energy: 0.9582153954303243
Energy: 0.9412492938400736
Energy: 0.9582153954303243
Energy: 0.9412492938413366
Energy: 0.8351851296965306
Energy: 0.8865195396561746
Energy: 0.8351851296965306
Energy: 0.8865195396561746
Energy: 0.8351851296965306
Energy: 0.8865195396561746
Energy: 0.8815490332174625
Energy: 0.8329262940623415
Energy: 0.8815490332174625
Energy: 0.8329262940623415
Energy: 0.8815490332161997
Energy: 0.8329262940623415
Energy: 0.8863664153689379
Energy: 0.8856020697921936
Energy: 0.8863664153689379
Energy: 0.8856020697921936
Energy: 0.8863664153689379
Energy: 0.8856020697921936
Energy: 0.8151952178940708
Energy: 0.9218810122597636
Energy: 0.8151952178940708
Energy: 0.9218810122610263
Energy: 0.8151952178940708
Energy: 0.9218810122597636
Energy: 0.8825781720414775
Energy: 0.8356546981493652
Energy: 0.8825781720414775
Energy: 0.8356546981493652
Energy: 0.8825781720414775
Energy: 0.8356546981493652
Energy: 0.8938742867246168
Energy: 0.8330215336783867
Energy: 0.8938742867246168
Energy: 0.8330215336783867
Energy: 0.893874286723354
Energy: 0.8330215336783867
Energy: 0.8396377169785542
Energy: 0.9417123991632208
Energy: 0.8396377169785542
Energy: 0.9417123991657466
Energy: 0.8396377169785542
Energy: 0.9417123991657466
Energy: 0.9414176198683383
Energy: 0.833762729905449
Energy: 0.9414176198683383
Energy: 0.833762729905449
Energy: 0.9414176198683383
Energy: 0.833762729905449

minimum gb energy = 0.8151952178940708 eV
minimum distance =  2.37826093931342 Angstroms
sigma value = 11


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

Energy: 0.9806295498805727
Energy: 1.1524549828883663
Energy: 0.9806295498816824
Energy: 1.1524549828883663
Energy: 0.9806295498811275
Energy: 1.152454982888921
Energy: 1.0692432069180384
Energy: 0.9812906163861412
Energy: 1.0692432069180384
Energy: 0.9812906163861412
Energy: 1.0692432069180384
Energy: 0.9812906163866959
Energy: 1.1133985336936385
Energy: 0.9979047113118552
Energy: 1.113398533696412
Energy: 0.9979047113113005
Energy: 1.1133985336958574
Energy: 0.9979047113118552
Energy: 1.0741986892871158
Energy: 1.0820761165265327
Energy: 1.0741986892865611
Energy: 1.082076116525978
Energy: 1.0741986892865611
Energy: 1.082076116525978
Energy: 1.132426539161809
Energy: 1.0090240203044571
Energy: 1.1324265391612542
Energy: 1.0090240203044571
Energy: 1.1324265391612542
Energy: 1.0090240203033476
Energy: 1.1274965239395158
Energy: 1.086035099662081
Energy: 1.1274965239395158
Energy: 1.086035099662081
Energy: 1.1274965239395158
Energy: 1.0860350996615264
Energy: 1.0428600892460735
Energy: 1.142810484284076
Energy: 1.0428600892455187
Energy: 1.1428104842835214
Energy: 1.0428600892455187
Energy: 1.1428104842851858
Energy: 1.0763721357916283
Energy: 1.0098425234529613
Energy: 1.0763721357910738
Energy: 1.0098425234551802
Energy: 1.0763721357910738
Energy: 1.0098425234546256
Energy: 1.0886152499492683
Energy: 1.0182989340520625
Energy: 1.0886152499492683
Energy: 1.0182989340515078
Energy: 1.088615249949823
Energy: 1.0182989340520625
Energy: 1.0123133954642072
Energy: 1.1370303987659507
Energy: 1.0123133954636525
Energy: 1.1370303987659507
Energy: 1.0123133954642072
Energy: 1.1370303987659507
Energy: 1.1014501105475378
Energy: 1.032544405484446
Energy: 1.1014501105475378
Energy: 1.0325444054850008
Energy: 1.1014501105464283
Energy: 1.0325444054838913
Energy: 1.0503955800837022
Energy: 1.0463529620153345
Energy: 1.0503955800831475
Energy: 1.0463529620142247
Energy: 1.050395580084257
Energy: 1.0463529620142247
Energy: 1.0768203485322503
Energy: 1.1171810962986155
Energy: 1.076820348532805
Energy: 1.117181096298086
Energy: 1.0768203485322503
Energy: 1.1171810962991702
Energy: 1.1326897899700648
Energy: 1.01449759752824
Energy: 1.1326897899706192
Energy: 1.01449759752824
Energy: 1.1326897899717288
Energy: 1.014497597527685
Energy: 1.0849175001082743
Energy: 1.1329714900374097
Energy: 1.0849175001082743
Energy: 1.1329714900379646
Energy: 1.0849175001077194
Energy: 1.1329714900374097
Energy: 1.0176990828647645
Energy: 1.144225838722105
Energy: 1.0176990828653194
Energy: 1.1442258258361653
Energy: 1.0176990828653194
Energy: 1.144225775413038
Energy: 1.1045639328548194
Energy: 1.0075355836771145
Energy: 1.1045639328564836
Energy: 1.0075355836771145
Energy: 1.1045639328559287
Energy: 1.0075355836776692
Energy: 1.0490202290219788
Energy: 1.0496502514887276
Energy: 1.0490202290214237
Energy: 1.0496502514887276
Energy: 1.0490202290219788
Energy: 1.0496502514881727
Energy: 1.0060131212906311
Energy: 1.0679870890698249
Energy: 1.0060131212906311
Energy: 1.067987089071489
Energy: 1.006013121291741
Energy: 1.0679870890709344
Energy: 1.169629385924641
Energy: 1.0179962001447054
Energy: 1.1696293859235316
Energy: 1.0179962001441507
Energy: 1.1696293859196485
Energy: 1.017996200143596
Energy: 1.0861367305555014
Energy: 1.1330773182814917
Energy: 1.0861367305560563
Energy: 1.1330773182814917
Energy: 1.0861367305560563
Energy: 1.1330773182814917
Energy: 1.0395975006028373
Energy: 1.1118809692158016
Energy: 1.0395975006028373
Energy: 1.1118809692158016
Energy: 1.0395975006028373
Energy: 1.1118809692158016
Energy: 1.114205561030191
Energy: 1.0563375941332627
Energy: 1.1142055610307458
Energy: 1.0563375941332627
Energy: 1.114205561030191
Energy: 1.056337594132708
Energy: 1.0714381948879534
Energy: 0.9818589245094791
Energy: 1.0714381948879534
Energy: 0.9818589245089243
Energy: 1.0714381948873988
Energy: 0.981858924510034
Energy: 1.019416929404783
Energy: 1.0894065812278961
Energy: 1.019416929404783
Energy: 1.0894065812273412
Energy: 1.0194169294042283
Energy: 1.0894065812273412
Energy: 1.1072973177273653
Energy: 1.032427837543305
Energy: 1.107297317725701
Energy: 1.0324278375427505
Energy: 1.1072973177262557
Energy: 1.0324278375427505
Energy: 1.0210021788233308
Energy: 1.1267850375315869
Energy: 1.0210021788233308
Energy: 1.1267850375315869
Energy: 1.0210021788233308
Energy: 1.1267850375310322
Energy: 0.9898670923065327
Energy: 1.0721965842055214
Energy: 0.9898670923070875
Energy: 1.0721965842055214
Energy: 0.9898670923070875
Energy: 1.072196584206076
Energy: 1.1075304202639176
Energy: 1.0424035905112625
Energy: 1.1075304202622533
Energy: 1.0424035905107079
Energy: 1.1075304202616987
Energy: 1.0424035905112625
Energy: 1.0828907746656864
Energy: 1.0822885877369195
Energy: 1.0828907746656864
Energy: 1.0822885877374744
Energy: 1.0828907746656864
Energy: 1.0822885877369195
Energy: 1.0309941894750894
Energy: 1.1199887738071754
Energy: 1.0309941894739798
Energy: 1.119988773808285
Energy: 1.0309941894745347
Energy: 1.1199887738071754

minimum gb energy = 0.9806295498805727 eV
minimum distance =  2.28642990868636 Angstroms
sigma value = 57


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

Energy: 1.253785808896889
Energy: 1.3181854145403833
Energy: 1.253785808896889
Energy: 1.3181854145413705
Energy: 1.253785808896889
Energy: 1.3181854145403833
Energy: 1.165884452982229
Energy: 1.1104087811249257
Energy: 1.165884452982229
Energy: 1.1104087811249257
Energy: 1.165884452982229
Energy: 1.1104087811239385
Energy: 1.2795325791074685
Energy: 1.1155575626520304
Energy: 1.2795325791064813
Energy: 1.1155575626520304
Energy: 1.2795325791064813
Energy: 1.1155575626520304
Energy: 1.2648108404328609
Energy: 1.2187781727430036
Energy: 1.2648108404328609
Energy: 1.2187781727430036
Energy: 1.2648108404328609
Energy: 1.2187781727430036
Energy: 1.2803098587447843
Energy: 1.115577040070146
Energy: 1.2803098587447843
Energy: 1.115577040070146
Energy: 1.280309858743797
Energy: 1.115577040070146
Energy: 1.168500178184951
Energy: 1.1934356649022066
Energy: 1.168500178183964
Energy: 1.1934356649022066
Energy: 1.168500178184951
Energy: 1.1934356649022066
Energy: 1.2537858088959017
Energy: 1.3181854145413705
Energy: 1.2537858088959017
Energy: 1.3181854145423575
Energy: 1.2537858088959017
Energy: 1.3181854145413705
Energy: 1.165884452982229
Energy: 1.1104087811249257
Energy: 1.165884452982229
Energy: 1.1104087811249257
Energy: 1.165884452982229
Energy: 1.1104087811249257
Energy: 1.279532579104507
Energy: 1.1155575626530174
Energy: 1.279532579104507
Energy: 1.1155575626530174
Energy: 1.27953257910352
Energy: 1.1155575626520304
Energy: 1.264810840433848
Energy: 1.2187781727430036
Energy: 1.264810840433848
Energy: 1.2187781727410292
Energy: 1.264810840433848
Energy: 1.2187781727420164
Energy: 1.280309858743797
Energy: 1.115577040069159
Energy: 1.280309858743797
Energy: 1.115577040069159
Energy: 1.280309858743797
Energy: 1.115577040069159
Energy: 1.168500178184951
Energy: 1.1934356649002322
Energy: 1.168500178184951
Energy: 1.1934356649012194
Energy: 1.168500178183964
Energy: 1.1934356649012194
Energy: 1.253785808896889
Energy: 1.3181854145403833
Energy: 1.253785808896889
Energy: 1.3181854145413705
Energy: 1.253785808896889
Energy: 1.3181854145413705
Energy: 1.165884452981242
Energy: 1.1104087811249257
Energy: 1.165884452982229
Energy: 1.1104087811249257
Energy: 1.165884452981242
Energy: 1.1104087811239385
Energy: 1.2795325791064813
Energy: 1.1155575626520304
Energy: 1.2795325791064813
Energy: 1.1155575626520304
Energy: 1.2795325791064813
Energy: 1.1155575626520304
Energy: 1.2648108404328609
Energy: 1.221291195652586
Energy: 1.2648108404328609
Energy: 1.2187781727420164
Energy: 1.2648108404328609
Energy: 1.2187781727420164
Energy: 1.280309858743797
Energy: 1.115577040070146
Energy: 1.280309858743797
Energy: 1.115577040070146
Energy: 1.280309858743797
Energy: 1.115577040070146

minimum gb energy = 1.1104087811239385 eV
minimum distance =  2.33391144852771 Angstroms
sigma value = 9


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

Energy: 1.258153714184639
Energy: 1.2910870325596648
Energy: 1.258153714183833
Energy: 1.2910870325604709
Energy: 1.258153714182221
Energy: 1.2910870325596648
Energy: 1.2390704901219418
Energy: 1.2693749975087611
Energy: 1.2390704901219418
Energy: 1.2693749975087611
Energy: 1.2390704901211358
Energy: 1.2693749975087611
Energy: 1.1922305097326205
Energy: 1.2429567616502073
Energy: 1.1922305097310086
Energy: 1.2429567616502073
Energy: 1.1922305097318147
Energy: 1.242956761649401
Energy: 1.1640519191252583
Energy: 1.2292853309826426
Energy: 1.1640519191268706
Energy: 1.2292853309834486
Energy: 1.1640519191260643
Energy: 1.2292853309834486
Energy: 1.1717897786424523
Energy: 1.1931896173033676
Energy: 1.171789778640034
Energy: 1.1931896173025616
Energy: 1.17178977864084
Energy: 1.1931896173025616
Energy: 1.2097761404055773
Energy: 1.1681412635543005
Energy: 1.2097761404055773
Energy: 1.1681412635543005
Energy: 1.2097761404047715
Energy: 1.1681412635551065
Energy: 1.1676015391235668
Energy: 1.2821424797995178
Energy: 1.1676015391235668
Energy: 1.2821424797987118
Energy: 1.1676015391235668
Energy: 1.2821424797987118
Energy: 1.1677235679090245
Energy: 1.2477452292350257
Energy: 1.1677235679090245
Energy: 1.2477452292358315
Energy: 1.1677235679082185
Energy: 1.2477452292350257
Energy: 1.2374793202547876
Energy: 1.204541744708349
Energy: 1.2374793202531753
Energy: 1.204541744708349
Energy: 1.2374793202563996
Energy: 1.204541744708349
Energy: 1.228224802613125
Energy: 1.2313695460062917
Energy: 1.228224802613125
Energy: 1.2313695460062917
Energy: 1.228224802614737
Energy: 1.2313695460054856
Energy: 1.2379780988314022
Energy: 1.2398637352399402
Energy: 1.237978098830596
Energy: 1.2398637352383282
Energy: 1.2379780988289841
Energy: 1.2398637352407462
Energy: 1.3104405038490174
Energy: 1.2412949971979692
Energy: 1.310440504074594
Energy: 1.2412949971995815
Energy: 1.3104405041479052
Energy: 1.2412949971963572
Energy: 1.163763604605494
Energy: 1.2420996352267784
Energy: 1.1637636046063
Energy: 1.2420996352259723
Energy: 1.163763604603882
Energy: 1.2420996352275844
Energy: 1.2419129343142368
Energy: 1.193539547016745
Energy: 1.241912934313431
Energy: 1.193539547016745
Energy: 1.2419129343142368
Energy: 1.1935395470175512
Energy: 1.3092119847157337
Energy: 1.2233685163617751
Energy: 1.3092119847157337
Energy: 1.223368516362581
Energy: 1.3092119847157337
Energy: 1.2233685163617751
Energy: 1.2600508477006176
Energy: 1.234950845840803
Energy: 1.2600508477014236
Energy: 1.234950845842415
Energy: 1.2600508477014236
Energy: 1.234950845842415
Energy: 1.2043253713331648
Energy: 1.2307545229163606
Energy: 1.2043253713331648
Energy: 1.2307545229171664
Energy: 1.204325371331553
Energy: 1.2307545229163606
Energy: 1.1411107419352429
Energy: 1.1675524424733903
Energy: 1.1410159284390284
Energy: 1.1675524424733903
Energy: 0.997274166300296
Energy: 1.1675524424733903
Energy: 1.199901230814534
Energy: 1.1905468979788023
Energy: 1.19990123081534
Energy: 1.1905468979788023
Energy: 1.199901230814534
Energy: 1.1905468979788023
Energy: 1.2074337054874593
Energy: 1.2172819825513088
Energy: 1.2074337054874593
Energy: 1.2172819825496968
Energy: 1.2074337054842352
Energy: 1.2172819825521146
Energy: 1.3652137495083754
Energy: 1.2529618076843778
Energy: 1.3652137495091814
Energy: 1.2529618076835718
Energy: 1.3652137495083754
Energy: 1.2529618076835718

minimum gb energy = 0.997274166300296 eV
minimum distance =  2.32906682136467 Angstroms
sigma value = 27


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

Energy: 1.3083220428990325
Energy: 1.2002793471748225
Energy: 1.3083220428990325
Energy: 1.2002793453833205
Energy: 1.3083220428990325
Energy: 1.200279339117788
Energy: 1.3064784894751467
Energy: 1.228468988187231
Energy: 1.3064784894751467
Energy: 1.228468988187231
Energy: 1.3064784894744672
Energy: 1.228468988187231
Energy: 1.2296098233825858
Energy: 1.2054664855069503
Energy: 1.2296098233791888
Energy: 1.205466485506271
Energy: 1.2296098233825858
Energy: 1.205466485506271
Energy: 1.2532847495288206
Energy: 1.177956024582845
Energy: 1.2532847495288206
Energy: 1.177956024582845
Energy: 1.2532847495288206
Energy: 1.1779560245835246
Energy: 1.259376088348083
Energy: 1.231188927774117
Energy: 1.2593760883474037
Energy: 1.2311889277734374
Energy: 1.2593760883474037
Energy: 1.2311889277734374
Energy: 1.2339643306107269
Energy: 1.2644826965786142
Energy: 1.2339643306107269
Energy: 1.2644826965792935
Energy: 1.2339643306114063
Energy: 1.2644826965792935
Energy: 1.230207090896199
Energy: 1.2643360754422766
Energy: 1.2302070908948404
Energy: 1.2643360754436352
Energy: 1.2302070908955196
Energy: 1.2643360754429558
Energy: 1.3162932925173298
Energy: 1.2110729716412703
Energy: 1.3162932925173298
Energy: 1.2107917746044181
Energy: 1.3162932925173298
Energy: 1.2110133814148776
Energy: 1.2092379941489637
Energy: 1.300387742164376
Energy: 1.2092379941476048
Energy: 1.3003877421650554
Energy: 1.2092379941482843
Energy: 1.3003877421636967
Energy: 1.247977769911231
Energy: 1.1392374974208308
Energy: 1.2479777699125902
Energy: 1.1392374974208308
Energy: 1.2479777699119108
Energy: 1.139237497419472
Energy: 1.2109476001789752
Energy: 1.1255147355282367
Energy: 1.2109476001789752
Energy: 1.1255147355282367
Energy: 1.2109476001789752
Energy: 1.1255147355282367
Energy: 1.2329048877017335
Energy: 1.2654449908907828
Energy: 1.232904887701054
Energy: 1.2654449908907828
Energy: 1.2329048877017335
Energy: 1.2654449908907828
Energy: 1.3238434512894182
Energy: 1.15873047907885
Energy: 1.3238434512887385
Energy: 1.15873047907885
Energy: 1.3238434512900976
Energy: 1.1587304790774913
Energy: 1.2982204987137331
Energy: 1.2130558219288847
Energy: 1.2982204987144128
Energy: 1.2130558219288847
Energy: 1.2982204987150923
Energy: 1.2130558219288847
Energy: 1.1847217218054615
Energy: 1.2614821117796648
Energy: 1.1847216668051719
Energy: 1.261482111780344
Energy: 1.1847215759169647
Energy: 1.2614821117810238
Energy: 1.1972276422972588
Energy: 1.2141773357812125
Energy: 1.1972276422972588
Energy: 1.2141773357825711
Energy: 1.1972276422979382
Energy: 1.2141773357812125
Energy: 1.2343343181437672
Energy: 1.2272116555287944
Energy: 1.234334318143088
Energy: 1.227211655529474
Energy: 1.234334318143088
Energy: 1.2272116555287944
Energy: 1.1646521424417045
Energy: 1.2058387884101778
Energy: 1.164652142442384
Energy: 1.2058387884101778
Energy: 1.164652142442384
Energy: 1.2058387884094983
Energy: 1.2596967791783351
Energy: 1.2505688829159152
Energy: 1.2596967791776557
Energy: 1.2505688829159152
Energy: 1.2596967791776557
Energy: 1.2505688829159152
Energy: 1.3083220428983533
Energy: 1.2002793470254125
Energy: 1.3083220428990325
Energy: 1.2002793445004785
Energy: 1.3083220428990325
Energy: 1.2002793397194744
Energy: 1.306478489473788
Energy: 1.2284689881858724
Energy: 1.3064784894731085
Energy: 1.2284689881858724
Energy: 1.306478489473788
Energy: 1.2284689881858724
Energy: 1.2296098233805477
Energy: 1.2054664855076298
Energy: 1.2296098233798682
Energy: 1.2054664855069503
Energy: 1.2296098233819066
Energy: 1.2054664855076298
Energy: 1.253284749527462
Energy: 1.1779560245821659
Energy: 1.253284749527462
Energy: 1.1779560245821659
Energy: 1.253284749527462
Energy: 1.1779560245821659
Energy: 1.2593760883467242
Energy: 1.231188927774117
Energy: 1.2593760883460448
Energy: 1.2311889277734374
Energy: 1.2593760883467242
Energy: 1.2311889277734374
Energy: 1.2339643306120858
Energy: 1.264482696579973
Energy: 1.2339643306114063
Energy: 1.264482696579973
Energy: 1.2339643306114063
Energy: 1.264482696579973

minimum gb energy = 1.1255147355282367 eV
minimum distance =  2.29742490033877 Angstroms
sigma value = 19


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

Energy: 1.2329833016750162
Energy: 1.1935767402787425
Energy: 1.2329833016744296
Energy: 1.1935767402787425
Energy: 1.2329833016750162
Energy: 1.1935767402787425
Energy: 1.1624417279642456
Energy: 1.145305848246586
Energy: 1.1624417279648322
Energy: 1.1453058482471725
Energy: 1.1624417279642456
Energy: 1.1453058482471725
Energy: 1.17905432186762
Energy: 1.177556821249886
Energy: 1.1790543218646874
Energy: 1.177556821249886
Energy: 1.1790543218664469
Energy: 1.1775568212504723
Energy: 1.1727549438043363
Energy: 1.1692160807680174
Energy: 1.1727549438049227
Energy: 1.169216080767431
Energy: 1.1727549438043363
Energy: 1.169216080767431
Energy: 1.1260482863365084
Energy: 1.1718935960497983
Energy: 1.126048286337095
Energy: 1.1718935960497983
Energy: 1.126048286337095
Energy: 1.1718935960497983
Energy: 1.1442845598482483
Energy: 1.2157177181861814
Energy: 1.1442845598476616
Energy: 1.2157177181861814
Energy: 1.1442845598488078
Energy: 1.2157177181861814
Energy: 1.1428347169183903
Energy: 1.2005449103647567
Energy: 1.1428347169189765
Energy: 1.20054491036593
Energy: 1.1428347169201498
Energy: 1.2005449103653434
Energy: 1.1570383964878075
Energy: 1.219160059433683
Energy: 1.157038396487221
Energy: 1.2191600594330967
Energy: 1.1570383964866344
Energy: 1.2191600594330967
Energy: 1.2147443656695869
Energy: 1.1863532092677838
Energy: 1.1263213882049627
Energy: 1.1863532092677838
Energy: 0.986275476936396
Energy: 1.1863532092677838
Energy: 1.1272637637889709
Energy: 1.133264093369098
Energy: 1.1272637637889709
Energy: 1.1332640933685116
Energy: 1.1272637637895575
Energy: 1.133264093369098
Energy: 1.1845824394563473
Energy: 1.2082169866516312
Energy: 1.1845824394551745
Energy: 1.2082169866498718
Energy: 1.1845824394563473
Energy: 1.2082169866510448
Energy: 1.1823995068523578
Energy: 1.1698313168819354
Energy: 1.1823995068505986
Energy: 1.1698313168819354
Energy: 1.1823995068529445
Energy: 1.1698313168825216
Energy: 1.134384429318165
Energy: 1.2273923478793167
Energy: 1.134384429316992
Energy: 1.2273923478804898
Energy: 1.1343844293193377
Energy: 1.2273923478793167
Energy: 1.2153159958218323
Energy: 1.1362348455427815
Energy: 1.2153159958218323
Energy: 1.1362348455427815
Energy: 1.2153159958218323
Energy: 1.1362348455427815
Energy: 1.1877848171460608
Energy: 1.1319946995726218
Energy: 1.1877848171495795
Energy: 1.1319946995732082
Energy: 1.1877848171507528
Energy: 1.1319946995726218
Energy: 1.1985857455170614
Energy: 1.1851189784395513
Energy: 1.1985857455176478
Energy: 1.185118978440111
Energy: 1.1985857455170614
Energy: 1.1851189784389646
Energy: 1.173844851588528
Energy: 1.1674273597704603
Energy: 1.173844851588528
Energy: 1.1674273597710467
Energy: 1.173844851588528
Energy: 1.1674273597698737
Energy: 1.2387068427975823
Energy: 1.1240210378147333
Energy: 1.2387068427975823
Energy: 1.1240210378141469
Energy: 1.2387068427969954
Energy: 1.1240210378153197
Energy: 1.2376956748028884
Energy: 1.211949752194086
Energy: 1.2376956748017156
Energy: 1.211949752194086
Energy: 1.1667383765181805
Energy: 1.2119497521934994
Energy: 1.136015259960764
Energy: 1.1871981707486712
Energy: 1.136015259960764
Energy: 1.1871981707492576
Energy: 1.1360152599619369
Energy: 1.1871981707486712
Energy: 1.147789969945988
Energy: 1.1684846714392374
Energy: 1.147789969945988
Energy: 1.1684846714380646
Energy: 1.147789969945988
Energy: 1.1684846714380646
Energy: 1.2660805605519103
Energy: 1.1600269522923121
Energy: 1.266078421052876
Energy: 1.1600269522923121
Energy: 1.2660703275548195
Energy: 1.1600269522923121
Energy: 1.1465526483015331
Energy: 1.1407939300321017
Energy: 1.146552648300947
Energy: 1.1407939300321017
Energy: 1.146552648300947
Energy: 1.1407939300326881
Energy: 1.2227083084812258
Energy: 1.1716605597914966
Energy: 1.222708308481812
Energy: 1.1716605597920833
Energy: 1.2227083084823986
Energy: 1.1716605597926697
Energy: 1.1309247622507042
Energy: 1.140192072293383
Energy: 1.1309247622501177
Energy: 1.1401920722939693
Energy: 1.1309247622507042
Energy: 1.1401920722957288
Energy: 1.1356523188388732
Energy: 1.158653182170508
Energy: 1.1356523188388732
Energy: 1.158653182170508
Energy: 1.1356523188388732
Energy: 1.1586531821710944
Energy: 1.19025968939874
Energy: 1.1833043567771175
Energy: 1.19025968939874
Energy: 1.1833043567777042
Energy: 1.19025968939874
Energy: 1.1833043567777042
Energy: 1.1513717876070955
Energy: 1.1592227938390771
Energy: 1.1513717876076819
Energy: 1.1592227938384907
Energy: 1.1513717876070955
Energy: 1.1592227938384907
Energy: 1.1743699157800793
Energy: 1.1917964787331015
Energy: 1.1743699157800793
Energy: 1.1917964787348607
Energy: 1.1743699157800793
Energy: 1.1917964787342743

minimum gb energy = 0.986275476936396 eV
minimum distance =  2.32683431601246 Angstroms
sigma value = 101


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

Energy: 1.1477217158467077
Energy: 1.1103680505567248
Energy: 1.1477217158467077
Energy: 1.1103680505567248
Energy: 1.1477217158461923
Energy: 1.1103680505572404
Energy: 1.1094998497331674
Energy: 1.1042444452255127
Energy: 1.1094998497316206
Energy: 1.1042444452249973
Energy: 1.1094998497321362
Energy: 1.1042444452249973
Energy: 1.1018571047632362
Energy: 1.1189940393194422
Energy: 1.1018571047658139
Energy: 1.1189940393199578
Energy: 1.1018571047647827
Energy: 1.1189940393204731
Energy: 1.1123601185711869
Energy: 1.156138634386645
Energy: 1.1123601185711869
Energy: 1.156138634385661
Energy: 1.1123601185706713
Energy: 1.156138634385661
Energy: 1.08193176637528
Energy: 1.0982979794315015
Energy: 1.08193176637528
Energy: 1.0982979794315015
Energy: 1.0819317663747645
Energy: 1.0982979794320173
Energy: 1.0806466416881453
Energy: 1.133468485987004
Energy: 1.0806466416876297
Energy: 1.1334684859875193
Energy: 1.0806466416881453
Energy: 1.1334684859875193
Energy: 1.1055517923551328
Energy: 1.1792168546484774
Energy: 1.1055517923551328
Energy: 1.1792168546495085
Energy: 1.1055517923541018
Energy: 1.1792168546484774
Energy: 1.1116889487725754
Energy: 1.1131164176246953
Energy: 1.111688948773091
Energy: 1.11311641762418
Energy: 1.111688948773091
Energy: 1.113116417625211
Energy: 1.1499969574981475
Energy: 1.1349280773664276
Energy: 1.1499969574981475
Energy: 1.134928077366943
Energy: 1.1499969574981475
Energy: 1.134928077366943
Energy: 1.0863858016597425
Energy: 1.1188719062312797
Energy: 1.0863858016587113
Energy: 1.1188719062328263
Energy: 1.086385801659227
Energy: 1.1188719062333417
Energy: 1.1273982388469217
Energy: 1.3040998266427701
Energy: 1.1273982388469217
Energy: 1.304099826640708
Energy: 1.1273982388469217
Energy: 1.3040998266401926
Energy: 1.190939341340545
Energy: 1.128352805576894
Energy: 1.1909393413420917
Energy: 1.12835280557741
Energy: 1.1909393413420917
Energy: 1.1283528055779253
Energy: 1.0807519698535062
Energy: 1.110556535734697
Energy: 1.0807519698529908
Energy: 1.110556535734697
Energy: 1.0807519698535062
Energy: 1.1105565357341813
Energy: 1.1464737583918245
Energy: 1.1853873661218322
Energy: 1.1464737583897624
Energy: 1.1853873661218322
Energy: 1.1464737583923401
Energy: 1.1853873661218322
Energy: 1.0924492243869588
Energy: 1.115312517313867
Energy: 1.0924492243885053
Energy: 1.1153125173133513
Energy: 1.092449224385928
Energy: 1.115312517313867
Energy: 1.1018462034263403
Energy: 1.1254790742679501
Energy: 1.1018462034273713
Energy: 1.1254790742679501
Energy: 1.1018462034273713
Energy: 1.1254790742674345
Energy: 1.1111392345045084
Energy: 1.1147020254451123
Energy: 1.1111392345045084
Energy: 1.1147020254456277
Energy: 1.111139234505024
Energy: 1.1147020254451123
Energy: 1.090677863600598
Energy: 1.1000825763699553
Energy: 1.0906778636021448
Energy: 1.1000825763709863
Energy: 1.090677863601629
Energy: 1.1000825763704707
Energy: 1.081241895942592
Energy: 1.1344560030416544
Energy: 1.081241895942592
Energy: 1.1344560030416544
Energy: 1.0812418959431074
Energy: 1.1344560030411388
Energy: 1.0865388728576493
Energy: 1.1073241896098593
Energy: 1.0865388728571337
Energy: 1.1073241896088284
Energy: 1.0865388728561023
Energy: 1.1073241896077974
Energy: 1.1189258485676814
Energy: 1.2382845918560104
Energy: 1.1189258485676814
Energy: 1.2382845918549792
Energy: 1.1189258485687124
Energy: 1.2382845918545105
Energy: 1.201589003796529
Energy: 1.1141807932002321
Energy: 1.2015890037949828
Energy: 1.1141807932002321
Energy: 1.2015890037944672
Energy: 1.1141807932012633
Energy: 1.1292929031310188
Energy: 1.1055544723478246
Energy: 1.1292929031315344
Energy: 1.1055544723483401
Energy: 1.1292929031315344
Energy: 1.1055544723467934
Energy: 1.112631842639099
Energy: 1.13324753104402
Energy: 1.1126318426396145
Energy: 1.133247329054344
Energy: 1.11263184264013
Energy: 1.1332469389985707
Energy: 1.130811228536709
Energy: 1.1522864903908385
Energy: 1.1308112285382554
Energy: 1.1522864903908385
Energy: 1.130811228538771
Energy: 1.1522864903913541
Energy: 1.065583131116627
Energy: 1.125043743142569
Energy: 1.0655831311181736
Energy: 1.125043743141538
Energy: 1.0655831311181736
Energy: 1.125043743142569
Energy: 1.1465455638299196
Energy: 1.1183618842261118
Energy: 1.1465455638324973
Energy: 1.118361884225596
Energy: 1.1465455638309507
Energy: 1.118361884225596
Energy: 1.1220260270285838
Energy: 1.0982434858704453
Energy: 1.1220260270296147
Energy: 1.0982434858699297
Energy: 1.1220260270280682
Energy: 1.0982434858704453
Energy: 1.1641748096047544
Energy: 1.145591135017138
Energy: 0.9570718729475909
Energy: 1.145591135017138
Energy: 0.9567112059760787
Energy: 1.145591135016107
Energy: 1.0906804586736099
Energy: 1.140501037998315
Energy: 1.0906804586741254
Energy: 1.1405010379988305
Energy: 1.0906804586730943
Energy: 1.1405010379972838
Energy: 1.1111692731163703
Energy: 1.0870866983020173
Energy: 1.1111692731153393
Energy: 1.0870866983020173
Energy: 1.111169273116839
Energy: 1.0870866983030483
Energy: 1.1353922477937513
Energy: 1.1189610401304737
Energy: 1.1353922477932357
Energy: 1.118961040130989
Energy: 1.1353922477937513
Energy: 1.1189610401320202
Energy: 1.1461446612230866
Energy: 1.1068823320409922
Energy: 1.1461446612220556
Energy: 1.1068823320399612
Energy: 1.1461446612241177
Energy: 1.1068823320409922

minimum gb energy = 0.9567112059760787 eV
minimum distance =  2.29632842128267 Angstroms
sigma value = 33


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

Energy: 0.01784029054465549
Energy: 0.727192431764302
Energy: 0.01784029054465549
Energy: 0.727192431764302
Energy: 0.01784029054465549
Energy: 0.727192431764302
Energy: 0.018526788692110358
Energy: -1.5199039246036394
Energy: 0.018526788692110358
Energy: -1.5199039246040678
Energy: 0.018526788692110358
Energy: -1.5199039246078276
Energy: 0.7276047101309286
Energy: -1.5176505623461347
Energy: 0.7274032513509011
Energy: -1.5176505623457062
Energy: 0.7274006416284609
Energy: -1.517650562346563
Energy: 0.018526788692110358
Energy: -1.5199039246065427
Energy: 0.018526788692110358
Energy: -1.519903924607399
Energy: 0.018526788692110358
Energy: -1.5199039246044483

minimum gb energy = -1.5199039246078276 eV
minimum distance =  2.47277898502358 Angstroms
sigma value = 1