Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645762205124
cohesive_energy=4.2905471300555265
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.31359112479502e-19, 3.0632015065445995e-19, 3.62521302621912e-19, 4.08149690981598e-19, 4.466227584938399e-19, 4.79762179991496e-19, 5.086830704118299e-19, 5.3413364624292e-19, 5.56642625773986e-19, 5.76580111807482e-19, 5.942585287870379e-19, 6.09914998854486e-19, 6.2374338538253995e-19, 6.35899099504698e-19, 6.465183262348499e-19, 6.557116157607419e-19, 6.635750986804139e-19, 6.701952925321019e-19, 6.75642693087702e-19, 6.79986193942476e-19, 6.8328026910198e-19, 6.85577790395136e-19, 6.86926823120964e-19, 6.87367421695314e-19, 6.868915752350159e-19, 6.853454747832059e-19, 6.825304504372679e-19, 6.782045735254679e-19, 6.72082656606954e-19, 6.638122208222459e-19, 6.529718937166019e-19, 6.39047376590508e-19, 6.21402605320266e-19, 5.99257319885118e-19, 5.71635794714958e-19, 5.3732037556794595e-19, 4.947665641689059e-19, 4.42010091964554e-19, 3.7651631551990193e-19, 2.94983148792276e-19, 1.93067090926902e-19, 6.49483955184384e-20, -9.72639777908916e-20, -3.04471238818824e-19, -5.72007499694046e-19, -9.21983759271738e-19, -1.387053979529454e-18, -2.01696414277626e-18, -2.89026256067064e-18, -4.1364195248295e-18, -5.980444721731799e-18, -8.840153773992059e-18, -1.356112744373646e-17, -2.20654970387748e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01318582331868245
Energy: 1.1063673124226165
Energy: 1.9735114860106089
Energy: 0.013477334288132775
Energy: 1.1063673124226165
Energy: 0.22578313571618597
Energy: 1.1051575451553801
Energy: 0.22578313571618597
Energy: 1.9735114860018075
Energy: 1.1051575451573237
Energy: 1.4332898207458384
Energy: 1.105157545156352
Energy: 0.013477334288132775
Energy: 0.22578313571618597
Energy: 1.105157545156352
Energy: 0.22578313571618597

minimum gb energy = 0.01318582331868245 eV
minimum distance =  2.43810932776014 Angstroms
sigma value = 1


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

Energy: 2.154511850741845
Energy: 1.006279921848947
Energy: 1.1661583819148398
Energy: 1.0261325272430695
Energy: 1.861625634670256
Energy: 0.8957380413957438
Energy: 0.8966950253875215
Energy: 0.895738041396956
Energy: 1.8497427963413902
Energy: 0.8959324701914398
Energy: 0.8963835996552836
Energy: 0.895932470192652
Energy: 1.8610052242492088
Energy: 0.8958373330251215
Energy: 0.8959399422452764
Energy: 0.8958373330251215
Energy: 1.5338866476556927
Energy: 0.9028197732163005
Energy: 1.2140603887287582
Energy: 0.9028197732163005
Energy: 1.8611453857853604
Energy: 0.8952517223065184
Energy: 1.170072458761178
Energy: 0.8952517223065184
Energy: 1.668642895251882
Energy: 0.8952025886485581
Energy: 1.1727862118531964
Energy: 0.8952025886497703
Energy: 1.5396480322464323
Energy: 0.8951144217960311
Energy: 1.1744522070737973
Energy: 0.8951144217960311
Energy: 1.3471530343554003
Energy: 0.8978577821657826
Energy: 1.5783327603330763
Energy: 0.8978577821657826
Energy: 1.5379193010748609
Energy: 0.9637709273992072
Energy: 1.549145413829022
Energy: 0.9637709273992072
Energy: 1.4921270824584987
Energy: 0.8970147043536765
Energy: 1.4421363862351686
Energy: 0.8970147043536765
Energy: 1.173487773481672
Energy: 0.8949179644399526
Energy: 1.5351956337561805
Energy: 0.8949179644399526
Energy: 1.1729443863831468
Energy: 0.8951947566279342
Energy: 1.5357955946703705
Energy: 0.8951947566279342
Energy: 1.157125176385969
Energy: 0.8952211731577626
Energy: 1.8611665436542275
Energy: 0.8952211731577626
Energy: 1.1801294615752023
Energy: 0.902540161842899
Energy: 1.6247755745010186
Energy: 0.902540161842899
Energy: 0.8960629439472589
Energy: 0.8960900026525483
Energy: 1.852736798589322
Energy: 0.8960900026513363
Energy: 0.8957416846604664
Energy: 0.8960902562439614
Energy: 1.8554620624985207
Energy: 0.8960902562439614
Energy: 0.8949699116744785
Energy: 0.8954938966595863
Energy: 1.862395918630391
Energy: 0.8954938966595863
Energy: 0.8956830536913467
Energy: 0.895690753078357
Energy: 1.7360139261960625
Energy: 0.8956907530771447
Energy: 0.9786638707906617
Energy: 0.895499788052264
Energy: 1.8540947552760414
Energy: 0.8954997880534762
Energy: 0.9957181060055474
Energy: 0.8954765891889056
Energy: 1.858267161927199
Energy: 0.8954765891901176
Energy: 0.9959830967678107
Energy: 0.8952265757850952
Energy: 1.7408370572625418
Energy: 0.8952265757850952
Energy: 1.0023464796223835
Energy: 0.8952250445614496
Energy: 1.5342348974645452
Energy: 0.8952250445529641
Energy: 1.3506005442727935
Energy: 0.8955654378774144
Energy: 1.7401616384889793
Energy: 0.8955654378774144
Energy: 1.349055284664421
Energy: 0.8959251340354306
Energy: 1.7405971636095896
Energy: 0.8959251340354306
Energy: 1.3502997847748983
Energy: 0.9671929355404821
Energy: 1.3482146425729165
Energy: 0.96719293553927
Energy: 1.349341566837774
Energy: 0.9651966774405968
Energy: 1.3485394323853805
Energy: 0.9651966774418089
Energy: 1.7408069777273791
Energy: 0.8958952170719038
Energy: 1.3497714786148374
Energy: 0.895895217073116
Energy: 1.6249858143190525
Energy: 0.8953567947620285
Energy: 1.3605663535060653
Energy: 0.8953567947632407
Energy: 1.6245463308728083
Energy: 0.8953205669398256
Energy: 0.9954362169720951
Energy: 0.8953205669398256
Energy: 1.7413087504128986
Energy: 0.8955322574388839
Energy: 0.9963981390775575
Energy: 0.8955322574400959
Energy: 1.8584031756063557
Energy: 0.9237593643798949
Energy: 0.9811318529991684
Energy: 0.9237593643786828
Energy: 1.8455846983017379
Energy: 0.8960565095341133
Energy: 0.9791623591918898
Energy: 0.8960565095341133

minimum gb energy = 0.8949179644399526 eV
minimum distance =  2.35412651485625 Angstroms
sigma value = 1


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

Energy: 2.424594299204222
Energy: 1.0553885344824874
Energy: 0.9291055203968569
Energy: 1.1130984073355983
Energy: 1.7827931386063383
Energy: 0.9285960199960926
Energy: 0.9282037397302222
Energy: 0.9285960199960926
Energy: 1.781051854994768
Energy: 0.9278589981313853
Energy: 0.9266798390505496
Energy: 0.9278589981313853
Energy: 1.7823893724959283
Energy: 0.928052290190942
Energy: 0.9284071422203425
Energy: 0.928052290190942
Energy: 1.5469008974709453
Energy: 0.9281737968341179
Energy: 1.125177436953942
Energy: 0.9281737968341179
Energy: 1.7823665140598066
Energy: 0.9276979120538851
Energy: 1.124150440523557
Energy: 0.9276979120538851
Energy: 1.782268342037022
Energy: 0.9283151301984918
Energy: 1.1418422507260373
Energy: 0.9283151301984918
Energy: 1.549549176602983
Energy: 0.9302716550655108
Energy: 1.1410534230025184
Energy: 0.9302716550641287
Energy: 1.549331297950709
Energy: 1.0126382214109286
Energy: 1.393989954987873
Energy: 1.0126382214109286
Energy: 1.5489581955619618
Energy: 1.0133413095818435
Energy: 1.5481666846980573
Energy: 1.0133413095818435
Energy: 1.549046399902694
Energy: 1.0125326327564288
Energy: 1.3237060261196973
Energy: 1.0125326327564288
Energy: 1.1413751521891657
Energy: 0.9286433691044547
Energy: 1.325276089271772
Energy: 0.9286433691044547
Energy: 1.1415213966408766
Energy: 0.9276469651161529
Energy: 1.5486940396328506
Energy: 0.9276469651161529
Energy: 1.125261818216505
Energy: 0.9283504607364892
Energy: 1.7829268340551359
Energy: 0.9283504607364892
Energy: 1.1252194880646424
Energy: 0.9282439922944353
Energy: 1.7644832054797686
Energy: 0.9282439922944353
Energy: 0.9278197687967547
Energy: 0.9277528182809228
Energy: 1.7634074389934122
Energy: 0.9277528182809228
Energy: 0.9273116740625851
Energy: 0.9277218104387785
Energy: 1.7823158784590276
Energy: 0.9277218104387785
Energy: 0.9274158596601818
Energy: 0.9288061413844905
Energy: 1.7826673841734235
Energy: 0.9288061413844905
Energy: 0.9279391396474201
Energy: 0.9283733589272848
Energy: 1.5465114018445185
Energy: 0.9283733589272848
Energy: 1.1245764511867824
Energy: 0.9276178140695855
Energy: 1.7822402038310283
Energy: 0.9276178140695855
Energy: 1.1408864525390896
Energy: 0.9279110739782147
Energy: 1.781233082234758
Energy: 0.9279110739782147
Energy: 1.1408676711670116
Energy: 0.9301512089944506
Energy: 1.5489629671929712
Energy: 0.9301512089958326
Energy: 1.1413042468822507
Energy: 1.0120805455514654
Energy: 1.5492163236437657
Energy: 1.0120805455514654
Energy: 1.5486810554713093
Energy: 1.0127901813796778
Energy: 1.5492509676207222
Energy: 1.0127901813796778
Energy: 1.3235049215713186
Energy: 1.0133367509096538
Energy: 1.5506409384736373
Energy: 1.0133367509096538
Energy: 1.3236092610925563
Energy: 0.9288338465663127
Energy: 1.190306999339739
Energy: 0.9288338465663127
Energy: 1.5489411380181648
Energy: 0.9276340933234414
Energy: 1.1407306422664916
Energy: 0.9276340933234414
Energy: 1.7826326442511742
Energy: 0.9278517684803447
Energy: 1.1249796498012077
Energy: 0.9278517684803447
Energy: 1.7641707879692508
Energy: 0.9281027266867661
Energy: 1.125346049636433
Energy: 0.9281027266853841

minimum gb energy = 0.9266798390505496 eV
minimum distance =  2.35876809300279 Angstroms
sigma value = 25


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

Energy: 2.2863147382814515
Energy: 1.086324662466865
Energy: 0.9910731445640574
Energy: 1.1127745543786642
Energy: 1.6829988827445008
Energy: 0.9908544946466243
Energy: 0.9915594693401071
Energy: 0.9908544946466243
Energy: 1.6794612481155802
Energy: 0.990121632951806
Energy: 0.99005650418768
Energy: 0.9901216329534128
Energy: 1.6795224728633147
Energy: 0.9907888640069075
Energy: 0.9910033902379173
Energy: 0.9907888640069075
Energy: 1.5630081422700282
Energy: 1.0163344706899298
Energy: 1.3046748741002445
Energy: 1.0163344706899298
Energy: 1.6791810668194393
Energy: 0.9913427535698832
Energy: 1.3177611435959398
Energy: 0.9913427535698832
Energy: 1.6793959967649028
Energy: 1.0796213697354125
Energy: 1.3552185309756728
Energy: 1.0796213697354125
Energy: 1.3538614216115468
Energy: 1.080166641050241
Energy: 1.3510339281262815
Energy: 1.0801666410486344
Energy: 1.3557086309198525
Energy: 1.0802403528191176
Energy: 1.4817987028235184
Energy: 1.0802403528175109
Energy: 1.3179090941927314
Energy: 1.0081493256394989
Energy: 1.6787579124934249
Energy: 1.0081493256394989
Energy: 1.3329332465017163
Energy: 1.0163928028377258
Energy: 1.6778785656345834
Energy: 1.0163928028377258
Energy: 0.9902502065792528
Energy: 0.9906507510467687
Energy: 1.676975520377341
Energy: 0.9906507510467687
Energy: 0.98935580913796
Energy: 0.9902606607235694
Energy: 1.6829527354707703
Energy: 0.9902606607235694
Energy: 0.9909662360688172
Energy: 1.0351470942796268
Energy: 1.6812955165461494
Energy: 1.0351470942796268
Energy: 0.9899650041345365
Energy: 1.0085338811506144
Energy: 1.561699541758337
Energy: 1.0085338811506144
Energy: 1.1092660515889057
Energy: 0.9907747320686437
Energy: 1.676956451122105
Energy: 0.9907747320686437
Energy: 1.1263455593960845
Energy: 0.989977426012075
Energy: 1.682018194387364
Energy: 0.989977426012075
Energy: 1.127039554553272
Energy: 0.9905779081069025
Energy: 1.5599154830552073
Energy: 0.9905779081069025
Energy: 1.1461830900807655
Energy: 0.990107370395464
Energy: 1.3529702098095087
Energy: 0.990107370395464
Energy: 1.5599838591222268
Energy: 1.0839452913966015
Energy: 1.5604275230909008
Energy: 1.0839452913982082
Energy: 1.4470805855288589
Energy: 0.9901318525482348
Energy: 1.5603859785163587
Energy: 0.990131852546628
Energy: 1.4468560325033062
Energy: 0.9902812878633769
Energy: 1.1278100497607533
Energy: 0.9902812878617702
Energy: 1.5606731441509516
Energy: 0.9904049458330765
Energy: 1.1263266377062127
Energy: 0.9904049458330765
Energy: 1.6826881596969607
Energy: 0.9902832814770622
Energy: 1.1207772359447774
Energy: 0.9902832814770622
Energy: 1.676053091977156
Energy: 0.9908900020115705
Energy: 1.093095290785292
Energy: 0.9908900020115705

minimum gb energy = 0.98935580913796 eV
minimum distance =  2.34606894524095 Angstroms
sigma value = 9


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

Energy: 2.026715106199206
Energy: 1.017509924595472
Energy: 1.0198701233951293
Energy: 1.2051412404862327
Energy: 1.5661227661337696
Energy: 1.0917322813838266
Energy: 1.019912105960978
Energy: 1.0917322813844148
Energy: 1.5666424096405918
Energy: 1.0196604564138716
Energy: 1.0157669886660132
Energy: 1.0196604564138716
Energy: 1.5640193292282456
Energy: 1.0173232150512483
Energy: 1.0173320278538236
Energy: 1.0173232150506821
Energy: 1.3048184386092536
Energy: 1.0208498679829934
Energy: 1.2724679775171932
Energy: 1.020849867982231
Energy: 1.565531403348328
Energy: 1.0894679012529973
Energy: 1.2743853713192248
Energy: 1.0894679012524093
Energy: 1.5666904586468666
Energy: 1.0173704697466952
Energy: 1.0003651090544818
Energy: 1.0173704697468915
Energy: 1.315888908047921
Energy: 1.1379389309154488
Energy: 1.3133477998829794
Energy: 1.137938930915841
Energy: 1.3146447744289311
Energy: 1.1411200777847748
Energy: 1.5667491749307374
Energy: 1.1411200777849708
Energy: 1.365133130313181
Energy: 1.0175435772068555
Energy: 1.5657003852098945
Energy: 1.0175435772068555
Energy: 1.2730111150756491
Energy: 1.0207753859833655
Energy: 1.5326302721248
Energy: 1.0207753859835398
Energy: 1.0159378054284727
Energy: 1.0173328172185578
Energy: 1.5338498019930606
Energy: 1.017332817219124
Energy: 1.0172622015265336
Energy: 1.0196176711137053
Energy: 1.5653933407900251
Energy: 1.0196176711137053
Energy: 1.0193414512980148
Energy: 1.094046127368653
Energy: 1.5658700393415033
Energy: 1.094046127368653
Energy: 1.0201210826431248
Energy: 1.0210599946586432
Energy: 1.3049314225742183
Energy: 1.0210599946586432
Energy: 1.272490537209011
Energy: 1.0905063423423182
Energy: 1.5638484899268636
Energy: 1.0905063423421224
Energy: 1.0004595347019287
Energy: 1.0198162583700836
Energy: 1.566786912133413
Energy: 1.0198162583696915
Energy: 1.0006988417820037
Energy: 1.1413029804134835
Energy: 1.3652228087441642
Energy: 1.1413029804136796
Energy: 1.3143156231361024
Energy: 1.1413459498080696
Energy: 1.3136901428217447
Energy: 1.1413459498078735
Energy: 1.5669271630774
Energy: 1.1407178123807078
Energy: 1.3662938115726149
Energy: 1.1407178123808819
Energy: 1.5337856176802493
Energy: 1.020221623180299
Energy: 1.2730974799132357
Energy: 1.020221623180495

minimum gb energy = 1.0003651090544818 eV
minimum distance =  2.35631995952225 Angstroms
sigma value = 25


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

Energy: 1.773304882225666
Energy: 1.1226300773068136
Energy: 1.1233128900715446
Energy: 1.145652198133899
Energy: 1.434308277995969
Energy: 1.228982411288444
Energy: 1.2293836471332675
Energy: 1.228982411288444
Energy: 1.3794040646847243
Energy: 1.1212845394071311
Energy: 1.1207902165853902
Energy: 1.1212845394071311
Energy: 1.430775512916795
Energy: 1.1388427671885617
Energy: 1.1384285696954461
Energy: 1.1388427671890466
Energy: 1.3127698944472865
Energy: 1.1614702054134878
Energy: 1.3786367880859547
Energy: 1.1614702054132722
Energy: 1.3790697397536344
Energy: 1.191824023162288
Energy: 1.3811767200644571
Energy: 1.1918240231620458
Energy: 1.3789680369192212
Energy: 1.1612480941492986
Energy: 1.4455085295764545
Energy: 1.1612480941488406
Energy: 1.1215250433589965
Energy: 1.1223022921140613
Energy: 1.4474848844106345
Energy: 1.1223022921140613
Energy: 1.1200823666537856
Energy: 1.1212735344788582
Energy: 1.4317897547504983
Energy: 1.121273534478616
Energy: 1.22908860714013
Energy: 1.1538279256232185
Energy: 1.4334251832800944
Energy: 1.1538279256237032
Energy: 1.137130166898448
Energy: 1.1226847309570513
Energy: 1.425928960830767
Energy: 1.1226847309572938
Energy: 1.2650476683119674
Energy: 1.1529855310571289
Energy: 1.4272176916614612
Energy: 1.1529855310573713
Energy: 1.3171228181209438
Energy: 1.1211923208134917
Energy: 1.4318689998150422
Energy: 1.1211923208134917
Energy: 1.3170136763620435
Energy: 1.1214115213027687
Energy: 1.3200544795027593
Energy: 1.1214115213027687
Energy: 1.3793835429566246
Energy: 1.1214528399858572
Energy: 1.317943250174633
Energy: 1.1214528399860997
Energy: 1.4324370098603312
Energy: 1.1214766619864192
Energy: 1.3793533652147068
Energy: 1.1214766619866616
Energy: 1.3776653592735986
Energy: 1.1214893797139063
Energy: 1.2632992314598133
Energy: 1.1214893797146335

minimum gb energy = 1.1200823666537856 eV
minimum distance =  2.3198107771451 Angstroms
sigma value = 17


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

Energy: 1.6280173318114666
Energy: 1.1918550240535264
Energy: 1.1910790814483885
Energy: 1.1803895859695588
Energy: 1.3785060069867991
Energy: 1.3159711491341815
Energy: 1.3160919382784115
Energy: 1.3159711491341815
Energy: 1.3914399969285114
Energy: 1.1905091183880367
Energy: 1.1905821056878805
Energy: 1.1905091183880367
Energy: 1.3828724504257033
Energy: 1.194573462130485
Energy: 1.194464277596591
Energy: 1.194573462130485
Energy: 1.3806195656346842
Energy: 1.2277231854549726
Energy: 1.3800568028409401
Energy: 1.2277231854549726
Energy: 1.391641526328093
Energy: 1.1639857275757743
Energy: 1.3820091136083743
Energy: 1.1639857275757743
Energy: 1.3381500619651403
Energy: 1.1627737054432103
Energy: 1.3758555485842578
Energy: 1.1627737054432103
Energy: 1.2205073345449282
Energy: 1.220842020425492
Energy: 1.406934681223904
Energy: 1.220842020425492
Energy: 1.17688935306545
Energy: 1.1619038653872649
Energy: 1.3908572328594182
Energy: 1.1619038653859226
Energy: 1.181416966200419
Energy: 1.1751642619861666
Energy: 1.3908008974730508
Energy: 1.1751642619848244
Energy: 1.1865182260157654
Energy: 1.1649458221139484
Energy: 1.3772928761833163
Energy: 1.1649458221139484
Energy: 1.3886221363887266
Energy: 1.1827497809888448
Energy: 1.3931193765844556
Energy: 1.1827497809901872
Energy: 1.3789328341961289
Energy: 1.1831734202967978
Energy: 1.3873412763990924
Energy: 1.1831734202954556
Energy: 1.3787717122968155
Energy: 1.1625788108991946
Energy: 1.1853581927891863
Energy: 1.1625788108991946
Energy: 1.3910055907595882
Energy: 1.1619041854432584
Energy: 1.180804458012372
Energy: 1.1619041854432584
Energy: 1.3909702130915294
Energy: 1.162453966998687
Energy: 1.2011572931091088
Energy: 1.162453966998687
Energy: 1.3954013221170039
Energy: 1.1617551944651052
Energy: 1.1630073176322524
Energy: 1.1617551944664475
Energy: 1.3953086886765038
Energy: 1.1739832259939538
Energy: 1.352511102792062
Energy: 1.173983225995296
Energy: 1.380882642069863
Energy: 1.1623433058607653
Energy: 1.3790869675269282
Energy: 1.1623433058607653
Energy: 1.1909665455304972
Energy: 1.227393881149096
Energy: 1.3655559854854098
Energy: 1.227393881149096
Energy: 1.1938397718608362
Energy: 1.194098877991863
Energy: 1.3775489699884245
Energy: 1.194098877991863
Energy: 1.1918047269699896
Energy: 1.1907873290612139
Energy: 1.3783257451285225
Energy: 1.1907873290612139
Energy: 1.3169973974298557
Energy: 1.3011687382914088
Energy: 1.387136788735184
Energy: 1.3011687382914088
Energy: 1.2587063984115214
Energy: 1.1919707050912474
Energy: 1.3943640955419525
Energy: 1.1919707050912474
Energy: 1.3447650128185025
Energy: 1.1911765766030642
Energy: 1.3779871511749309
Energy: 1.1911765766030642
Energy: 1.2948419159874491
Energy: 1.19035267694147
Energy: 1.379142183280949
Energy: 1.1903526769401278
Energy: 1.308693149621302
Energy: 1.2293697301366489
Energy: 1.298656573089551
Energy: 1.2293697301366489
Energy: 1.3923322548650632
Energy: 1.1905966090083218
Energy: 1.295228648810458
Energy: 1.1905966090083218
Energy: 1.3784364523845554
Energy: 1.1906904447526891
Energy: 1.4218122077895707
Energy: 1.1906904447526891
Energy: 1.4019806115238806
Energy: 1.192000050190256
Energy: 1.2446749094850638
Energy: 1.192000050190256

minimum gb energy = 1.1617551944651052 eV
minimum distance =  2.29990190986031 Angstroms
sigma value = 53


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

Energy: 1.1311087379673253
Energy: 1.1696660012713311
Energy: 1.1712311295169648
Energy: 1.1386776451502316
Energy: 1.172138959225239
Energy: 1.1719044701160146
Energy: 1.2222868900701735
Energy: 1.1719044701163308
Energy: 1.3109455402090147
Energy: 1.1774859063089527
Energy: 1.2202116708079336
Energy: 1.1774859063089527
Energy: 1.308951667528758
Energy: 1.2228241219915974
Energy: 1.3074214594368276
Energy: 1.2228241219919136
Energy: 1.3088072666883002
Energy: 1.1745753839566453
Energy: 1.2232218880697758
Energy: 1.1745753839566453
Energy: 1.3094808944384055
Energy: 1.1746801039276689
Energy: 1.3070406741251064
Energy: 1.174680103927072
Energy: 1.3091172586072097
Energy: 1.1784811967848203
Energy: 1.1347783552959034
Energy: 1.1784811967848203
Energy: 1.2205417616897636
Energy: 1.1756855100923977
Energy: 1.1351906083733752
Energy: 1.1756855100929946
Energy: 1.2228429359470347
Energy: 1.1751116927249787
Energy: 1.309170723374756
Energy: 1.1751116927255756
Energy: 1.2203770427516316
Energy: 1.1782312857805313
Energy: 1.3107373116640444
Energy: 1.1782312857811634
Energy: 1.220684968739263
Energy: 1.1694833578953234
Energy: 1.3087130929406678
Energy: 1.1694833578950072
Energy: 1.3084230575712146
Energy: 1.2202075692427974
Energy: 1.3086530098450682
Energy: 1.2202075692437102
Energy: 1.135129196396232
Energy: 1.1786309852287713
Energy: 1.3106784730626986
Energy: 1.1786309852287713

minimum gb energy = 1.1311087379673253 eV
minimum distance =  2.32553760697654 Angstroms
sigma value = 9


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

Energy: 2.0027385972339466
Energy: 1.375209764122211
Energy: 1.4073791040197576
Energy: 1.3573044296023586
Energy: 1.4236197852309864
Energy: 1.3594327863176117
Energy: 1.4395253155021617
Energy: 1.3594327863176117
Energy: 1.3533033207489782
Energy: 1.321565131007859
Energy: 1.334843589684162
Energy: 1.3215651310090029
Energy: 1.3524409664068282
Energy: 1.3244606387036786
Energy: 1.332278429975381
Energy: 1.3244606387048223
Energy: 1.3311035359766366
Energy: 1.3192531374034122
Energy: 1.3690305467198536
Energy: 1.3192531374022685
Energy: 1.427332970079193
Energy: 1.3482052821657218
Energy: 1.4117186044240158
Energy: 1.3482052821657218
Energy: 1.4395411717097193
Energy: 1.4404462241652172
Energy: 1.6421964288890876
Energy: 1.4404462241652172
Energy: 1.534384337302873
Energy: 1.4391072966077707
Energy: 1.5798002564045746
Energy: 1.4391072966077707
Energy: 1.5196740861823923
Energy: 1.2541140654953504
Energy: 1.4406882327638209
Energy: 1.2541140654942065
Energy: 1.3940199915776
Energy: 1.2535317570312334
Energy: 1.254643482182226
Energy: 1.2535317570300895
Energy: 1.5030805090276982
Energy: 1.2542249811794268
Energy: 1.2515280131300006
Energy: 1.2542249811794268
Energy: 1.4772946313239372
Energy: 1.3290600811361213
Energy: 1.3315926541698697
Energy: 1.3290600811361213
Energy: 1.5814659538260631
Energy: 1.3283753406035426
Energy: 1.3280618669661324
Energy: 1.3283753406046863
Energy: 1.5812997806719238
Energy: 1.3285731651119148
Energy: 1.5282844332323742
Energy: 1.3285731651107708
Energy: 1.4792918299950586
Energy: 1.2597083557206363
Energy: 1.527236866199208
Energy: 1.2597083557194926
Energy: 1.3458080897817741
Energy: 1.2467728992718132
Energy: 1.553278939417432
Energy: 1.2467728992718132
Energy: 1.245054976883865
Energy: 1.2460554966473665
Energy: 1.6021792817392597
Energy: 1.2460554966485102
Energy: 1.323381692186813
Energy: 1.317754356411043
Energy: 1.5498203592096982
Energy: 1.3177543564076113
Energy: 1.2682879902290878
Energy: 1.270641126080155
Energy: 1.5854614694821836
Energy: 1.2706411260812986
Energy: 1.3710125066285916
Energy: 1.2966605325708749
Energy: 1.5987393211852254
Energy: 1.2966605325720186
Energy: 1.494295133543046
Energy: 1.2794635424797123
Energy: 1.4937396707429345
Energy: 1.2794635424774246
Energy: 1.526832845906554
Energy: 1.270769803821971
Energy: 1.4929971178528867
Energy: 1.2707698038231148
Energy: 1.5249415520118745
Energy: 1.2710380539389494
Energy: 1.270331611967535
Energy: 1.2710380539378057
Energy: 1.5277958585972409
Energy: 1.2946315215496633
Energy: 1.2706487356565137
Energy: 1.2946315215496633
Energy: 1.6058441838216222
Energy: 1.2459828765599268
Energy: 1.2431994514956999
Energy: 1.2459828765622145
Energy: 1.4751098832848402
Energy: 1.2462229702529546
Energy: 1.2463440510696444
Energy: 1.2462229702518106
Energy: 1.5492184472841177
Energy: 1.245509241184077
Energy: 1.49942776446987
Energy: 1.2455092411852207
Energy: 1.5266926740810078
Energy: 1.3337838901854406
Energy: 1.6360570862478878
Energy: 1.3337838901854406
Energy: 1.3276880390118426
Energy: 1.3378481294349818
Energy: 1.6441370749627577
Energy: 1.3378481294349818
Energy: 1.326928643749543
Energy: 1.3757428201817032
Energy: 1.5608850559968046
Energy: 1.3757428201817032
Energy: 1.2539666327339005
Energy: 1.327783227350237
Energy: 1.5127755987724913
Energy: 1.327783227350237
Energy: 1.2544525258642196
Energy: 1.2547843900126683
Energy: 1.4888090503354152
Energy: 1.2547843900115245
Energy: 1.2536215212967783
Energy: 1.2551978319120343
Energy: 1.476026265129113
Energy: 1.2551978319120343
Energy: 1.4238349648973943
Energy: 1.3488103055561573
Energy: 1.5226191875698099
Energy: 1.348810305557301
Energy: 1.6431396368246676
Energy: 1.422240445781858
Energy: 1.4830768855023644
Energy: 1.422240445781858

minimum gb energy = 1.2431994514956999 eV
minimum distance =  2.29089599732344 Angstroms
sigma value = 73


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

Energy: 1.7845019123716628
Energy: 1.4062905054308426
Energy: 1.4136622061253097
Energy: 1.380056352361457
Energy: 1.4585692249114874
Energy: 1.3472558469587055
Energy: 1.4286311549012665
Energy: 1.347255846959056
Energy: 1.357148927549969
Energy: 1.315542791045343
Energy: 1.3546603284039767
Energy: 1.3155427910457143
Energy: 1.3554843145162923
Energy: 1.3173815613887576
Energy: 1.3510506379974387
Energy: 1.3173815613885722
Energy: 1.3495682955686616
Energy: 1.3272440164290198
Energy: 1.379029602379612
Energy: 1.3272440164290198
Energy: 1.4118744152384466
Energy: 1.35913990517336
Energy: 1.4584862245043793
Energy: 1.3591399051731743
Energy: 1.4298783037359182
Energy: 1.4305642235666227
Energy: 1.5889291362979931
Energy: 1.4305642235664369
Energy: 1.5750346046065293
Energy: 1.430004412016593
Energy: 1.5886930725561657
Energy: 1.430004412016964
Energy: 1.5598390788811136
Energy: 1.2401070213982557
Energy: 1.4577926963270296
Energy: 1.2401070213978846
Energy: 1.4427904369499176
Energy: 1.2424743805385259
Energy: 1.2401122653797794
Energy: 1.2424743805392475
Energy: 1.5576368876855882
Energy: 1.2398764374308047
Energy: 1.236547182395979
Energy: 1.2398764374306193
Energy: 1.4970827274556215
Energy: 1.3745439457557678
Energy: 1.271851970879361
Energy: 1.3745439457554172
Energy: 1.5508290068229678
Energy: 1.272164510091987
Energy: 1.272124461169717
Energy: 1.272164510091987
Energy: 1.5507151755043147
Energy: 1.2728528098971268
Energy: 1.5085984410892896
Energy: 1.2728528098976628
Energy: 1.5665519990906382
Energy: 1.3317317822148582
Energy: 1.56668523535401
Energy: 1.3317317822152295
Energy: 1.5941345703338412
Energy: 1.2724624016709882
Energy: 1.641469620868281
Energy: 1.2724624016708026
Energy: 1.271887938521904
Energy: 1.2719328794440825
Energy: 1.6396451538316963
Energy: 1.271932879443526
Energy: 1.2889137825777235
Energy: 1.3413697448304776
Energy: 1.4976463399148117
Energy: 1.3413697448308488
Energy: 1.239000401074898
Energy: 1.2401657274489766
Energy: 1.5697270694950147
Energy: 1.2401657274489766
Energy: 1.2408629574629273
Energy: 1.2408092787222014
Energy: 1.5601510656546824
Energy: 1.2408092787227376
Energy: 1.4581997445009525
Energy: 1.2409233817884295
Energy: 1.563656363311409
Energy: 1.240923381788615
Energy: 1.6355004367793773
Energy: 1.4537252517511245
Energy: 1.5754194462768714
Energy: 1.4537252517507737

minimum gb energy = 1.236547182395979 eV
minimum distance =  2.28885417935907 Angstroms
sigma value = 7


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

Energy: 2.418136186358978
Energy: 1.4087830172236568
Energy: 1.4089628569677985
Energy: 1.3118156839584234
Energy: 1.556284628032916
Energy: 1.3103672837559142
Energy: 1.4371107330986344
Energy: 1.3103672837571974
Energy: 1.4714857108183172
Energy: 1.2912127634938066
Energy: 1.3701613432539312
Energy: 1.2912127634938066
Energy: 1.3710071765150806
Energy: 1.2915091116913882
Energy: 1.3665017703044111
Energy: 1.2915091116913882
Energy: 1.3669362299461876
Energy: 1.294674461289962
Energy: 1.373549270513069
Energy: 1.2946744612886787
Energy: 1.4038452053309851
Energy: 1.311484308317431
Energy: 1.4708522257100178
Energy: 1.3114843083187144
Energy: 1.4395497353881648
Energy: 1.4408731981809215
Energy: 1.6556985789330931
Energy: 1.4408731981809215
Energy: 1.6439571348739188
Energy: 1.4391839898992838
Energy: 1.6556634963342873
Energy: 1.4391839899005672
Energy: 1.6083704039940239
Energy: 1.2553441463909492
Energy: 1.554894942890084
Energy: 1.2553441463909492
Energy: 1.493355731476566
Energy: 1.260576312679283
Energy: 1.256166552045167
Energy: 1.260576312679283
Energy: 1.6068381964739857
Energy: 1.2557058960242942
Energy: 1.2514472167214088
Energy: 1.2557058960242942
Energy: 1.550467511972937
Energy: 1.261026655058183
Energy: 1.2556184883084553
Energy: 1.261026655058183
Energy: 1.608744758557577
Energy: 1.2562586194745022
Energy: 1.2570234040441468
Energy: 1.2562586194745022
Energy: 1.6082033387095478
Energy: 1.257427365045039
Energy: 1.4517505231438104
Energy: 1.2574273650437555
Energy: 1.646231121654553
Energy: 1.3096768579436175
Energy: 1.555856919944166
Energy: 1.3096768579423341
Energy: 1.6305976914760383
Energy: 1.458673597483772
Energy: 1.6796004601758348
Energy: 1.4586735974850553
Energy: 1.43920122546009
Energy: 1.3117403693046454
Energy: 1.6789756598734296
Energy: 1.3117403693046454
Energy: 1.3916475577345884
Energy: 1.2951221639848545
Energy: 1.470841845164393
Energy: 1.2951221639848545
Energy: 1.3695805606015163
Energy: 1.2964407555323039
Energy: 1.373136877531172
Energy: 1.2964407555323039
Energy: 1.372514031592473
Energy: 1.2958094433872767
Energy: 1.37121143014247
Energy: 1.2958094433872767
Energy: 1.4716882503439528
Energy: 1.2946245036336297
Energy: 1.4060644541054064
Energy: 1.2946245036336297
Energy: 1.6557273271471618
Energy: 1.4397033445805012
Energy: 1.4406076153498117
Energy: 1.4397033445817846
Energy: 1.6556441798036572
Energy: 1.4403382557296127
Energy: 1.6467525106097889
Energy: 1.4403382557296127
Energy: 1.5554950428542673
Energy: 1.25537983470114
Energy: 1.6196631291784342
Energy: 1.25537983470114
Energy: 1.4518472105046554
Energy: 1.260779278081579
Energy: 1.493537173407222
Energy: 1.260779278081579
Energy: 1.2526165866616452
Energy: 1.255764448529989
Energy: 1.4906003807958208
Energy: 1.255764448529989
Energy: 1.2562476252416124
Energy: 1.259605668964543
Energy: 1.5456155495219308
Energy: 1.259605668964543
Energy: 1.2529867995036048
Energy: 1.2556830823085525
Energy: 1.6081070367788997
Energy: 1.2556830823085525
Energy: 1.2561042593589336
Energy: 1.258565659659439
Energy: 1.6080914992795126
Energy: 1.258565659659439
Energy: 1.5559054110926904
Energy: 1.255401576615843
Energy: 1.6198639379579056
Energy: 1.255401576615843
Energy: 1.6788812007965896
Energy: 1.310921917049533
Energy: 1.627216152333057
Energy: 1.310921917049533

minimum gb energy = 1.2514472167214088 eV
minimum distance =  2.29837236351677 Angstroms
sigma value = 29


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

Energy: 1.698687406380166
Energy: 1.3124839839421767
Energy: 1.3159842737856047
Energy: 1.1404613672285036
Energy: 1.3154581820989137
Energy: 1.1991891328163466
Energy: 1.3138124093019072
Energy: 1.1991891328163466
Energy: 1.323042964718405
Energy: 1.1964921409027773
Energy: 1.3164498919883814
Energy: 1.1964921409031992
Energy: 1.3163494882959133
Energy: 1.1945424219560647
Energy: 1.1136519117311185
Energy: 1.194542421955618
Energy: 1.3186415879413385
Energy: 1.1941879085021494
Energy: 1.353451031666698
Energy: 1.1941879085021494
Energy: 1.3109286161097413
Energy: 1.1925667965119033
Energy: 1.3541974611618819
Energy: 1.1925667965127726
Energy: 1.3738054410035536
Energy: 1.372585770046458
Energy: 1.3041501265382307
Energy: 1.3725857700469049
Energy: 1.3702630598585344
Energy: 1.200350530952163
Energy: 1.3762704017173975
Energy: 1.2003505309517157
Energy: 1.4861022997244675
Energy: 1.1996543717456143
Energy: 1.354934128405118
Energy: 1.1996543717460615

minimum gb energy = 1.1136519117311185 eV
minimum distance =  2.3649424637243 Angstroms
sigma value = 5


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

Energy: 1.6675451701026447
Energy: 1.5803467337618209
Energy: 1.4942256458287713
Energy: 1.5280255528296418
Energy: 1.21226016301187
Energy: 1.21925240033584
Energy: 1.464902639994953
Energy: 1.219252400334628
Energy: 1.2121230661209719
Energy: 1.2152521341616516
Energy: 1.4137838790936728
Energy: 1.2152521341616516
Energy: 1.2074689516318085
Energy: 1.2169685358814488
Energy: 1.4465842854306583
Energy: 1.2169685358814488
Energy: 1.208923863050922
Energy: 1.2177307574743905
Energy: 1.287189820989649
Energy: 1.2177307574743905
Energy: 1.2338997084471528
Energy: 1.245721820578994
Energy: 1.2504009237834843
Energy: 1.245721820578994
Energy: 1.2331079004488557
Energy: 1.2463222619694725
Energy: 1.396117473567964
Energy: 1.2463222619694725
Energy: 1.2375244787424482
Energy: 1.2435196616671287
Energy: 1.403601076631759
Energy: 1.2435196616671287
Energy: 1.237738358854071
Energy: 1.2448004429765738
Energy: 1.3609717895132678
Energy: 1.2448004429765738
Energy: 1.409780784420908
Energy: 1.4384640356289395
Energy: 1.5152064590602679
Energy: 1.4384640356289395
Energy: 1.2376846740137872
Energy: 1.2641554551542047
Energy: 1.452798118592292
Energy: 1.2641554551529925
Energy: 1.527026232005586
Energy: 1.292423978552091
Energy: 1.3805982611644394
Energy: 1.292423978552091
Energy: 1.4171204442974934
Energy: 1.3578366470552126
Energy: 1.5240090991500925
Energy: 1.3578366470552126
Energy: 1.2507826216702855
Energy: 1.2460782189280046
Energy: 1.2373907409409486
Energy: 1.2460782189292168
Energy: 1.396128551993485
Energy: 1.2454676355996455
Energy: 1.2369793405861287
Energy: 1.2454676356008576
Energy: 1.3940510109419915
Energy: 1.2436545189361148
Energy: 1.2373088809147266
Energy: 1.2436545189349026
Energy: 1.3148046784708203
Energy: 1.2476561912030517
Energy: 1.2714471891917374
Energy: 1.2476561912030517
Energy: 1.4873703600650372
Energy: 1.2155687155468384
Energy: 1.2074358045531015
Energy: 1.2155687155456263
Energy: 1.4910118768099
Energy: 1.255781551636132
Energy: 1.211322393761265
Energy: 1.255781551636132
Energy: 1.4881795102533353
Energy: 1.2164655880484188
Energy: 1.2119555951391874
Energy: 1.2164655880484188
Energy: 1.5677148696597987
Energy: 1.3296892876776616
Energy: 1.323498891584181
Energy: 1.3296892876764492
Energy: 1.6771940579278748
Energy: 1.4787444111730923
Energy: 1.3237011439357282
Energy: 1.4787444111743047
Energy: 1.2975521420301925
Energy: 1.2182585868901814
Energy: 1.212289091924958
Energy: 1.2182585868913933
Energy: 1.528963739482783
Energy: 1.2586951930272718
Energy: 1.3187580366117033
Energy: 1.2586951930272718
Energy: 1.525781746083124
Energy: 1.216110751565041
Energy: 1.2561046954357722
Energy: 1.216110751565041
Energy: 1.2963810226802124
Energy: 1.261682374621989
Energy: 1.3026755649836048
Energy: 1.2616823746207766
Energy: 1.293116132229224
Energy: 1.2615840026658671
Energy: 1.2957319801434029
Energy: 1.2615840026646548
Energy: 1.2965076859092908
Energy: 1.258149998771613
Energy: 1.2930300061592712
Energy: 1.258149998771613
Energy: 1.2272585959597506
Energy: 1.26079655095438
Energy: 1.2988550740898324
Energy: 1.26079655095438
Energy: 1.2553768931787628
Energy: 1.2571369395040832
Energy: 1.486903630157098
Energy: 1.2571369395040832
Energy: 1.3190343966438562
Energy: 1.257814872834679
Energy: 1.4865533475266035
Energy: 1.257814872833467
Energy: 1.2128732578123458
Energy: 1.2186650203952587
Energy: 1.3287405255409535
Energy: 1.2186650203952587
Energy: 1.2451395413834618
Energy: 1.5700808000439754
Energy: 1.561143875519348
Energy: 1.5700808000439754

minimum gb energy = 1.2074358045531015 eV
minimum distance =  2.29475238190859 Angstroms
sigma value = 1


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

Energy: 2.0316430062736552
Energy: 1.4274141806560143
Energy: 1.429865716868966
Energy: 1.1546568976149076
Energy: 1.2162221634039352
Energy: 1.190507344567163
Energy: 1.1847716023686894
Energy: 1.1905073445654868
Energy: 1.191464808242676
Energy: 1.1887500545628695
Energy: 1.242422233292524
Energy: 1.1887500545645455
Energy: 1.1859444923130311
Energy: 1.1921888117323645
Energy: 1.2089262382254546
Energy: 1.1921888117323645
Energy: 1.1852526098030873
Energy: 1.2301402421812115
Energy: 1.2429980148395514
Energy: 1.2301402421828875
Energy: 1.1845302274807556
Energy: 1.1949205491783659
Energy: 1.2415396019894056
Energy: 1.1949205491783659
Energy: 1.1846663862582243
Energy: 1.1930737696068883
Energy: 1.2428632342379036
Energy: 1.1930737696085645
Energy: 1.1909697444394125
Energy: 1.1889567185259287
Energy: 1.2393234862873665
Energy: 1.1889567185259287
Energy: 1.1900533415652481
Energy: 1.2383719383270335
Energy: 1.1833490242723006
Energy: 1.2383719383270335
Energy: 1.2300541418288975
Energy: 1.4384059187048543
Energy: 1.4359555478006214
Energy: 1.4384059187065303
Energy: 1.1899778729217247
Energy: 1.237272038697321
Energy: 1.1899114466021743
Energy: 1.237272038697321
Energy: 1.1901070025221372
Energy: 1.1897204914321189
Energy: 1.2087853904209882
Energy: 1.1897204914321189
Energy: 1.1803090856797163
Energy: 1.1919472770487423
Energy: 1.2086873320465996
Energy: 1.191947277047066
Energy: 1.1847042696124837
Energy: 1.2358735698411512
Energy: 1.216319374893361
Energy: 1.2358735698411512
Energy: 1.2089420082186952
Energy: 1.1911689284397164
Energy: 1.1904870588341863
Energy: 1.1911689284397164
Energy: 1.2090663541236495
Energy: 1.188309208705436
Energy: 1.1890412146449092
Energy: 1.188309208705436
Energy: 1.2387950090423598
Energy: 1.1980744816154356
Energy: 1.2112773357813154
Energy: 1.1980744816154356
Energy: 1.241090379411002
Energy: 1.1888301084527015
Energy: 1.1894082720986605
Energy: 1.1888301084527015
Energy: 1.2426974679632645
Energy: 1.196440870385113
Energy: 1.188621848490916
Energy: 1.196440870385113
Energy: 1.2417204815721612
Energy: 1.1922191338346066
Energy: 1.190098712592179
Energy: 1.1922191338346066
Energy: 1.4220692892022284
Energy: 1.1901744740686067
Energy: 1.2303761695260405
Energy: 1.1901744740686067
Energy: 1.439808936956706
Energy: 1.4245827459414557
Energy: 1.2305109550548456
Energy: 1.4245827459414557
Energy: 1.2160658099968409
Energy: 1.2354758937698944
Energy: 1.190109843054707
Energy: 1.2354758937715704
Energy: 1.2082761258579564
Energy: 1.191785195033624
Energy: 1.1900845926274177
Energy: 1.191785195033624

minimum gb energy = 1.1546568976149076 eV
minimum distance =  2.29529793800862 Angstroms
sigma value = 17


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

Energy: 1.6225895632561311
Energy: 1.6340155467113553
Energy: 1.72987668122594
Energy: 1.5281231457784636
Energy: 1.18890560251301
Energy: 1.2202687879069474
Energy: 1.2124238526858602
Energy: 1.2202687879048755
Energy: 1.1885356657880137
Energy: 1.190790817795684
Energy: 1.427561125582211
Energy: 1.1907908177967201
Energy: 1.1883034515880846
Energy: 1.1928751962154094
Energy: 1.4293978795020914
Energy: 1.1928751962164452
Energy: 1.1897643934700397
Energy: 1.194044818407896
Energy: 1.3286310429989667
Energy: 1.1940448184089318
Energy: 1.2558916551017398
Energy: 1.2194454996625763
Energy: 1.2672824178116995
Energy: 1.2194454996605046
Energy: 1.2565525312587895
Energy: 1.2203782331366517
Energy: 1.255102644372125
Energy: 1.2203782331356159
Energy: 1.2721254901989796
Energy: 1.220731839584018
Energy: 1.2538232069584958
Energy: 1.220731839585054
Energy: 1.3272493419053515
Energy: 1.1911511919294218
Energy: 1.1872588107698323
Energy: 1.1911511919273499
Energy: 1.3902910694374364
Energy: 1.1950831206558559
Energy: 1.1914653213085136
Energy: 1.1950831206558559
Energy: 1.2122882626609446
Energy: 1.192631987472311
Energy: 1.1887422080035712
Energy: 1.192631987472311
Energy: 1.4993905515822286
Energy: 1.216554344763053
Energy: 1.212835991371829
Energy: 1.2165543447640887
Energy: 1.516961947790097
Energy: 1.4434297695727374
Energy: 1.211798833018952
Energy: 1.4434297695727374
Energy: 1.2154277503747268
Energy: 1.198456939988674
Energy: 1.1887449012807816
Energy: 1.198456939988674
Energy: 1.4244962544403632
Energy: 1.1912377793096842
Energy: 1.2968024080886555
Energy: 1.1912377793096842
Energy: 1.2236413584869472
Energy: 1.1904175184592902
Energy: 1.262831925334586
Energy: 1.1904175184592902
Energy: 1.215213197537852
Energy: 1.219070189305134
Energy: 1.322361337758734
Energy: 1.2190701893040983
Energy: 1.2139549092485873
Energy: 1.2217224179264043
Energy: 1.3247821084399116
Energy: 1.2217224179284762
Energy: 1.219952298545193
Energy: 1.215050093322007
Energy: 1.324743247688558
Energy: 1.2150500933199353
Energy: 1.241542643479905
Energy: 1.260180869056456
Energy: 1.3456065693957775
Energy: 1.2601808690574918
Energy: 1.2013387526657866
Energy: 1.204033510627043
Energy: 1.394742293563881
Energy: 1.204033510624971
Energy: 1.2024015563411514
Energy: 1.205230077702977
Energy: 1.3975967556249802
Energy: 1.205230077702977
Energy: 1.198280525021527
Energy: 1.2087601462461444
Energy: 1.191143586714533
Energy: 1.2087601462451085
Energy: 1.3321364609743285
Energy: 1.431626191746147
Energy: 1.4334347681353665
Energy: 1.431626191746147
Energy: 1.213390757696948
Energy: 1.2042793935052247
Energy: 1.3129312965411524
Energy: 1.2042793935052247
Energy: 1.1975934808057833
Energy: 1.205711821437909
Energy: 1.199344813559506
Energy: 1.205711821437909
Energy: 1.4919123505682854
Energy: 1.4652959801669714
Energy: 1.221776844397511
Energy: 1.4652959801669714
Energy: 1.1979304482646838
Energy: 1.2047530977637464
Energy: 1.204881691551523
Energy: 1.2047530977647825
Energy: 1.3949566761074408
Energy: 1.204280959890234
Energy: 1.198475485005355
Energy: 1.2042809598891981
Energy: 1.3609032326961452
Energy: 1.2071428369459503
Energy: 1.1963388309370329
Energy: 1.2071428369459503
Energy: 1.3956342281973924
Energy: 1.206720929475825
Energy: 1.1967324520088647
Energy: 1.206720929475825
Energy: 1.3425068571207281
Energy: 1.2219257419623177
Energy: 1.2150151718799362
Energy: 1.2219257419633536
Energy: 1.3262958026706055
Energy: 1.2180662473442043
Energy: 1.2149798966622194
Energy: 1.2180662473442043
Energy: 1.3398332329750693
Energy: 1.216264332019673
Energy: 1.215599961702977
Energy: 1.216264332019673
Energy: 1.1862449387819045
Energy: 1.1915612322702736
Energy: 1.2157330784621725
Energy: 1.1915612322692377
Energy: 1.2638623544831664
Energy: 1.2968827140744479
Energy: 1.3254066641025801
Energy: 1.2968827140744479
Energy: 1.1885269165548582
Energy: 1.1921020378299794
Energy: 1.2155648443764133
Energy: 1.1921020378289435
Energy: 1.2031696783652408
Energy: 1.216840220563777
Energy: 1.4370919298958513
Energy: 1.2168402205617048

minimum gb energy = 1.1862449387819045 eV
minimum distance =  2.28754968413026 Angstroms
sigma value = 89


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

Energy: 2.198228601211614
Energy: 1.4067808481608106
Energy: 1.4765331371211206
Energy: 1.140922097515037
Energy: 1.201630891955791
Energy: 1.14789235238137
Energy: 1.1340932966664592
Energy: 1.14789235238137
Energy: 1.1390072926478076
Energy: 1.1451027434523238
Energy: 1.2635215644332871
Energy: 1.1451027434526009
Energy: 1.1323784891264697
Energy: 1.1459879652742921
Energy: 1.2644508035501882
Energy: 1.1459879652742921
Energy: 1.1354400167024612
Energy: 1.1500304836652693
Energy: 1.2284532488961137
Energy: 1.150030483664992
Energy: 1.2027433820701385
Energy: 1.147941432518451
Energy: 1.1987040628206815
Energy: 1.1479414325190054
Energy: 1.2029121099259195
Energy: 1.145899665157203
Energy: 1.2040030370934336
Energy: 1.1458996651577573
Energy: 1.2277414988249042
Energy: 1.14708866771215
Energy: 1.1979166199349975
Energy: 1.1470886677124272
Energy: 1.2146469074360002
Energy: 1.1465380415351603
Energy: 1.1330397779107415
Energy: 1.1465380415354378
Energy: 1.2146212501751792
Energy: 1.1545528121720674
Energy: 1.1367214192195065
Energy: 1.1545528121715438
Energy: 1.2136731407476888
Energy: 1.1453259591373077
Energy: 1.1399640376717544
Energy: 1.145325959136753
Energy: 1.1343290170921219
Energy: 1.1448276556876824
Energy: 1.208681208802672
Energy: 1.1448276556876824
Energy: 1.4187468843604905
Energy: 1.1339479200165854
Energy: 1.2089000299829826
Energy: 1.1339479200160312
Energy: 1.1387409044258092
Energy: 1.2419273575530014
Energy: 1.13874140967257
Energy: 1.241927357552724
Energy: 1.125629907806182
Energy: 1.1466003640516305
Energy: 1.138313561841099
Energy: 1.146600364052185

minimum gb energy = 1.125629907806182 eV
minimum distance =  2.3003644488452 Angstroms
sigma value = 13


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

Energy: 1.3354577966068846
Energy: 1.3775280642915186
Energy: 1.4105848981438334
Energy: 1.1205990155149554
Energy: 1.1156448157038679
Energy: 1.1165228066932378
Energy: 1.1137870573317084
Energy: 1.1165228066932378
Energy: 1.114931425178093
Energy: 1.114299389678933
Energy: 1.298686383985164
Energy: 1.114299389677797
Energy: 1.1130406492994804
Energy: 1.1138266624465991
Energy: 1.291506973806102
Energy: 1.1138266624465991
Energy: 1.1996020601431394
Energy: 1.116638303995389
Energy: 1.1858083333747014
Energy: 1.116638303995389
Energy: 1.235301156098481
Energy: 1.0988046808854253
Energy: 1.1342330845857616
Energy: 1.098804680884289
Energy: 1.2283682815102301
Energy: 1.09819894123528
Energy: 1.1492061765710053
Energy: 1.09819894123528
Energy: 1.2555930552972154
Energy: 1.0996232088400586
Energy: 1.1338563075470685
Energy: 1.0996232088400586
Energy: 1.2144207589311637
Energy: 1.1001818113043724
Energy: 1.1375011170386422
Energy: 1.1001818113043724
Energy: 1.2288863977184536
Energy: 1.1001730793736848
Energy: 1.1330931966580324
Energy: 1.1001730793725488
Energy: 1.2270167778083656
Energy: 1.1040691217111014
Energy: 1.1855381086943502
Energy: 1.1040691217111014
Energy: 1.1128433503217805
Energy: 1.1132416009595656
Energy: 1.2095244276147716
Energy: 1.1132416009595656
Energy: 1.1197178545431217
Energy: 1.1132197689093284
Energy: 1.2102175104602235
Energy: 1.1132197689104646
Energy: 1.1150574624194167
Energy: 1.119096759691258
Energy: 1.2118656055973651
Energy: 1.119096759691258
Energy: 1.2067347108902005
Energy: 1.1138234380425354
Energy: 1.3742737896124828
Energy: 1.1138234380413992
Energy: 1.2068724049769808
Energy: 1.1135899660536557
Energy: 1.115574246238437
Energy: 1.1135899660547919
Energy: 1.1154250946139321
Energy: 1.1194670861093174
Energy: 1.1152753639176756
Energy: 1.1194670861104534
Energy: 1.1157646760062752
Energy: 1.1177168810087446
Energy: 1.28885896699748
Energy: 1.1177168810053362
Energy: 1.1179375429249663
Energy: 1.1144595587970458
Energy: 1.1043400756647734
Energy: 1.1144595587970458
Energy: 1.2101025909669878
Energy: 1.1164267139472377
Energy: 1.1147234272834217
Energy: 1.1164267139483737
Energy: 1.336531679148777
Energy: 1.1156606289582065
Energy: 1.1129911802442465
Energy: 1.1156606289593427
Energy: 1.1848904992830245
Energy: 1.1170516321195265
Energy: 1.1149820341297954
Energy: 1.1170516321195265
Energy: 1.1374668887832065
Energy: 1.100162519685181
Energy: 1.2305668846499542
Energy: 1.100162519685181
Energy: 1.1407112969974145
Energy: 1.0990674322010099
Energy: 1.1588811787022777
Energy: 1.099067432202146
Energy: 1.1327836130628233
Energy: 1.1065497901058938
Energy: 1.2143973739688219
Energy: 1.10654979010703
Energy: 1.13389808125205
Energy: 1.1029765975573746
Energy: 1.2141778197376618
Energy: 1.1029765975573746
Energy: 1.1363370814213547
Energy: 1.1009028363439193
Energy: 1.2288985070463472
Energy: 1.1009028363439193
Energy: 1.1878455108438342
Energy: 1.1019616874957099
Energy: 1.227480161948418
Energy: 1.101961687496846
Energy: 1.1848919496671932
Energy: 1.1147069864364707
Energy: 1.1130025640370798
Energy: 1.1147069864364707
Energy: 1.2252409461596805
Energy: 1.114796023651834
Energy: 1.1150819278918334
Energy: 1.114796023651834
Energy: 1.2104535263607719
Energy: 1.1195631565884219
Energy: 1.114906291662859
Energy: 1.119563156587286
Energy: 1.1137587958864903
Energy: 1.1136467053856796
Energy: 1.2065035724333146
Energy: 1.1136467053856796
Energy: 1.3833248659882738
Energy: 1.1139988966426342
Energy: 1.206500917693561
Energy: 1.113998896641498
Energy: 1.115125688964881
Energy: 1.1194396263470225
Energy: 1.115451628677326
Energy: 1.1194396263481587
Energy: 1.1044244747196217
Energy: 1.1138161601526841
Energy: 1.1205911449365276
Energy: 1.1138161601526841

minimum gb energy = 1.09819894123528 eV
minimum distance =  2.31108125082712 Angstroms
sigma value = 37


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

Energy: 1.3182830803924368
Energy: 1.3124144990367963
Energy: 1.3381869265346966
Energy: 1.076443863211648
Energy: 1.0718125993748215
Energy: 1.0664742093709374
Energy: 1.0699179013051079
Energy: 1.0664742093707373
Energy: 1.0712898277693577
Energy: 1.0696529732224191
Energy: 1.2179444047302428
Energy: 1.069652973222619
Energy: 1.0697330311908977
Energy: 1.0673561475052673
Energy: 1.25074332889887
Energy: 1.0673561475052673
Energy: 1.122468290411205
Energy: 1.0804560810841768
Energy: 1.1276120942570391
Energy: 1.0804560810843544
Energy: 1.132188113677619
Energy: 1.0363091206054693
Energy: 1.0695914075909434
Energy: 1.0363091206054693
Energy: 1.132157405601488
Energy: 1.0349332004934706
Energy: 1.069598582342006
Energy: 1.0349332004932705
Energy: 1.1716938649755453
Energy: 1.0247965765370937
Energy: 1.0697068977582302
Energy: 1.0247965765374933
Energy: 1.104402877379314
Energy: 1.021982679007841
Energy: 1.104304880200234
Energy: 1.021982679007841
Energy: 1.104048193934941
Energy: 1.021399211913532
Energy: 1.1045704357103376
Energy: 1.021399211913532
Energy: 1.11290497966753
Energy: 1.1056988393255207
Energy: 1.172074393227868
Energy: 1.105698839325143
Energy: 1.069975228188587
Energy: 1.03576668206387
Energy: 1.1654961721064552
Energy: 1.0357666820636924
Energy: 1.0684087869842809
Energy: 1.0358984682424193
Energy: 1.1661236256262348
Energy: 1.0358984682424193
Energy: 1.1276868111023353
Energy: 1.0371292858593746
Energy: 1.1231664814150446
Energy: 1.037129285858797
Energy: 1.18873488641343
Energy: 1.066584911576427
Energy: 1.0715948503043722
Energy: 1.0665849115756496
Energy: 1.0689124935533183
Energy: 1.067481763789977
Energy: 1.0713088756773215
Energy: 1.0674817637897769
Energy: 1.1272035225991404
Energy: 1.0812642968215374
Energy: 1.0720713558937907
Energy: 1.0812642968217374
Energy: 1.3123862877997436
Energy: 1.3123503637858678
Energy: 1.163637188894212
Energy: 1.3123503637860674
Energy: 1.0711618929853843
Energy: 1.0692023944796514
Energy: 1.163417317427011
Energy: 1.0692023944790516
Energy: 1.0585396387760788
Energy: 1.0662575051307877
Energy: 1.0714088033074827
Energy: 1.0662575051313874

minimum gb energy = 1.021399211913532 eV
minimum distance =  2.30754108564387 Angstroms
sigma value = 25


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

Energy: 1.2701677000059515
Energy: 1.2065595428565625
Energy: 1.208420473038046
Energy: 1.0003391468258087
Energy: 0.9988759548271603
Energy: 0.9968963609644247
Energy: 0.9984136502849354
Energy: 0.9968963609644247
Energy: 0.9987683359644749
Energy: 0.9958827351080507
Energy: 1.0050613563651882
Energy: 0.9958827351095768
Energy: 0.998329328139197
Energy: 0.9908205865051838
Energy: 1.0988328415372037
Energy: 0.9908205865036576
Energy: 1.0019907002648787
Energy: 0.962293120169825
Energy: 1.0013217663255682
Energy: 0.9622931201682988
Energy: 1.1011271376722482
Energy: 0.9609025927046306
Energy: 1.0008398769803548
Energy: 0.9609025927046306
Energy: 1.1009763329146478
Energy: 0.9591997093124163
Energy: 1.0040170606967616
Energy: 0.9591997093124163
Energy: 1.0419778850091874
Energy: 0.9563181731319713
Energy: 1.058582986083508
Energy: 0.9563181731319713
Energy: 1.010842572014869
Energy: 0.9322293303707997
Energy: 1.075605378745205
Energy: 0.9322293303707997
Energy: 1.012265738982998
Energy: 0.9325634906731958
Energy: 1.0644348737988323
Energy: 0.9325634906731958
Energy: 1.0026973299791317
Energy: 0.9814276661126579
Energy: 1.0688708894943497
Energy: 0.9814276661126579
Energy: 1.0323209043101342
Energy: 0.9230102595017039
Energy: 1.03236742803009
Energy: 0.9230102595032302
Energy: 1.0440064318934337
Energy: 0.923577292298722
Energy: 1.032228975852141
Energy: 0.923577292298722
Energy: 1.0707321584310168
Energy: 0.935079424350249
Energy: 1.0136326783760297
Energy: 0.935079424350249
Energy: 1.0758432803554288
Energy: 0.9328392690963802
Energy: 1.0121642091712286
Energy: 0.9328392690963802
Energy: 1.0756070819326833
Energy: 0.93333752993728
Energy: 1.0112711423602894
Energy: 0.9333375299357537
Energy: 1.0010489972810641
Energy: 0.9613575402005861
Energy: 1.0424566675120908
Energy: 0.9613575402005861
Energy: 1.0036693124938756
Energy: 0.9595891975562262
Energy: 1.0556324991178843
Energy: 0.9595891975577523
Energy: 1.0007445915292208
Energy: 0.9631997811210654
Energy: 1.06189427806785
Energy: 0.9631997811210654
Energy: 1.001299502239615
Energy: 0.9966677452248368
Energy: 0.9984220250857442
Energy: 0.9966677452248368
Energy: 1.2206929035256728
Energy: 0.9926668355691881
Energy: 0.9992303721520174
Energy: 0.9926668355691881
Energy: 1.0010869560053555
Energy: 0.994843992482065
Energy: 0.9985252004769725
Energy: 0.994843992482065
Energy: 1.0008550386333586
Energy: 0.9948450427646622
Energy: 0.9969536996887134
Energy: 0.9948450427661887
Energy: 1.199668395272937
Energy: 0.9943969178085668
Energy: 0.9943180729671465
Energy: 0.9943969178070404
Energy: 0.9986606648579281
Energy: 0.9969756250623585
Energy: 0.9987955949399835
Energy: 0.9969756250623585
Energy: 1.002203838597298
Energy: 0.9921269817708109
Energy: 0.998449726889141
Energy: 0.9921269817708109

minimum gb energy = 0.9230102595017039 eV
minimum distance =  2.31700169558817 Angstroms
sigma value = 41


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

Energy: 1.2081811205437856
Energy: 1.1022656630567071
Energy: 1.1045752144964693
Energy: 0.9326983379176483
Energy: 0.9315197801536739
Energy: 0.899890363941615
Energy: 0.9351858268767935
Energy: 0.899890363941615
Energy: 0.9318159398222643
Energy: 0.926133671308481
Energy: 0.9393444515496868
Energy: 0.926133671308481
Energy: 0.9330840976585528
Energy: 0.9237236819226451
Energy: 1.0518651736567082
Energy: 0.9237236819226451
Energy: 0.9357279204511258
Energy: 0.9117605618767617
Energy: 0.9359047334340987
Energy: 0.911760561878013
Energy: 1.0540021460848195
Energy: 0.8977247517343778
Energy: 0.9354465799999141
Energy: 0.8977247517343778
Energy: 1.0538920941724803
Energy: 0.895843753536232
Energy: 0.9368093736132419
Energy: 0.895843753536232
Energy: 0.9707282221156289
Energy: 0.9619987350490892
Energy: 1.0108782880957454
Energy: 0.9619987350490892
Energy: 0.9463070549041867
Energy: 0.8680402861072362
Energy: 0.9581902896686354
Energy: 0.8680402861084876
Energy: 0.947928081244496
Energy: 0.8684276862773708
Energy: 0.9584836925628829
Energy: 0.8684276862773708
Energy: 0.9500024513791487
Energy: 0.8520447346612914
Energy: 0.9976109098079797
Energy: 0.8520447346600402
Energy: 0.9476863145700053
Energy: 0.8514271476410201
Energy: 0.9580670334137273
Energy: 0.8514271476422716
Energy: 0.9628683271475527
Energy: 0.8514198039504509
Energy: 0.9594872739599609
Energy: 0.8514198039491997
Energy: 0.9886742690932354
Energy: 0.8452900552655419
Energy: 0.9314935749263857
Energy: 0.8452900552655419
Energy: 0.9297988887379004
Energy: 0.844335057612329
Energy: 0.9289428444931593
Energy: 0.8443350576110777
Energy: 0.9300575873170958
Energy: 0.84560639672213
Energy: 0.9779644712374246
Energy: 0.84560639672213
Energy: 0.9459005327967874
Energy: 0.8509699132108673
Energy: 0.9886103907783985
Energy: 0.8509699132108673
Energy: 0.9387824056682487
Energy: 0.8509905245074364
Energy: 0.9467357892361906
Energy: 0.8509905245074364
Energy: 0.9719414546059013
Energy: 0.8505219438606964
Energy: 0.9465840938262635
Energy: 0.8505219438606964
Energy: 0.993524839557396
Energy: 0.868493412098579
Energy: 0.9467739215130372
Energy: 0.868493412098579
Energy: 1.0085967131038271
Energy: 0.8694818584703575
Energy: 0.9476987658690268
Energy: 0.8694818584703575
Energy: 1.0082142450551976
Energy: 0.8691720268953403
Energy: 0.9708441727754105
Energy: 0.8691720268965917
Energy: 0.9368361353448122
Energy: 0.8966592363129149
Energy: 0.9458129363152343
Energy: 0.8966592363129149
Energy: 0.9358997937891633
Energy: 0.8962125485827275
Energy: 1.0068713650357757
Energy: 0.8962125485814763
Energy: 0.9352856791568179
Energy: 0.8990810333548056
Energy: 1.0075513160963594
Energy: 0.8990810333523029
Energy: 0.9695886539899681
Energy: 0.9256029619841812
Energy: 0.9336306237902445
Energy: 0.9256029619841812
Energy: 0.9344833846470824
Energy: 0.9239653611294092
Energy: 0.9319315989610656
Energy: 0.9239653611294092
Energy: 0.9359024084822004
Energy: 0.9578257498258002
Energy: 0.9318601452978004
Energy: 0.9578257498245489
Energy: 0.9350090637870548
Energy: 0.9240910018798506
Energy: 0.932534173918495
Energy: 0.9240910018798506
Energy: 0.9317471516258063
Energy: 0.9249627914053608
Energy: 0.9356340968870087
Energy: 0.9249627914041094
Energy: 0.9315824301813731
Energy: 0.9309166662161652
Energy: 0.9318182611156819
Energy: 0.9309166662161652
Energy: 0.9417471611542394
Energy: 0.9242275588755445
Energy: 0.9355547994414806
Energy: 0.9242275588742932

minimum gb energy = 0.8443350576110777 eV
minimum distance =  2.32283859003108 Angstroms
sigma value = 15


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

Energy: 1.0754083998688868
Energy: 1.0189889009445487
Energy: 1.019774389554275
Energy: 0.8748665896782453
Energy: 0.8739654865208285
Energy: 0.8441747594948957
Energy: 0.8771295913018826
Energy: 0.8441747594959558
Energy: 0.8739007626288756
Energy: 0.8685489464918158
Energy: 0.8827066772295611
Energy: 0.868548946492876
Energy: 0.875295270257658
Energy: 0.8675277829497444
Energy: 0.9942919359897971
Energy: 0.8675277829518646
Energy: 0.8778127616001951
Energy: 0.8486283503599096
Energy: 0.8772582218157183
Energy: 0.8486283503588496
Energy: 0.8907459087792965
Energy: 0.8433563370527388
Energy: 0.8844583728452111
Energy: 0.843356337054859
Energy: 0.9024796980183563
Energy: 0.8434145220317859
Energy: 0.878146024036551
Energy: 0.843414522032846
Energy: 0.8876589577026327
Energy: 0.9085436872388816
Energy: 0.8898429236647563
Energy: 0.9085436872378215
Energy: 0.8885669195374933
Energy: 0.816778103219127
Energy: 0.9040417953222866
Energy: 0.816778103219127
Energy: 0.8872684035259351
Energy: 0.8161330513422248
Energy: 0.9158316195427362
Energy: 0.8161330513422248
Energy: 0.8982845162374378
Energy: 0.7973505527592218
Energy: 0.9088672536964152
Energy: 0.7973505527581619
Energy: 0.8871414173973038
Energy: 0.7973958739790326
Energy: 0.896203528492363
Energy: 0.7973958739779725
Energy: 0.9241617045078506
Energy: 0.7979276118185139
Energy: 0.8962287836950175
Energy: 0.7979276118206341
Energy: 0.9259033467026588
Energy: 0.7856490791242948
Energy: 0.8888010913153572
Energy: 0.7856490791242948
Energy: 0.9131154016944912
Energy: 0.7869700374078584
Energy: 0.8842422037805314
Energy: 0.7869700374067984
Energy: 0.890184275510548
Energy: 0.7867665023168006
Energy: 0.9240691524635232
Energy: 0.7867665023178605
Energy: 0.8802404525524145
Energy: 0.7833416787951782
Energy: 0.9267638687333156
Energy: 0.7833416787919981
Energy: 0.8747319728128231
Energy: 0.7821715316895909
Energy: 0.8750568275708869
Energy: 0.7821715316895909
Energy: 0.9269260169954292
Energy: 0.7830320192087
Energy: 0.8818901834968994
Energy: 0.78303201920976
Energy: 0.9242873892676142
Energy: 0.7871797733617205
Energy: 0.8968837298191116
Energy: 0.7871797733617205
Energy: 0.882733098058477
Energy: 0.7871363672087135
Energy: 0.9144596695164462
Energy: 0.7871363672076535
Energy: 0.8909416466816621
Energy: 0.7857715948576043
Energy: 0.9252379512497863
Energy: 0.7857715948586642
Energy: 0.8952706797623741
Energy: 0.7983065972563513
Energy: 0.9243360225718382
Energy: 0.7983065972574114
Energy: 0.8970083552469506
Energy: 0.79715568332317
Energy: 0.8971025170425956
Energy: 0.79715568332211
Energy: 0.9088984873350743
Energy: 0.7974379146443471
Energy: 0.8879690220810332
Energy: 0.7974379146422271
Energy: 0.9086962491313807
Energy: 0.8156987221869672
Energy: 0.8870899220113592
Energy: 0.8156987221890872
Energy: 0.8950952543589912
Energy: 0.8165859387107807
Energy: 0.8878212460548564
Energy: 0.8165859387086605
Energy: 0.8866748442383261
Energy: 0.8172728576081307
Energy: 0.8890324286934389
Energy: 0.8172728576081307
Energy: 0.8778842185315693
Energy: 0.8424609394309477
Energy: 0.8760044335474415
Energy: 0.8424609394309477
Energy: 0.8837743513332266
Energy: 0.8432726997396671
Energy: 0.8883958656171353
Energy: 0.8432726997396671
Energy: 0.8773921777439808
Energy: 0.8833830976671543
Energy: 0.8881993216218128
Energy: 0.8833830976671543
Energy: 0.8861137189403994
Energy: 0.8675837173664127
Energy: 0.8747908984416634
Energy: 0.8675837173664127
Energy: 0.876801544354899
Energy: 0.8679763263609527
Energy: 0.8740709700070549
Energy: 0.8679763263609527
Energy: 0.877325569187683
Energy: 0.8443354070639629
Energy: 0.873933234393805
Energy: 0.844335407065023
Energy: 1.0186772148256715
Energy: 1.015640828346935
Energy: 0.8752871527522386
Energy: 1.015640828346935
Energy: 0.8736689136098399
Energy: 0.8696819896898464
Energy: 0.8758201196194898
Energy: 0.8696819896887864
Energy: 0.8808570646258653
Energy: 0.8689261481255908
Energy: 0.874073502515889
Energy: 0.8689261481255908

minimum gb energy = 0.7821715316895909 eV
minimum distance =  2.32548097651405 Angstroms
sigma value = 85


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

Energy: 0.8794905921831818
Energy: 0.8858779574769404
Energy: 0.8915865730930229
Energy: 0.7511654623332782
Energy: 0.7687678088573355
Energy: 0.7445250384587997
Energy: 0.7788780726107165
Energy: 0.7445250384587997
Energy: 0.7685982377738434
Energy: 0.763093792551663
Energy: 0.7704512990637954
Energy: 0.7630937925507435
Energy: 0.7695001101847297
Energy: 0.7605989744915999
Energy: 0.793752005494762
Energy: 0.7605989744915999
Energy: 0.8100556238660059
Energy: 0.7870528686283184
Energy: 0.7788778123993789
Energy: 0.7870528686292376
Energy: 0.8156092172204105
Energy: 0.7457368140618456
Energy: 0.7788038272176409
Energy: 0.7457368140618456
Energy: 0.7663502735872926
Energy: 0.7443314223547617
Energy: 0.7793673684777502
Energy: 0.7443314223547617
Energy: 0.8098013473128425
Energy: 0.8094290623504431
Energy: 0.8085414953062858
Energy: 0.8094290623504431
Energy: 0.7974569447479085
Energy: 0.7283396521309249
Energy: 0.7796863185973952
Energy: 0.7283396521309249
Energy: 0.795006463123038
Energy: 0.7284235846170389
Energy: 0.8072216054094538
Energy: 0.7284235846170389
Energy: 0.8022407171559331
Energy: 0.7193692903285799
Energy: 0.8320294452728009
Energy: 0.7193692903276606
Energy: 0.8061644321935192
Energy: 0.7180088567025706
Energy: 0.8112630542190078
Energy: 0.7180088567025706
Energy: 0.8370182546990077
Energy: 0.71864232799355
Energy: 0.8118255084149115
Energy: 0.7186423279944696
Energy: 0.8386803700093662
Energy: 0.7159272303258961
Energy: 0.8118286542679931
Energy: 0.7159272303258961
Energy: 0.8284438222085652
Energy: 0.7136696915909395
Energy: 0.8080746244964124
Energy: 0.7136696915900202
Energy: 0.814380577394992
Energy: 0.7147043125796656
Energy: 0.8444281616029866
Energy: 0.7147043125796656
Energy: 0.812226642637106
Energy: 0.7135205264649215
Energy: 0.8448961445746898
Energy: 0.7135205264649215
Energy: 0.812586558323837
Energy: 0.7129937578064935
Energy: 0.843644142134755
Energy: 0.7129937578064935
Energy: 0.8500949345822193
Energy: 0.7134975099110936
Energy: 0.8125496474357669
Energy: 0.7134975099110936
Energy: 0.8502586524932808
Energy: 0.712540761242558
Energy: 0.8121663884023376
Energy: 0.7125407612443967
Energy: 0.8126124421573918
Energy: 0.7126259242926265
Energy: 0.8121823556491602
Energy: 0.7126259242917071
Energy: 0.8122220821972299
Energy: 0.713567219663766
Energy: 0.8511150963402865
Energy: 0.713567219663766
Energy: 0.830014535388642
Energy: 0.7125846583206062
Energy: 0.8501040225001769
Energy: 0.7125846583206062
Energy: 0.8436219061864182
Energy: 0.7120948613964625
Energy: 0.8122006436780859
Energy: 0.7120948613964625
Energy: 0.8457552206690951
Energy: 0.7144406136973971
Energy: 0.8120459481942549
Energy: 0.7144406136964776
Energy: 0.8445246273236471
Energy: 0.7140495270470452
Energy: 0.8287731561166177
Energy: 0.7140495270470452
Energy: 0.8117167883666488
Energy: 0.7138228648494209
Energy: 0.8287742468549066
Energy: 0.7138228648494209
Energy: 0.8116140852180943
Energy: 0.7146174922701123
Energy: 0.8370937045470509
Energy: 0.7146174922701123
Energy: 0.8118311989977594
Energy: 0.7183826738060721
Energy: 0.7951832582914798
Energy: 0.7183826738060721
Energy: 0.8129490573280619
Energy: 0.7188792730140946
Energy: 0.7961207594903973
Energy: 0.718879273015014
Energy: 0.8319990315341405
Energy: 0.7627030836136527
Energy: 0.8020155878106785
Energy: 0.7627030836127334
Energy: 0.7906558258652852
Energy: 0.727576577192566
Energy: 0.7951278836288891
Energy: 0.727576577192566
Energy: 0.7791254185837715
Energy: 0.7286307077479856
Energy: 0.79497613319763
Energy: 0.728630707748905
Energy: 0.7791212363047079
Energy: 0.7565814995248347
Energy: 0.8097930719476318
Energy: 0.756581499525754
Energy: 0.7797057754871338
Energy: 0.7441758731178212
Energy: 0.7977241440951682
Energy: 0.7441758731178212
Energy: 0.7788193439840413
Energy: 0.7456190229413505
Energy: 0.8095614132355595
Energy: 0.7456190229413505
Energy: 0.7834790408830887
Energy: 0.7464824516182536
Energy: 0.8095408067964344
Energy: 0.7464824516191728
Energy: 0.7510211550046302
Energy: 0.7705866233019031
Energy: 0.7708472853646624
Energy: 0.7705866233019031
Energy: 0.779064135619446
Energy: 0.7614950043570757
Energy: 0.7686688268739665
Energy: 0.7614950043561565
Energy: 0.7788882315687276
Energy: 0.746918912868479
Energy: 0.7768859488114771
Energy: 0.7469189128693984
Energy: 0.7685224512401622
Energy: 0.7609682485054615
Energy: 0.768344850212519
Energy: 0.7609682485054615
Energy: 0.768531732497504
Energy: 0.7466378084706303
Energy: 0.7686881403370053
Energy: 0.746637808469711
Energy: 0.7668386952006319
Energy: 0.7625124817775003
Energy: 0.7686244335027782
Energy: 0.7625124817775003

minimum gb energy = 0.7120948613964625 eV
minimum distance =  2.3172869761208 Angstroms
sigma value = 113


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

Energy: 0.014918056136765669
Energy: 0.10911954748928858
Energy: 0.947317359168561
Energy: 0.015129893812412004
Energy: 0.09665811043265318
Energy: 0.10903803617789345
Energy: 0.09481044646143978
Energy: 0.10903803617789345
Energy: 0.09444465631457472
Energy: 0.10933135523286963
Energy: 0.015548668594590661
Energy: 0.10933135523286963
Energy: 0.0941947452255975
Energy: 0.10998835159830646
Energy: 0.01693459878588376
Energy: 0.10998835159830646
Energy: 0.09603596632102498
Energy: 0.1089838470068991
Energy: 0.09520313782672339
Energy: 0.1089838470068991
Energy: 0.015572389121703618
Energy: 0.10938776942403375
Energy: 0.0943801160699079
Energy: 0.10938776942403375

minimum gb energy = 0.014918056136765669 eV
minimum distance =  2.45281333848545 Angstroms
sigma value = 1