Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_003
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=2.882650256156921
cohesive_energy=3.880282732726341
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011799238323806967
Energy: 0.012433716485826989
Energy: 2.9202012531792443
Energy: 0.012433716485826989
Energy: 0.012433716485826989
Energy: 0.011916861996111026
Energy: 0.20283706582133434
Energy: 0.011916861996111026
Energy: 2.9202012531792443
Energy: 0.20283706582133434
Energy: 0.2026713366794867
Energy: 0.20283706582133434
Energy: 0.012433716485826989
Energy: 0.011916861996111026
Energy: 0.20283706582133434
Energy: 0.011916861996111026

minimum gb energy = 0.011799238323806967 eV
minimum distance =  2.49496817647944 Angstroms
sigma value = 1


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

Energy: 1.2483859671954072
Energy: 0.7950081918350294
Energy: 0.8128690473124404
Energy: 0.7950081918338331
Energy: 1.3787238759127616
Energy: 0.80888346735123
Energy: 0.8236139668536598
Energy: 0.80888346735123
Energy: 1.5581186538387701
Energy: 0.8131547431425439
Energy: 0.8321080550294124
Energy: 0.8131547431413475
Energy: 1.1486773730314628
Energy: 0.8104809488023916
Energy: 0.8180175714376431
Energy: 0.8104809488011953
Energy: 1.1276487063855298
Energy: 0.8264430902817494
Energy: 1.1302793648481815
Energy: 0.8264430902817494
Energy: 1.4047184924139886
Energy: 0.7984843422324206
Energy: 0.8158840939390721
Energy: 0.7984843422360095
Energy: 0.9614525179551002
Energy: 0.8881987599457883
Energy: 0.7983810192857299
Energy: 0.8881987599505733
Energy: 0.7938992771607436
Energy: 0.7947148159361026
Energy: 1.1071879537669644
Energy: 0.794714815938495
Energy: 0.968065713377031
Energy: 0.7947948919722445
Energy: 1.154492533280374
Energy: 0.7947948919734408
Energy: 1.3811508972882414
Energy: 0.8179661944035037
Energy: 0.9639962581847588
Energy: 0.8179661943987185
Energy: 0.828316795130203
Energy: 0.8830181713630413
Energy: 1.1667087084322998
Energy: 0.883018171365434
Energy: 0.8091492759146247
Energy: 0.806892604969064
Energy: 1.6103895241466863
Energy: 0.8068926049666714
Energy: 0.9760382868518416
Energy: 0.882887856416299
Energy: 1.1353239723414974
Energy: 0.8828878564151027
Energy: 0.81606919753605
Energy: 0.8263758820561014
Energy: 1.1225005888590833
Energy: 0.8263758820561014
Energy: 0.8733781484211061
Energy: 0.7962304433436331
Energy: 1.4011069837132553
Energy: 0.7962304433436331
Energy: 0.8117145726188316
Energy: 0.7963869828861555
Energy: 1.399989729961371
Energy: 0.7963869828861555
Energy: 0.8125128694356175
Energy: 0.837058143994762
Energy: 1.1209623116822864
Energy: 0.8370581439959582
Energy: 0.9839069411922517
Energy: 0.8823905053234569
Energy: 1.139054206984759
Energy: 0.8823905053234569
Energy: 0.8260539377201671
Energy: 0.8070963076483262
Energy: 1.5744757292603029
Energy: 0.8070963076495222
Energy: 0.8851333384688018
Energy: 0.8841889842407803
Energy: 0.9671884747473277
Energy: 0.8841889842419766
Energy: 1.4162396620102506
Energy: 0.8353022258253551
Energy: 0.9645315294187181
Energy: 0.8353022258241587
Energy: 0.9804237379246669
Energy: 0.8117694219063744
Energy: 1.1417760744779673
Energy: 0.8117694219075704
Energy: 0.9628018216096883
Energy: 0.7808803461522448
Energy: 0.9795846983443992
Energy: 0.7808803464045243
Energy: 1.1401962971670148
Energy: 0.8859724514000271
Energy: 0.7966609570586132
Energy: 0.8859724514012234
Energy: 1.4052476563202216
Energy: 0.7976455245891976
Energy: 0.8351495725881016
Energy: 0.7976455245880012
Energy: 1.137830733848976
Energy: 0.8259172031204917
Energy: 1.1312217000095086
Energy: 0.825917203118099
Energy: 1.1506031289276877
Energy: 0.810621087299724
Energy: 0.8297935786196037
Energy: 0.8106210873033131
Energy: 1.725614757899838
Energy: 0.8132539458209425
Energy: 0.8306120120729017
Energy: 0.8132539458197461
Energy: 1.3732832530081271
Energy: 0.809356098399491
Energy: 0.8283018125640184
Energy: 0.809356098399491
Energy: 1.129153147315323
Energy: 0.8334155764840765
Energy: 0.8142497526293745
Energy: 0.8334155764840765
Energy: 1.3787618732599372
Energy: 0.7910959671792924
Energy: 0.8140840515928648
Energy: 0.7910959671792924
Energy: 1.401029653914314
Energy: 0.8057730773593215
Energy: 0.8074397415306077
Energy: 0.8057730773461624
Energy: 1.1448468002474472
Energy: 0.8106681351827913
Energy: 0.8251598888356045
Energy: 0.8106681351839875

minimum gb energy = 0.7808803461522448 eV
minimum distance =  2.35290315516349 Angstroms
sigma value = 1


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

Energy: 1.3750955954951516
Energy: 0.9378186315226564
Energy: 0.8807822801023125
Energy: 0.9378186315226564
Energy: 1.2503711319057136
Energy: 0.8951657936825738
Energy: 0.8507508263141449
Energy: 0.8951657936839377
Energy: 1.1957952368926386
Energy: 0.908537605548719
Energy: 0.908563842235449
Energy: 0.908537605548719
Energy: 0.836057035726196
Energy: 0.946493760251717
Energy: 0.8823645455644681
Energy: 0.9464937602530811
Energy: 0.8369267716239871
Energy: 0.8596698256964396
Energy: 1.202946390400513
Energy: 0.8596698256964396
Energy: 1.2407100204516648
Energy: 0.8573947648891712
Energy: 0.8616882196560239
Energy: 0.8573947648891712
Energy: 0.8614158194373212
Energy: 0.9470329306174319
Energy: 0.8603708626169373
Energy: 0.94703293061334
Energy: 0.8625857081329225
Energy: 0.8583677136216522
Energy: 1.2031072989432727
Energy: 0.8583677136202882
Energy: 0.9072664371197997
Energy: 0.8752122930166865
Energy: 1.2674745097518758
Energy: 0.8752122930166865
Energy: 0.8776585820467109
Energy: 0.8359301312556295
Energy: 0.8309545108538914
Energy: 0.8359301312556295
Energy: 0.8587694897427834
Energy: 0.8571785522696322
Energy: 1.276773847802389
Energy: 0.8571785522696322
Energy: 0.8622920789314682
Energy: 0.8591694760440787
Energy: 1.8921688934685776
Energy: 0.8591694760454426
Energy: 0.8833664722133586
Energy: 0.9455844202149949
Energy: 1.2459005114076196
Energy: 0.945584420213631
Energy: 0.8833664722079028
Energy: 0.9459327198662426
Energy: 1.2459534464235806
Energy: 0.9459327198662426
Energy: 0.8621767864424998
Energy: 0.8588720257126874
Energy: 1.8998301217140972
Energy: 0.8588720257140515
Energy: 0.8570885687474075
Energy: 0.856955545788263
Energy: 1.2618554787396823
Energy: 0.856955545788263
Energy: 0.8776585820548947
Energy: 0.8359012856511402
Energy: 0.830959462445823
Energy: 0.8359012856497762
Energy: 0.907493455386871
Energy: 0.8746877149358677
Energy: 1.2728147324588495
Energy: 0.8746877149385957
Energy: 0.8626017662904204
Energy: 0.8583415304374749
Energy: 1.2031073035787294
Energy: 0.8583415304415667
Energy: 0.8603351511076641
Energy: 0.9473354975993651
Energy: 0.8603899317896261
Energy: 0.9473354975993651
Energy: 1.234822646980521
Energy: 0.8574356673878756
Energy: 0.8612596226799883
Energy: 0.8574356673865117
Energy: 0.8369896657273256
Energy: 0.8603018576844331
Energy: 1.2029463983898205
Energy: 0.8603018576857971
Energy: 0.8361401290143554
Energy: 0.9373396700417445
Energy: 0.8823645455644681
Energy: 0.937339670013101
Energy: 1.2468140865575428
Energy: 0.9085488815206472
Energy: 0.9095646104978518
Energy: 0.9085488815206472
Energy: 1.260665389339703
Energy: 0.8950539758200037
Energy: 0.8507508301152231
Energy: 0.8950539758200037
Energy: 1.3750955955006074
Energy: 0.9378186315226564
Energy: 0.8807830962362647
Energy: 0.9378186315212925
Energy: 1.2503711318389097
Energy: 0.8951657936825738
Energy: 0.8507508294853475
Energy: 0.8951657936825738
Energy: 1.1957952394312372
Energy: 0.9085376055473551
Energy: 0.908563842234085
Energy: 0.908537605548719
Energy: 0.836057035723468
Energy: 0.9464937602530811
Energy: 0.8823645455562841
Energy: 0.9464937602530811

minimum gb energy = 0.8309545108538914 eV
minimum distance =  2.34951555131157 Angstroms
sigma value = 25


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

Energy: 1.1094493725426906
Energy: 1.1553647331624166
Energy: 0.9429065231016986
Energy: 1.1553647511412874
Energy: 1.3747335266189091
Energy: 0.8933003542207205
Energy: 1.037792968985069
Energy: 0.893300354219135
Energy: 1.3997616168240627
Energy: 0.9526900432345647
Energy: 0.9706460959696975
Energy: 0.9526900434833934
Energy: 1.0780011187240646
Energy: 0.9017116260782562
Energy: 1.0565168540313625
Energy: 0.9017116260782562
Energy: 1.1011357024748234
Energy: 0.9018638114280186
Energy: 1.0533836402748822
Energy: 0.9018638114280186
Energy: 1.4167538336433572
Energy: 0.8965189960205756
Energy: 0.9068502402792118
Energy: 0.8965189960221612
Energy: 1.0249773895771472
Energy: 0.9451564280485883
Energy: 0.9428344617268491
Energy: 0.9451564280485883
Energy: 0.9386755478822841
Energy: 0.8972598409795045
Energy: 1.3895863013734484
Energy: 0.8972598385403711
Energy: 0.9617387093820913
Energy: 0.995600835968933
Energy: 1.090861526043705
Energy: 0.9956008359705185
Energy: 0.9226986254811145
Energy: 0.8880851745310189
Energy: 1.1210776124065311
Energy: 0.8880851745310189
Energy: 1.0390219601271318
Energy: 0.9803057513329727
Energy: 1.368263973069878
Energy: 0.980305751331387
Energy: 1.0205669000674256
Energy: 0.9289264841855687
Energy: 1.3854802066224428
Energy: 0.9289264841839829
Energy: 0.8988251389145998
Energy: 0.8691552947485144
Energy: 1.1022399434083183
Energy: 0.8691552947453434
Energy: 0.9227827636947551
Energy: 0.9945291077092097
Energy: 1.1222488261886123
Energy: 0.9945291077107953
Energy: 0.9176058857444408
Energy: 0.9222806484832455
Energy: 1.4054144327517442
Energy: 0.9222806484737321
Energy: 1.024189890403754
Energy: 0.9265293026204169
Energy: 0.9433615972957584
Energy: 0.9265293028755879
Energy: 1.6880182753864355
Energy: 0.9029234048816744
Energy: 0.8987715413513616
Energy: 0.9029234048832602
Energy: 1.1173827387886035
Energy: 0.8794260260312282
Energy: 1.0355846073806656
Energy: 0.8794260260185435
Energy: 1.0177103853497578
Energy: 0.9020698658127663
Energy: 1.0319174423549213
Energy: 0.9020698658080095
Energy: 1.0682106713038553
Energy: 0.9048670981205015
Energy: 0.9660034277962222
Energy: 0.9048670981189159
Energy: 1.3270207107019776
Energy: 0.8781510877814366
Energy: 1.0116774048668755
Energy: 0.8781510891270212
Energy: 1.0776101409380956
Energy: 0.9432340161433852
Energy: 0.9293886507632216
Energy: 0.9432340161417997
Energy: 1.3488725176514886
Energy: 0.982266027526972
Energy: 0.9603891790172642
Energy: 0.982266027526972
Energy: 1.3864647344414511
Energy: 0.9616587938762285
Energy: 0.9766899939148824
Energy: 0.961658793877814
Energy: 1.1152672966593342
Energy: 0.9024357327929271
Energy: 1.0142751785429411
Energy: 0.9024357327929271

minimum gb energy = 0.8691552947453434 eV
minimum distance =  2.36084637206923 Angstroms
sigma value = 9


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

Energy: 0.9079002409009317
Energy: 0.9118713789995334
Energy: 1.1152857410077865
Energy: 0.9118713790067124
Energy: 0.9168177072677152
Energy: 1.0157014413197865
Energy: 0.9018048570254705
Energy: 1.0157014413201735
Energy: 1.0853589267492858
Energy: 1.0299934231969503
Energy: 1.1018100053531914
Energy: 1.0299934219514055
Energy: 0.97621778575788
Energy: 0.9289491894330385
Energy: 0.982687247243129
Energy: 0.8988552857926557
Energy: 1.0650871215041415
Energy: 0.9962930455778748
Energy: 1.0621682841329045
Energy: 0.9962930451551274
Energy: 1.3126730595697724
Energy: 1.002293371136951
Energy: 0.9345837987902191
Energy: 1.0022933711373379
Energy: 0.9832504771703982
Energy: 1.081574519613565
Energy: 1.0262226305422733
Energy: 1.0815745196131783
Energy: 1.0751617404590637
Energy: 1.0411329389049742
Energy: 1.4582891408280805
Energy: 1.0411329573622212
Energy: 1.0523547975641447
Energy: 0.9923596019717413
Energy: 0.9440154439955751
Energy: 0.9923596019713544
Energy: 1.0801123224965352
Energy: 0.9127187231201669
Energy: 0.8707155223094467
Energy: 0.912718723121306
Energy: 0.9809896516427928
Energy: 1.1082180098204406
Energy: 1.446919969788206
Energy: 1.1082180098204406
Energy: 1.0533674191526705
Energy: 0.8984277082021837
Energy: 1.0969398802432169
Energy: 0.898427714707892
Energy: 1.0708166924206814
Energy: 0.9502072486747525
Energy: 0.9740219112222939
Energy: 0.9489622809253501
Energy: 1.0936577240604133
Energy: 0.9402005978170724
Energy: 1.090686465324809
Energy: 0.9457924638000492
Energy: 1.007347431874156
Energy: 1.0089991301708645
Energy: 1.0561235921107095
Energy: 1.0089991301746475
Energy: 1.0918959348468014
Energy: 0.917580742769419
Energy: 1.0671836107534676
Energy: 0.9175807427696124
Energy: 1.43919270765725
Energy: 1.0939164735031741
Energy: 0.9981709771741928
Energy: 1.0939164730087865
Energy: 0.9026167525819896
Energy: 0.9014059704580181
Energy: 1.0801131078608324
Energy: 0.9014059701141112
Energy: 0.9466931123800165
Energy: 0.9884597580473945
Energy: 1.0557759972323513
Energy: 0.9884593391865578
Energy: 1.458597333067183
Energy: 1.0354600442542112
Energy: 1.074072124736913
Energy: 1.0354585762388526
Energy: 1.0617666231373857
Energy: 1.048383783174575
Energy: 0.9978664167797334
Energy: 1.0483837981430155

minimum gb energy = 0.8707155223094467 eV
minimum distance =  2.34801522440329 Angstroms
sigma value = 25


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

Energy: 1.0793495154182529
Energy: 1.2959946242984528
Energy: 1.3063829478990998
Energy: 1.2959946242991705
Energy: 1.4090203566324202
Energy: 1.2224746597907012
Energy: 1.2554338149989142
Energy: 1.2224746597899834
Energy: 1.1821480193751266
Energy: 1.2222408482049405
Energy: 1.2632011622742558
Energy: 1.222240848201671
Energy: 1.1518617184260296
Energy: 1.2166715724669388
Energy: 1.2561690105032772
Energy: 1.2166715724636694
Energy: 1.2044924636967622
Energy: 1.199720816525702
Energy: 1.493645894905889
Energy: 1.1997208165079456
Energy: 1.6017995870379698
Energy: 1.1431456903514503
Energy: 1.1466737242277831
Energy: 1.1431456903481807
Energy: 1.3146976882815076
Energy: 1.2271250628659323
Energy: 1.1438597716355274
Energy: 1.2271250628668628
Energy: 1.1732309795321283
Energy: 1.2961551535378986
Energy: 1.4731981761258504
Energy: 1.296155153540477
Energy: 1.3237947751231405
Energy: 1.1469604536983629
Energy: 1.1468865011193405
Energy: 1.1469604536981235
Energy: 1.1860111805936833
Energy: 1.1446403616889818
Energy: 1.1458850311628859
Energy: 1.1446403616885297
Energy: 1.2069875580574654
Energy: 1.2257787821314678
Energy: 1.417733019316286
Energy: 1.2257787821305373
Energy: 1.2271457062427493
Energy: 1.1464363890648308
Energy: 1.2042956496847246
Energy: 1.1464363890639004
Energy: 1.2636646902770372
Energy: 1.2282031760165721
Energy: 1.2311254201769077
Energy: 1.2282031760161203
Energy: 1.325269855408868
Energy: 1.1091944638487163
Energy: 1.2669326937588634
Energy: 1.1091944635774764
Energy: 1.2333924548368183
Energy: 1.1480622474539715
Energy: 1.3241181901080892
Energy: 1.1480622474544233
Energy: 1.3986487993395122
Energy: 1.1772762757824191
Energy: 1.1953108686863059
Energy: 1.1772762757822064
Energy: 1.2074727890789354
Energy: 1.1464111072943048
Energy: 1.2284720579751391
Energy: 1.1464111072933745

minimum gb energy = 1.0793495154182529 eV
minimum distance =  2.34511009420847 Angstroms
sigma value = 17


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

Energy: 1.3639163041699511
Energy: 1.2364637872350652
Energy: 1.3862934768179886
Energy: 1.2364637872337403
Energy: 1.3038448728886702
Energy: 1.3434845847265366
Energy: 1.2858786644192144
Energy: 1.3434845847252117
Energy: 1.2462749674836966
Energy: 1.348139143379469
Energy: 1.265233414654469
Energy: 1.348139143379469
Energy: 1.3147587775166314
Energy: 1.3050974054728088
Energy: 1.2739163715749977
Energy: 1.305097405471484
Energy: 1.2371900667317843
Energy: 1.343819410853588
Energy: 1.3937575696283802
Energy: 1.343819410853588
Energy: 1.55469051496402
Energy: 1.2695521420514806
Energy: 1.2450519645908318
Energy: 1.2695521420514806
Energy: 1.3144018919877918
Energy: 1.305317431385672
Energy: 1.3842948013708558
Energy: 1.3053174313869969
Energy: 1.3029394912322918
Energy: 1.3071752161640529
Energy: 1.4748130175198595
Energy: 1.3071752161640529
Energy: 1.2918693584944039
Energy: 1.3267873217233916
Energy: 1.2737210915405839
Energy: 1.3267873217247164
Energy: 1.4383308907185195
Energy: 1.3553955827069246
Energy: 1.2771358878799088
Energy: 1.3553955827069246
Energy: 1.2945659011289332
Energy: 1.2922857912278882
Energy: 1.3972184218791583
Energy: 1.2922857912292132
Energy: 1.2535616073201736
Energy: 1.3268806314125083
Energy: 1.2651417566256844
Energy: 1.3268806314151582
Energy: 1.4252414330009244
Energy: 1.393346357748975
Energy: 1.2613703366716
Energy: 1.3933463577502998
Energy: 1.2916512605242578
Energy: 1.2928584490174408
Energy: 1.3171695865917827
Energy: 1.2928584490187658
Energy: 1.3075795797914864
Energy: 1.3083829644491853
Energy: 1.4632082026881001
Energy: 1.3083829644491853
Energy: 1.42470016512835
Energy: 1.327445436089101
Energy: 1.2743762452568796
Energy: 1.327445436089101
Energy: 1.2875365261829999
Energy: 1.3969096890103823
Energy: 1.2659822383928454
Energy: 1.3969096890103823
Energy: 1.292498031057803
Energy: 1.395678338784369
Energy: 1.296880044027365
Energy: 1.395678338784369
Energy: 1.3011251709049414
Energy: 1.2686180101040112
Energy: 1.3282191465916513
Energy: 1.2686180101040112
Energy: 1.4910767390671733
Energy: 1.268504377345501
Energy: 1.393761311522679
Energy: 1.2685043773468256
Energy: 1.3086167675069718
Energy: 1.3627376347703726
Energy: 1.3755964420646871
Energy: 1.3627376347703726
Energy: 1.3087567417848973
Energy: 1.3251682189673213
Energy: 1.3563124465657892
Energy: 1.3251682189659966
Energy: 1.3736249544877654
Energy: 1.346782556255196
Energy: 1.349311148891642
Energy: 1.346782556255196
Energy: 1.3455887615130122
Energy: 1.270293351229466
Energy: 1.2855621227363154
Energy: 1.270293351230791
Energy: 1.3386100817806008
Energy: 1.2703049122890497
Energy: 1.2829939390966567
Energy: 1.2703049122916992
Energy: 1.3636952888471634
Energy: 1.3468838643597203
Energy: 1.2935698354957892
Energy: 1.3468838643583954
Energy: 1.306490338391016
Energy: 1.326309792811044
Energy: 1.3431080294669815
Energy: 1.326309792811044
Energy: 1.3179112944006581
Energy: 1.3075209045317473
Energy: 1.4033885835439512
Energy: 1.3075209045304226
Energy: 1.2356336268536476
Energy: 1.3572309274601846
Energy: 1.3940672077596115
Energy: 1.3572309274601846
Energy: 1.3210910108119858
Energy: 1.2707703620680089
Energy: 1.2507745925654008
Energy: 1.2707703620666841

minimum gb energy = 1.2356336268536476 eV
minimum distance =  2.34113537332868 Angstroms
sigma value = 53


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

Energy: 1.484517187689351
Energy: 1.4829704898017488
Energy: 1.4183580548051047
Energy: 1.4829704898017488
Energy: 1.180880791775963
Energy: 1.4363684533820356
Energy: 1.187214302032328
Energy: 1.4363684533847734
Energy: 1.1926347855870774
Energy: 1.2048490917207297
Energy: 1.2168116716394088
Energy: 1.2048490917439159
Energy: 1.2045426162815773
Energy: 1.2101338824602728
Energy: 1.2218340282070557
Energy: 1.2101338824605847
Energy: 1.2111115901680702
Energy: 1.4409030592904364
Energy: 1.220549194227265
Energy: 1.4409030592904364
Energy: 2.489489799282049
Energy: 1.4829704898014369
Energy: 1.4845171876905643
Energy: 1.4829704898011598
Energy: 1.1872142954986098
Energy: 1.436368453385709
Energy: 1.1815152647631677
Energy: 1.4363684533844965
Energy: 1.2168116716424588
Energy: 1.2048490917320283
Energy: 1.1787810711681501
Energy: 1.2048490917371923
Energy: 1.221834234405591
Energy: 1.2101338824627335
Energy: 1.2045426167507471
Energy: 1.2101338824624215
Energy: 1.2205491942086881
Energy: 1.4409030592904364
Energy: 1.211111590170531
Energy: 1.4409030592904364
Energy: 1.484517187689975
Energy: 1.4829704898017488
Energy: 1.4183580552017345
Energy: 1.4829704898014369
Energy: 1.1802877772517386
Energy: 1.436368453385709
Energy: 1.1872142981322613
Energy: 1.4363684533847734
Energy: 1.1816959281478656
Energy: 1.2048490917179915
Energy: 1.2168116716327197
Energy: 1.2048490917338652

minimum gb energy = 1.1787810711681501 eV
minimum distance =  2.40843685879787 Angstroms
sigma value = 9


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

Energy: 1.5225445507927284
Energy: 1.379840823517711
Energy: 1.3950981487407483
Energy: 1.3798408235165822
Energy: 1.4549577707682204
Energy: 1.332047205278779
Energy: 1.342781969136979
Energy: 1.3320472052753927
Energy: 1.357392011182556
Energy: 1.3716112554787412
Energy: 1.3868815934961527
Energy: 1.3716112554809987
Energy: 1.3508860760621508
Energy: 1.412234824324071
Energy: 1.3626006207135837
Energy: 1.4122348243252
Energy: 1.3385642541626142
Energy: 1.3498143357488166
Energy: 1.4711772114040174
Energy: 1.3498143357488166
Energy: 1.6028158860398096
Energy: 1.4984249011673514
Energy: 1.548637003389994
Energy: 1.4984249011662227
Energy: 1.3642239125527595
Energy: 1.3914377664088056
Energy: 1.4613617713940814
Energy: 1.3914377664121922
Energy: 1.358573373760542
Energy: 1.4153088240689389
Energy: 1.3462447879496882
Energy: 1.41530882406781
Energy: 1.3611233697321365
Energy: 1.3722308617342502
Energy: 1.3921500451668478
Energy: 1.3722308617342502
Energy: 1.37304177946249
Energy: 1.371931642018609
Energy: 1.391504060813787
Energy: 1.3719316420208667
Energy: 1.378369201448951
Energy: 1.518134411473317
Energy: 1.5691613770066164
Energy: 1.5181344114744457
Energy: 1.531593075213744
Energy: 1.4219153131394278
Energy: 1.3268531468484306
Energy: 1.4219153131371702
Energy: 1.380446746226024
Energy: 1.3908660357493157
Energy: 1.3996170644003936
Energy: 1.3908660357504448
Energy: 1.3506934815398652
Energy: 1.4122108560267481
Energy: 1.4259175200995489
Energy: 1.4122108560256192
Energy: 1.3523073916528765
Energy: 1.416249682781661
Energy: 1.3457696547661369
Energy: 1.4162496827839186
Energy: 1.5844034112139238
Energy: 1.3911980580142027
Energy: 1.3999119995812503
Energy: 1.3911980580142027
Energy: 1.4347665806101457
Energy: 1.3922590790259057
Energy: 1.5814772362563996
Energy: 1.3922590790270346
Energy: 1.3794093087895511
Energy: 1.392891928064792
Energy: 1.3931759805427397
Energy: 1.392891928064792
Energy: 1.5341123619963277
Energy: 1.4117847744966008
Energy: 1.3470333501463825
Energy: 1.4117847744954721
Energy: 1.4107855424043318
Energy: 1.3918083079329517
Energy: 1.3717463532610754
Energy: 1.3918083079318226
Energy: 1.3074795837946116
Energy: 1.4158764828036314
Energy: 1.5580148966975442
Energy: 1.4158764828036314
Energy: 1.4479416901317965
Energy: 1.350064264196151
Energy: 1.3975703438721507
Energy: 1.3500642641972798
Energy: 1.388920562977115
Energy: 1.379822547020236
Energy: 1.5385630907280643
Energy: 1.3798225470191072
Energy: 1.3593345406595208
Energy: 1.380164614585311
Energy: 1.5085812146985984
Energy: 1.3801646145886977
Energy: 1.3355917612195103
Energy: 1.4163471937165757
Energy: 1.3334801476931293
Energy: 1.4163471937165757
Energy: 1.4394345268152364
Energy: 1.4611893944112424
Energy: 1.3412339599532357
Energy: 1.4611893944101133
Energy: 1.5524552053016296
Energy: 1.3350257636370015
Energy: 1.4414712993987855
Energy: 1.3350257636392593
Energy: 1.5086876060027383
Energy: 1.3350949038552438
Energy: 1.4396202803221902
Energy: 1.3350949038575015
Energy: 1.5144808138902397
Energy: 1.4615674904742209
Energy: 1.2996653309508601
Energy: 1.4615674904855094
Energy: 1.3349809010933922
Energy: 1.4165074879962603
Energy: 1.3736346529040098
Energy: 1.4165074879973893
Energy: 1.3178415961455898
Energy: 1.3384692882393778
Energy: 1.5062390835966417
Energy: 1.3384692882348626
Energy: 1.3900975956811892
Energy: 1.350838459751474
Energy: 1.534428576162394
Energy: 1.3508384597503453
Energy: 1.631989802988472
Energy: 1.3504967558264487
Energy: 1.470166777695783
Energy: 1.3504967558241912
Energy: 1.3100670974532953
Energy: 1.4162701789933994
Energy: 1.5554130582201555
Energy: 1.4162701789900132
Energy: 1.3390991531524503
Energy: 1.3923057411937252
Energy: 1.3694700283821033
Energy: 1.3923057411959832

minimum gb energy = 1.2996653309508601 eV
minimum distance =  2.33229950733096 Angstroms
sigma value = 73


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

Energy: 1.5623334145901682
Energy: 1.4315104860268737
Energy: 1.5820397640388686
Energy: 1.4315104860265275
Energy: 1.4271800888403035
Energy: 1.3509744485301964
Energy: 1.3906860121703095
Energy: 1.350974448529484
Energy: 1.3086730162146996
Energy: 1.434932365354742
Energy: 1.292666830296726
Energy: 1.4349323653541926
Energy: 1.3746054747465033
Energy: 1.3215505789130229
Energy: 1.3994587628490025
Energy: 1.321550578913369
Energy: 1.4500313625841252
Energy: 1.321850970594239
Energy: 1.3744805637537545
Energy: 1.321850970594605
Energy: 1.7032944403045454
Energy: 1.3257793554273891
Energy: 1.285582549370994
Energy: 1.3257793554266564
Energy: 1.3191349175660112
Energy: 1.4017133887331628
Energy: 1.3788595854172967
Energy: 1.401713388732084
Energy: 1.3265930101864818
Energy: 1.3199684120063369
Energy: 1.39931611757502
Energy: 1.319968412005991
Energy: 1.3871649747338433
Energy: 1.4364781115559753
Energy: 1.352215112150132
Energy: 1.4364781115561585
Energy: 1.3065392826114393
Energy: 1.4359865512878809
Energy: 1.3618434829663961
Energy: 1.435986551288247
Energy: 1.3238343975375901
Energy: 1.3213596516352872
Energy: 1.7007014623611056
Energy: 1.321359651636183
Energy: 1.4832182877284164
Energy: 1.32239424739417
Energy: 1.4523556074990511
Energy: 1.3223942473932748
Energy: 1.4388921769916636
Energy: 1.3247440067488008
Energy: 1.2856969529282118
Energy: 1.3247440067482512
Energy: 1.3083681471384216
Energy: 1.3744484602421456
Energy: 1.4688965761660522
Energy: 1.3744484602423288
Energy: 1.371863753284063
Energy: 1.3220927157530062
Energy: 1.349495177709069
Energy: 1.32209271575264
Energy: 1.4482592546735582
Energy: 1.4378697491796697
Energy: 1.2543771444395146
Energy: 1.4378697491798533
Energy: 1.4325309409824778
Energy: 1.2865224340739896
Energy: 1.5059797406127358
Energy: 1.2865224340748849
Energy: 1.5382346826446145
Energy: 1.2859085741628002
Energy: 1.4692916266552396
Energy: 1.2859085741624543
Energy: 1.361403465938937
Energy: 1.4403291799054305
Energy: 1.3346495160561955
Energy: 1.4403291799054305
Energy: 1.3654102908109849
Energy: 1.3235457518764995
Energy: 1.288768290458889
Energy: 1.3235457518772322
Energy: 1.314799561665858
Energy: 1.3134694503697524
Energy: 1.3166689731552021
Energy: 1.3134694503692028
Energy: 1.4434716930552296
Energy: 1.3251754952733714
Energy: 1.2857161473601686
Energy: 1.3251754952735546

minimum gb energy = 1.2543771444395146 eV
minimum distance =  2.32985880597323 Angstroms
sigma value = 7


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

Energy: 1.6629114349253957
Energy: 1.260171054133131
Energy: 1.5127028864057872
Energy: 1.2601710541343976
Energy: 1.6097081619898586
Energy: 1.2889422991787287
Energy: 1.3912505808635358
Energy: 1.288942299179995
Energy: 1.3394214672308276
Energy: 1.4115996057388205
Energy: 1.4345574362539997
Energy: 1.4115996057388205
Energy: 1.3238341074033586
Energy: 1.2388803360657321
Energy: 1.4156129243101145
Energy: 1.2388803360669984
Energy: 1.402254427921229
Energy: 1.3196753046991843
Energy: 1.3168011630491177
Energy: 1.3196753047017173
Energy: 1.504058390968047
Energy: 1.306398573343006
Energy: 1.32012453442499
Energy: 1.306398573344272
Energy: 1.3440510089756024
Energy: 1.3457430675212778
Energy: 1.6588033066429515
Energy: 1.3457430675212778
Energy: 1.320431990994363
Energy: 1.306270831861759
Energy: 1.4294765206604643
Energy: 1.3062708318604928
Energy: 1.641840777850295
Energy: 1.3192699944671573
Energy: 1.3084243741084431
Energy: 1.319269994465891
Energy: 1.4202842902513022
Energy: 1.2376502623366965
Energy: 1.3243596131772704
Energy: 1.23765026233543
Energy: 1.3769083535986968
Energy: 1.4092551212092763
Energy: 1.5391595189834597
Energy: 1.4092551212092763
Energy: 1.5875244687739714
Energy: 1.2375181293898139
Energy: 1.6158871984605006
Energy: 1.2375181293923465
Energy: 1.5832945957899627
Energy: 1.2380560839924597
Energy: 1.629225716437249
Energy: 1.238056083993726
Energy: 1.4152400369098752
Energy: 1.4389475011491464
Energy: 1.5528645759205721
Energy: 1.438947501150413
Energy: 1.4163430256925138
Energy: 1.2381215249881536
Energy: 1.3209822707715673
Energy: 1.2381215249881536
Energy: 1.5393087976258801
Energy: 1.4861989587650764
Energy: 1.3183925062780293
Energy: 1.4861989587663424
Energy: 1.3175630099355502
Energy: 1.3080917877221432
Energy: 1.4327256082800963
Energy: 1.3080917877233806
Energy: 1.3137614881113655
Energy: 1.3194282528429908
Energy: 1.5774413033531987
Energy: 1.3194282528417243
Energy: 1.5064127210077083
Energy: 1.3082297525150521
Energy: 1.3175598056302396
Energy: 1.3082297525137858
Energy: 1.400762338981913
Energy: 1.3195632947007145
Energy: 1.3153036925974628
Energy: 1.3195632947019809
Energy: 1.3213332941180465
Energy: 1.3369046344899538
Energy: 1.4173207912079238
Energy: 1.33690463449122
Energy: 1.3187101496911013
Energy: 1.4116931735839726
Energy: 1.4246132261879534
Energy: 1.4116931735839726
Energy: 1.495525350962088
Energy: 1.356813615249057
Energy: 1.4327427893372402
Energy: 1.3568136152503236
Energy: 1.5801766645335729
Energy: 1.2267025600756154
Energy: 1.5163944248154577
Energy: 1.2267025600743489
Energy: 1.6086190626669803
Energy: 1.2210395199587558
Energy: 1.369776825938303
Energy: 1.2210395199600224
Energy: 1.410158081296271
Energy: 1.412041319786208
Energy: 1.4246011882741947
Energy: 1.412041319786208
Energy: 1.3376598364372658
Energy: 1.2383888698145855
Energy: 1.4166233218534894
Energy: 1.2383888698145855
Energy: 1.4005568618268252
Energy: 1.3201388954993725
Energy: 1.671923626934347
Energy: 1.3201388954993725
Energy: 1.3911624116019476
Energy: 1.3056733062571952
Energy: 1.3205442264375256
Energy: 1.3056733062571952
Energy: 1.6058224662141294
Energy: 1.3581891455791546
Energy: 1.6368781633529852
Energy: 1.358189145580421
Energy: 1.320497734054306
Energy: 1.3057308936642984
Energy: 1.416785323271588
Energy: 1.3057308936642984

minimum gb energy = 1.2210395199587558 eV
minimum distance =  2.3187977962516 Angstroms
sigma value = 29


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

Energy: 0.9128787255298504
Energy: 1.1772555526075068
Energy: 1.5052120845068313
Energy: 1.1772555526075068
Energy: 1.6381080798499892
Energy: 1.1143844823543607
Energy: 1.1603556170475051
Energy: 1.114384432488977
Energy: 1.4315320089757528
Energy: 1.1438322691535407
Energy: 1.1372509548918526
Energy: 1.1438322691535407
Energy: 1.445134291152302
Energy: 1.176163740912162
Energy: 1.13248173808154
Energy: 1.1761637409126031
Energy: 1.427858491624148
Energy: 1.1347653877820507
Energy: 1.130709063801527
Energy: 1.1347653877820507
Energy: 1.4313200273801225
Energy: 1.1432001132345222
Energy: 1.1330694016658067
Energy: 1.143200113234939
Energy: 1.7543998063430433
Energy: 1.1429698586134585
Energy: 1.7117215863301132
Energy: 1.1429698586138999
Energy: 0.9226660151132643
Energy: 1.1434745324809656
Energy: 1.7333094653161094
Energy: 1.1434745324814068
Energy: 1.6058914212596669
Energy: 1.1622697966205102
Energy: 1.164194121330508
Energy: 1.1622697966205102

minimum gb energy = 0.9128787255298504 eV
minimum distance =  2.36051645913855 Angstroms
sigma value = 5


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

Energy: 1.2864509259718235
Energy: 1.0539578349492336
Energy: 1.5096479618198018
Energy: 1.0539578349480374
Energy: 1.4874378315463608
Energy: 0.9953028940275113
Energy: 1.3051184916452674
Energy: 0.9953028940215298
Energy: 1.1097707125930836
Energy: 1.2473836849937154
Energy: 1.2419553863407438
Energy: 1.2473836849937154
Energy: 1.1104297442017437
Energy: 1.188534590834894
Energy: 1.2805253067416422
Energy: 1.188534590833698
Energy: 1.0233746859824686
Energy: 1.244123118106687
Energy: 1.1343751765457684
Energy: 1.244123118106687
Energy: 1.375316706122067
Energy: 1.2997301120158389
Energy: 1.136005106062539
Energy: 1.2997301120158389
Energy: 1.3668641570179274
Energy: 1.1895185803950785
Energy: 1.2645895830729483
Energy: 1.1895185803962747
Energy: 1.3670722664530353
Energy: 1.1893452727608207
Energy: 1.2623052882160344
Energy: 1.1893452727596243
Energy: 1.6184450357122597
Energy: 1.0962905584508422
Energy: 1.3167047452789657
Energy: 1.096290558449646
Energy: 1.4523077237754323
Energy: 1.096114119330265
Energy: 1.3193253969579755
Energy: 1.0961141193338542
Energy: 1.2885560380430747
Energy: 1.2336260856553913
Energy: 1.2391836564709493
Energy: 1.2336260856553913
Energy: 1.2888899311124922
Energy: 1.2474488611841563
Energy: 1.0972503163027765
Energy: 1.24744886118296
Energy: 1.468438253315938
Energy: 1.2486843704519668
Energy: 1.057892377205485
Energy: 1.2486843704519668
Energy: 1.100426602113182
Energy: 1.2438226885429633
Energy: 1.0574746905079442
Energy: 1.2438226885441597
Energy: 1.1541972431162915
Energy: 1.0601095076934286
Energy: 1.4902996591888127
Energy: 1.0601095076934286
Energy: 1.4426826995177875
Energy: 1.093783867427241
Energy: 1.3138461934798455
Energy: 1.0937838674296338
Energy: 1.303184993896765
Energy: 1.0935805933601197
Energy: 1.3557578949411835
Energy: 1.0935805933589233
Energy: 1.190731883296186
Energy: 1.1967738092535527
Energy: 1.2608532636083754
Energy: 1.1967738092523565
Energy: 1.372606031530359
Energy: 1.139485422454336
Energy: 1.0615789117896821
Energy: 1.1394854224555324
Energy: 1.1807408418716727
Energy: 1.2505523169991535
Energy: 1.156777523851476
Energy: 1.2505523170003496
Energy: 1.18372102838417
Energy: 1.1903264765693848
Energy: 1.323079294087633
Energy: 1.190326476570581
Energy: 1.2160162095695972
Energy: 1.2447905454735502
Energy: 1.2369661659798419
Energy: 1.2447905454747465
Energy: 1.1069980208160366
Energy: 1.244853801724489
Energy: 1.2319360277027476
Energy: 1.2448538017256854
Energy: 1.4193117841383929
Energy: 1.0439068222170402
Energy: 1.6597914574040633
Energy: 1.0439068222170402
Energy: 1.4248933501540328
Energy: 1.0451692580766592
Energy: 1.6629262954054729
Energy: 1.0451692580778555
Energy: 1.4047966219170889
Energy: 1.2449140390690365
Energy: 1.2353490826734967
Energy: 1.2449140390690365
Energy: 1.1667275299343558
Energy: 1.2447676848443758
Energy: 1.2329901938464
Energy: 1.2447676848431792
Energy: 1.181572967399212
Energy: 1.1879396121785275
Energy: 1.2479791725395992
Energy: 1.1879396121773313
Energy: 1.1839055115866712
Energy: 1.2464108044372706
Energy: 1.1588103061765525
Energy: 1.2464108044360744
Energy: 1.394288976430229
Energy: 1.3171122262414003
Energy: 1.2059024973878936
Energy: 1.317112226240204
Energy: 1.2804337745030299
Energy: 1.1937563224951575
Energy: 1.2624034786099498
Energy: 1.1937563224951575
Energy: 1.233949701193884
Energy: 1.0517736417158252
Energy: 1.581574375390582
Energy: 1.0517736417146288
Energy: 1.6200687581398097
Energy: 1.0946833770658075
Energy: 1.326213725325879
Energy: 1.0946833770658075

minimum gb energy = 0.9953028940215298 eV
minimum distance =  2.32220934122736 Angstroms
sigma value = 1


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

Energy: 1.2222693407291156
Energy: 1.0024691012856835
Energy: 1.3151856602383012
Energy: 1.0024691012856835
Energy: 1.052640359558628
Energy: 0.9943944904399792
Energy: 1.219421195384723
Energy: 0.9943944904399792
Energy: 1.1375481604463686
Energy: 1.2051549840855305
Energy: 1.4273663826001481
Energy: 1.2051549840855305
Energy: 1.2350575651295828
Energy: 1.2045740142488521
Energy: 1.251954617104097
Energy: 1.2045740142488521
Energy: 1.0441106807654166
Energy: 1.0823649451974566
Energy: 1.0401011127873707
Energy: 1.0823649451991106
Energy: 1.0372864798199222
Energy: 1.0439772934119367
Energy: 1.0380762946550677
Energy: 1.0439772934119367
Energy: 1.3893241972997037
Energy: 1.2053475917304466
Energy: 1.3224241450815541
Energy: 1.2053475917321008
Energy: 1.3888566816920889
Energy: 1.2048065621138528
Energy: 1.3572733862317559
Energy: 1.2048065621121988
Energy: 1.3410112081422207
Energy: 1.0823738183967229
Energy: 1.1640207476183406
Energy: 1.0823738183967229
Energy: 1.3410112081438748
Energy: 1.0803958013686694
Energy: 1.163275253425437
Energy: 1.0803958013703234
Energy: 1.3858455214488767
Energy: 1.2040692671443283
Energy: 1.3572733862317559
Energy: 1.2040692671443283
Energy: 1.3896017817656512
Energy: 1.2012990650131594
Energy: 1.3224241450815541
Energy: 1.2012990650131594
Energy: 1.038703721428575
Energy: 1.0438441259522324
Energy: 1.039501918467107
Energy: 1.0438441259505784
Energy: 1.040527771238155
Energy: 1.0919302927714474
Energy: 1.0386846595116446
Energy: 1.0919302927714474
Energy: 1.0856771385877388
Energy: 1.2028771939399243
Energy: 1.39007553496922
Energy: 1.2028771939399243
Energy: 1.1375481604496767
Energy: 1.20594049782174
Energy: 1.405711382101703
Energy: 1.20594049782174
Energy: 1.017587638049223
Energy: 0.9550229718759855
Energy: 1.2516880134318737
Energy: 0.9550229718743315
Energy: 1.2222693407241534
Energy: 1.0024691012856835
Energy: 1.3152050109942157
Energy: 1.0024691012873375
Energy: 1.052640359561936
Energy: 0.9943944904399792
Energy: 1.219421195384723
Energy: 0.9943944904399792
Energy: 1.1375481604480226
Energy: 1.2051549840855305
Energy: 1.4273663826001481
Energy: 1.2051549840838764
Energy: 1.2350575651279285
Energy: 1.2045740142488521
Energy: 1.251954617104097
Energy: 1.2045740142488521
Energy: 1.0441106807654166
Energy: 1.082364945204073
Energy: 1.0401011127857167
Energy: 1.0823649451991106
Energy: 1.0372864798199222
Energy: 1.0439772934119367
Energy: 1.0380762946550677
Energy: 1.0439772934119367
Energy: 1.3893241972997037
Energy: 1.2053475917321008
Energy: 1.3224241450832082
Energy: 1.2053475917321008

minimum gb energy = 0.9550229718743315 eV
minimum distance =  2.30543871226731 Angstroms
sigma value = 17


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

Energy: 1.321484052924575
Energy: 1.044929147076143
Energy: 1.49641566043135
Energy: 1.044929147073076
Energy: 1.1700671607644009
Energy: 1.0550956208280982
Energy: 1.25243545632863
Energy: 1.055095620830143
Energy: 1.0301776925498332
Energy: 1.1785811238007209
Energy: 1.1950974484687393
Energy: 1.1785811238017432
Energy: 1.0903710948729344
Energy: 1.100513631428476
Energy: 1.4357931240988995
Energy: 1.1005136314325652
Energy: 1.1858909841834915
Energy: 1.176849279825422
Energy: 1.227742216296959
Energy: 1.176849279827467
Energy: 1.2893122619063664
Energy: 1.2082533135352689
Energy: 1.2197214109896979
Energy: 1.2082533135342466
Energy: 1.2191498661111009
Energy: 1.2278377886336918
Energy: 1.02989852279109
Energy: 1.2278377886367589
Energy: 1.2172724802351411
Energy: 1.225268983087315
Energy: 1.1260182953994868
Energy: 1.225268983087315
Energy: 1.4013979970202994
Energy: 1.07500349033657
Energy: 1.3447333528496956
Energy: 1.07500349033657
Energy: 1.4162498611412884
Energy: 1.075029036044839
Energy: 1.3425816799403392
Energy: 1.0750290360458614
Energy: 1.259710921404142
Energy: 1.1161318089158159
Energy: 1.1264775080943914
Energy: 1.1161318089158159
Energy: 1.2587248305928285
Energy: 1.116282414554283
Energy: 1.1715380779017017
Energy: 1.1162824145563275
Energy: 1.2340913376789333
Energy: 1.227642661995314
Energy: 1.2675880241691033
Energy: 1.2276426619932694
Energy: 1.1230314274202295
Energy: 1.1768838250057398
Energy: 1.2690655787974428
Energy: 1.1768838250047176
Energy: 1.1201087724018153
Energy: 1.2789010045492215
Energy: 1.2707479235157344
Energy: 1.2789010045492215
Energy: 1.0897990660123211
Energy: 1.228041815629346
Energy: 1.13522504720841
Energy: 1.2280418156273014
Energy: 1.380407826282167
Energy: 1.0588604640286219
Energy: 1.0094130308121843
Energy: 1.0588604640275996
Energy: 1.2693741845728883
Energy: 1.141728194432323
Energy: 1.230122316722816
Energy: 1.1417281944333453
Energy: 1.2110203340732122
Energy: 0.98202574851244
Energy: 1.1689685331986015
Energy: 0.9820257485114177
Energy: 1.4224557771592947
Energy: 1.0823035774954735
Energy: 1.2341567660661241
Energy: 1.0823035774944512
Energy: 1.138103893142371
Energy: 1.1579236196224543
Energy: 1.3917929814778816
Energy: 1.1579236196193876
Energy: 1.2219105877593088
Energy: 1.1768420112737805
Energy: 0.9929327660472131
Energy: 1.1768420112686686
Energy: 1.343983127421094
Energy: 1.1945508755230845
Energy: 1.2601449430391911
Energy: 1.1945508755241068
Energy: 1.1783840508583194
Energy: 1.2281043733994614
Energy: 1.0723834907155922
Energy: 1.2281043734004837
Energy: 1.1754768043390504
Energy: 1.2776566096333273
Energy: 1.326637525560723
Energy: 1.2776566096302602
Energy: 1.0714847320984946
Energy: 1.1766702927075974
Energy: 1.1863441900548237
Energy: 1.1766702927086197
Energy: 1.2464398536743493
Energy: 1.1746104028628468
Energy: 1.29100914993438
Energy: 1.1746104028669362
Energy: 1.3070388442521577
Energy: 0.9772899449670106
Energy: 1.6052462651463535
Energy: 0.9772899449670106
Energy: 1.302164005950551
Energy: 0.9782911701902663
Energy: 1.3250783336106966
Energy: 0.9782911701892438
Energy: 1.026771993239621
Energy: 1.1759569597684003
Energy: 1.1855583437541657
Energy: 1.1759569597694228
Energy: 1.0706346660314634
Energy: 1.176321711010266
Energy: 1.2922189409218057
Energy: 1.1763217110082214
Energy: 1.175236890154105
Energy: 1.2800384994812195
Energy: 1.1930618543306117
Energy: 1.2800384994812195
Energy: 1.1770050075680494
Energy: 1.2277468394882485
Energy: 1.0714529677256301
Energy: 1.227746839484159
Energy: 1.343709016304351
Energy: 1.2270971989058088
Energy: 0.9931677074411873
Energy: 1.227097198906831
Energy: 1.2232980674819376
Energy: 1.176637786387859
Energy: 1.1299083686620464
Energy: 1.176637786387859
Energy: 1.1823579952711007
Energy: 1.0156607220181275
Energy: 1.3396175508066384
Energy: 1.0156607220191503
Energy: 1.5890630353507489
Energy: 1.078541181021793
Energy: 1.2306917022054407
Energy: 1.0785411810207706
Energy: 1.203711605533542
Energy: 0.9807330648982473
Energy: 1.2149651627782874
Energy: 0.9807330648982473

minimum gb energy = 0.9772899449670106 eV
minimum distance =  2.33451780096176 Angstroms
sigma value = 89


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

Energy: 1.1985240939448196
Energy: 1.009106486997794
Energy: 1.3431335805784874
Energy: 1.0091064869969733
Energy: 0.9829291533231497
Energy: 1.08583053266703
Energy: 1.1486093090535783
Energy: 1.0858305326656923
Energy: 1.1363713402526794
Energy: 0.9983100474584148
Energy: 1.0250755908282545
Energy: 0.9983100474597524
Energy: 1.16972198950858
Energy: 1.164853810192834
Energy: 1.338047008051362
Energy: 1.1648538101931076
Energy: 1.152831272569917
Energy: 1.1531092313675135
Energy: 0.9789921616376506
Energy: 1.153109231369094
Energy: 1.15451543888445
Energy: 1.362391623643524
Energy: 0.9814225680513526
Energy: 1.362391623643524
Energy: 1.156387902939732
Energy: 1.005369848460539
Energy: 0.9828381919389626
Energy: 1.0053698484626665
Energy: 1.1612648180434753
Energy: 1.168780854144272
Energy: 1.3673684260189989
Energy: 1.1687808541437248
Energy: 1.1368358625340602
Energy: 1.17339842404152
Energy: 1.0257798771600575
Energy: 1.1733984240420672
Energy: 1.1576041597391635
Energy: 1.1732546312842407
Energy: 1.01840080429841
Energy: 1.1732546312834506
Energy: 1.1624985382981248
Energy: 0.9725422454803823
Energy: 1.3683974361572817
Energy: 0.9725422452306678
Energy: 1.1318657666306202
Energy: 0.9933527647867006
Energy: 1.3663544528312748
Energy: 0.9933527646907055
Energy: 1.1351098628514356
Energy: 1.1736498573752592
Energy: 1.0116381951605997
Energy: 1.1736498573749856
Energy: 1.1377518266382283
Energy: 1.1739326464059767
Energy: 1.0132694276720764
Energy: 1.1739326464059767
Energy: 1.1611225704846933
Energy: 1.1508658506732756
Energy: 1.3684526599379458
Energy: 1.1508658506737925

minimum gb energy = 0.9725422452306678 eV
minimum distance =  2.32091975670079 Angstroms
sigma value = 13


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

Energy: 1.0375977088090567
Energy: 0.9859619189752311
Energy: 1.2595619385986316
Energy: 0.9859619189752311
Energy: 0.9607551339739955
Energy: 0.9824741596100941
Energy: 1.0379113406159792
Energy: 0.9824741596112153
Energy: 1.0045326642242312
Energy: 1.0334054853789956
Energy: 1.1137193630436508
Energy: 1.0334054853801167
Energy: 1.14627610997722
Energy: 1.0680983987821784
Energy: 1.094864481849264
Energy: 1.0680983987821784
Energy: 0.9925572659262967
Energy: 1.1366342856781098
Energy: 0.937263192610017
Energy: 1.1366342856781098
Energy: 1.2087049184499568
Energy: 1.1292486780206947
Energy: 1.1386128162664582
Energy: 1.1292486780206947
Energy: 1.0898512966404168
Energy: 1.0332120767124489
Energy: 1.1130751084343162
Energy: 1.0332120767124489
Energy: 1.0876886183628711
Energy: 1.1025795107403862
Energy: 1.0600833784957953
Energy: 1.1025795107403862
Energy: 0.9387208690022172
Energy: 1.136876747921549
Energy: 0.9872194976657461
Energy: 1.136876747921549
Energy: 1.0523511007618869
Energy: 1.1304013611460493
Energy: 1.2071519116706466
Energy: 1.1304013611460493
Energy: 1.1025936488506203
Energy: 1.033117586061859
Energy: 1.00418023363726
Energy: 1.033117586061859
Energy: 1.096395568615873
Energy: 1.0252487323563704
Energy: 1.0610829314203716
Energy: 1.0252487323586128
Energy: 1.1669293006665962
Energy: 1.0075766213212947
Energy: 1.0238565474397296
Energy: 1.0075766213212947
Energy: 1.0665207251908353
Energy: 0.9822302289040753
Energy: 0.8583485116416613
Energy: 0.9822302289040753
Energy: 1.102518442884951
Energy: 1.0318694709564376
Energy: 1.0016814162406251
Energy: 1.0318694709553162
Energy: 1.0971642188569657
Energy: 1.029905707947927
Energy: 1.0049240349690414
Energy: 1.029905707947927
Energy: 1.1659597889771975
Energy: 1.1352950700221867
Energy: 0.9852729208646726
Energy: 1.1352950700221867
Energy: 0.9345156476728592
Energy: 1.132477773865704
Energy: 1.2059164475238175
Energy: 1.132477773866825
Energy: 1.0865793222987201
Energy: 1.0292212979049393
Energy: 1.088259409898374
Energy: 1.0292212979060604
Energy: 1.088264224973112
Energy: 1.029375835149476
Energy: 1.086650535974884
Energy: 1.029375835149476
Energy: 1.2063172875477743
Energy: 1.13240983491006
Energy: 0.9349724173872631
Energy: 1.1324098349089387
Energy: 0.9851244335091944
Energy: 1.1354660187045293
Energy: 1.1659597889828035
Energy: 1.1354660187056507
Energy: 1.004924034966799
Energy: 1.029746827196194
Energy: 1.0968303452189894
Energy: 1.029746827196194
Energy: 1.0016814162406251
Energy: 1.0318560355140767
Energy: 1.1027632286404823
Energy: 1.0318560355140767
Energy: 0.8354606473429269
Energy: 0.9820436736830639
Energy: 1.066610067333013
Energy: 0.982043673684185
Energy: 1.0236296679608474
Energy: 1.007706360059058
Energy: 1.1669293006621113
Energy: 1.007706360059058
Energy: 1.0608586256039425
Energy: 1.0294171222461068
Energy: 1.0962799559046486
Energy: 1.0294171222461068
Energy: 1.0041802336327754
Energy: 1.033081906033331
Energy: 1.1026384929569424
Energy: 1.0330819060322098
Energy: 1.204684199870323
Energy: 1.1303333109606715
Energy: 1.052685029893668
Energy: 1.1303333109595504
Energy: 0.9872094521576413
Energy: 1.1368475152692399
Energy: 0.9383767890083325
Energy: 1.13684751527031
Energy: 1.0596104467497403
Energy: 1.1026364263634556
Energy: 1.0878865909553341
Energy: 1.1026364263623343
Energy: 1.1130574169134726
Energy: 1.033158337020854
Energy: 1.0899236275570359
Energy: 1.0331583370197328
Energy: 1.138687941938843
Energy: 1.1292583286875675
Energy: 1.2086797214865608
Energy: 1.1292583286875675
Energy: 0.9346739418293794
Energy: 1.1366242758323193
Energy: 0.9925891134428575
Energy: 1.1366242758334404
Energy: 1.094534790447079
Energy: 1.0681626457467601
Energy: 1.1462581721948193
Energy: 1.0681626457478812

minimum gb energy = 0.8354606473429269 eV
minimum distance =  2.33681337646618 Angstroms
sigma value = 37


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

Energy: 0.8129692821064881
Energy: 0.7405802774797405
Energy: 1.1579354182080432
Energy: 0.7405802774791704
Energy: 0.7996060865847878
Energy: 0.8556744263247795
Energy: 0.9237290941962003
Energy: 0.8556744263203517
Energy: 1.0550546401041265
Energy: 0.922302679836616
Energy: 0.8891506416010156
Energy: 0.9223026798364407
Energy: 1.062884507287008
Energy: 0.968460872137715
Energy: 1.0212837728925948
Energy: 0.9684608721379123
Energy: 0.9427298037355736
Energy: 0.9208948244570127
Energy: 1.1731545626448723
Energy: 0.9208948244574071
Energy: 1.1461446421718904
Energy: 1.0564593187539113
Energy: 1.1010090689672194
Energy: 1.0564593187537141
Energy: 0.9830038260932034
Energy: 0.9265336085393326
Energy: 0.9688674595431236
Energy: 0.9265336085397055
Energy: 0.981349881434085
Energy: 1.1905186485840802
Energy: 1.0925846409423223
Energy: 1.1905186485840802
Energy: 0.9889731291047461
Energy: 0.9204727678205383
Energy: 1.0879446597351259
Energy: 0.9204727678213057
Energy: 1.156267196797963
Energy: 1.05748084697409
Energy: 1.0902098681963357
Energy: 1.05748084697409
Energy: 0.9509506403594453
Energy: 0.9155160528461812
Energy: 1.1650512572122123
Energy: 0.9155160528481102
Energy: 0.9300781271609204
Energy: 1.0618619690659503
Energy: 1.0916239119749824
Energy: 1.0618619690665418
Energy: 1.0573014576926771
Energy: 0.9167003925811033
Energy: 1.0137184378420951
Energy: 0.9167003925805333
Energy: 0.8007368480734366
Energy: 0.9128248093860778
Energy: 1.0176136592871405
Energy: 0.912824809386253
Energy: 0.8462235126366998
Energy: 0.7542223465203945
Energy: 1.174367504818288
Energy: 0.7542223465200002
Energy: 0.8864201309079929
Energy: 0.8061327248314458
Energy: 0.960404067549418
Energy: 0.8061327248322131
Energy: 1.052579166514543
Energy: 0.9204671905021844
Energy: 1.0182138188794465
Energy: 0.9204671905033461
Energy: 1.061714372896154
Energy: 0.9154242936906165
Energy: 1.0100085908039051
Energy: 0.9154242936904193
Energy: 0.9525242196708327
Energy: 0.9184264055141013
Energy: 1.1737914606147306
Energy: 0.9184264055139039
Energy: 0.9739325701539852
Energy: 1.0653671518866306
Energy: 1.1724015406735537
Energy: 1.0653671518864332

minimum gb energy = 0.7405802774791704 eV
minimum distance =  2.33157225577425 Angstroms
sigma value = 25


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

Energy: 0.6472826510808335
Energy: 0.7514968711185588
Energy: 1.010850180317302
Energy: 0.7514968711185588
Energy: 0.7690501898712675
Energy: 0.7888098834801619
Energy: 0.8482833398663713
Energy: 0.7888098834816683
Energy: 0.8912836992525562
Energy: 0.788581709576071
Energy: 0.8227559444123536
Energy: 0.7885817095745647
Energy: 0.8970882080119121
Energy: 0.8874562010975496
Energy: 0.9423825907161654
Energy: 0.8874562010975496
Energy: 0.8009842768720896
Energy: 0.8816371202388645
Energy: 0.9815599971862976
Energy: 0.8816371202403708
Energy: 0.9440178546248706
Energy: 0.9569487878079873
Energy: 0.9920259478589355
Energy: 0.9569487878079873
Energy: 0.8546842634776429
Energy: 0.8814166558121185
Energy: 0.8947286696744016
Energy: 0.881416655815131
Energy: 0.9993479744790943
Energy: 0.9557157338838799
Energy: 1.0286739073544662
Energy: 0.955715733885386
Energy: 0.8503931831233423
Energy: 0.8810417465111647
Energy: 0.9417646998439392
Energy: 0.8810417465111647
Energy: 1.0052598588559862
Energy: 1.038704816175509
Energy: 0.9657228200843543
Energy: 1.038704816175509
Energy: 0.8468506416130033
Energy: 0.8812990492589514
Energy: 0.9587664093960382
Energy: 0.8812990492604575
Energy: 1.001968999346104
Energy: 0.9578914189077842
Energy: 1.030468345665328
Energy: 0.9578914189077842
Energy: 0.8624722139664929
Energy: 0.8809779230089266
Energy: 0.9053021480012059
Energy: 0.880977923010433
Energy: 1.0015234015103391
Energy: 0.9585411374866861
Energy: 0.9130199237182914
Energy: 0.9585411374866861
Energy: 0.8250755464951014
Energy: 0.8808084935764767
Energy: 0.9844747606519473
Energy: 0.8808084935764767
Energy: 0.8983958226363707
Energy: 0.8707625616259524
Energy: 0.9408227831556477
Energy: 0.8707625616259524
Energy: 0.8919193498406325
Energy: 0.7847145458021189
Energy: 0.8475903350363803
Energy: 0.7847145458021189
Energy: 0.7563990422382737
Energy: 0.7509886121749918
Energy: 0.8039955370561069
Energy: 0.7509886121764638
Energy: 0.6800850011162866
Energy: 0.7342817290258054
Energy: 0.9812024143249203
Energy: 0.7342817290288179
Energy: 0.7628516427344
Energy: 0.7270658864326403
Energy: 0.8495506796749887
Energy: 0.7270658864326403
Energy: 0.8915852810341585
Energy: 0.7858730345803024
Energy: 0.856144415562559
Energy: 0.78587303457729
Energy: 0.9471754581615827
Energy: 0.8391599477928898
Energy: 0.8619191355467721
Energy: 0.8391599477928898
Energy: 0.8251471695710185
Energy: 0.8796825843624723
Energy: 0.9822832941121296
Energy: 0.8796825843624723
Energy: 0.9473266246225958
Energy: 0.8722554134592587
Energy: 0.9926775427062515
Energy: 0.8722554134592587
Energy: 0.8548925933866789
Energy: 0.879239127642711
Energy: 0.9053027335836954
Energy: 0.879239127642711
Energy: 1.0482093463927895
Energy: 0.9611299917758285
Energy: 0.9223612026633814
Energy: 0.9611299917758285

minimum gb energy = 0.6472826510808335 eV
minimum distance =  2.33669118427275 Angstroms
sigma value = 41


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

Energy: 0.6253107908635311
Energy: 0.7058288612717831
Energy: 0.9356344596391849
Energy: 0.7058288612705482
Energy: 0.7131248907273687
Energy: 0.7539926276739033
Energy: 0.7674626911064735
Energy: 0.753992627676373
Energy: 0.7894339593628132
Energy: 0.7523688005322658
Energy: 0.6753000851175959
Energy: 0.7523688005322658
Energy: 0.8198651933527529
Energy: 0.7967669477258824
Energy: 0.770815112138577
Energy: 0.7967669477283522
Energy: 0.7277986396870312
Energy: 0.7725472907944878
Energy: 0.8967237377005286
Energy: 0.7725472907932529
Energy: 0.8717799571120668
Energy: 0.8355291234264942
Energy: 0.8737564772006017
Energy: 0.8355291234252592
Energy: 0.9155895405499046
Energy: 0.8294504783140777
Energy: 0.7761728370084062
Energy: 0.8294504783140777
Energy: 0.9272325721020234
Energy: 0.8602129806548681
Energy: 0.8717601509931917
Energy: 0.860212980656103
Energy: 0.8330674622076663
Energy: 0.828996984108396
Energy: 0.8623211490067982
Energy: 0.8289969841096028
Energy: 0.925479173182287
Energy: 0.9225204772896469
Energy: 0.9243284787533982
Energy: 0.922520477288412
Energy: 0.8762728211332536
Energy: 0.8281548223398152
Energy: 0.8112453007558781
Energy: 0.8281548223398152
Energy: 0.9127812838872653
Energy: 0.9274907444642867
Energy: 0.9157048809468108
Energy: 0.9274907444655216
Energy: 0.8824475902297106
Energy: 0.8271655390633773
Energy: 0.8351901991969082
Energy: 0.8271655390633773
Energy: 0.9240068966695971
Energy: 0.8722535480830038
Energy: 0.9239294459855079
Energy: 0.8722535480830038
Energy: 0.8456929556830258
Energy: 0.8275116485172908
Energy: 0.8518973588563479
Energy: 0.8275116485172908
Energy: 0.8719659546506353
Energy: 0.8727487727141632
Energy: 0.9067200321220272
Energy: 0.8727487727141632
Energy: 0.9188702796316381
Energy: 0.827510933622233
Energy: 0.790898030281503
Energy: 0.827510933622233
Energy: 0.870061268286079
Energy: 0.815434667301801
Energy: 0.8755835649289415
Energy: 0.8154346673042708
Energy: 0.7641206569233849
Energy: 0.7707767181953128
Energy: 0.8768517421055338
Energy: 0.770776718194078
Energy: 0.8219613320131305
Energy: 0.8143923885021298
Energy: 0.7664094926637972
Energy: 0.8143923885033647
Energy: 0.83973071069761
Energy: 0.7526878330658175
Energy: 0.7142933344952076
Energy: 0.7526878330670524
Energy: 0.7183099897801198
Energy: 0.7031061075695735
Energy: 0.7115849923979575
Energy: 0.7031061075683387
Energy: 0.6467430960412086
Energy: 0.7066474616163596
Energy: 0.8952235590217935
Energy: 0.7066474616138899
Energy: 0.7212264209376995
Energy: 0.7079894215944896
Energy: 0.7778745681759489
Energy: 0.7079894215957245
Energy: 0.787621840767317
Energy: 0.7520501386270613
Energy: 0.7145218903797468
Energy: 0.7520501386270613
Energy: 0.8224851887065666
Energy: 0.7430350044976266
Energy: 0.7700205708148082
Energy: 0.7430350044988615
Energy: 0.7638720112244867
Energy: 0.7719113437212919
Energy: 0.8966784914207182
Energy: 0.7719113437212919
Energy: 0.8233554514253149
Energy: 0.8010489205508468
Energy: 0.883080247599442
Energy: 0.8010489205409957
Energy: 0.9368724235271798
Energy: 0.8263676578975627
Energy: 0.8070949123554735
Energy: 0.8263676578975627
Energy: 0.9281956483471687
Energy: 0.8162030173517886
Energy: 0.8744184638566511
Energy: 0.8162030173530235
Energy: 0.8458764781979413
Energy: 0.825915009427507
Energy: 0.8599475614955335
Energy: 0.8259150094299766
Energy: 0.860429115834446
Energy: 0.8736250731344107
Energy: 0.9564939754499916
Energy: 0.8736250731331758

minimum gb energy = 0.6253107908635311 eV
minimum distance =  2.3404563461637 Angstroms
sigma value = 15


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

Energy: 0.6255045327586157
Energy: 0.6792132330188285
Energy: 0.9006069590807741
Energy: 0.679213233021967
Energy: 0.6805298603067037
Energy: 0.7017243703351563
Energy: 0.713801734248752
Energy: 0.7017243703351563
Energy: 0.7522492129173541
Energy: 0.6986554324746335
Energy: 0.695481671341798
Energy: 0.6986554324777718
Energy: 0.7585505664942103
Energy: 0.7296137294925773
Energy: 0.7131150778540348
Energy: 0.7296137294967618
Energy: 0.718269500411104
Energy: 0.729020228624021
Energy: 0.7981047457200138
Energy: 0.7290202286208827
Energy: 0.7636284970686408
Energy: 0.7560663975093025
Energy: 0.7974655911737658
Energy: 0.7560663975093025
Energy: 0.839946897851639
Energy: 0.7413736513865523
Energy: 0.7213970534131364
Energy: 0.7413736513875984
Energy: 0.8010237099007367
Energy: 0.7805706484081831
Energy: 0.8038157666203082
Energy: 0.7805706484092292
Energy: 0.7525945980896563
Energy: 0.774416955646993
Energy: 0.7854122686440953
Energy: 0.7744169556480393
Energy: 0.8083015387330469
Energy: 0.7973345028996482
Energy: 0.8400147207929791
Energy: 0.7973345028996482
Energy: 0.8135995963195594
Energy: 0.7744231289415673
Energy: 0.7300217422294496
Energy: 0.7744231289405211
Energy: 0.8350130240473415
Energy: 0.8380057150837142
Energy: 0.8430175634684941
Energy: 0.8380057150837142
Energy: 0.7725401088599061
Energy: 0.7734590508773828
Energy: 0.7663598989075091
Energy: 0.7734590508763366
Energy: 0.8370615039874546
Energy: 0.8420972225368841
Energy: 0.8318350637770184
Energy: 0.8420972225368841
Energy: 0.7971880154972352
Energy: 0.7728892933075243
Energy: 0.7531459715018904
Energy: 0.7728892933064783
Energy: 0.8372060093339221
Energy: 0.8417251740261311
Energy: 0.8420678699226292
Energy: 0.8417251740261311
Energy: 0.808219956730209
Energy: 0.7730053798527656
Energy: 0.7595963535530517
Energy: 0.7730053798538118
Energy: 0.8412354156351457
Energy: 0.8037722902993855
Energy: 0.8008471410073739
Energy: 0.8037722902972932
Energy: 0.770193397427201
Energy: 0.7729344805369013
Energy: 0.7794442975397673
Energy: 0.7729344805369013
Energy: 0.8028910468048346
Energy: 0.7986140801046383
Energy: 0.8041699414362279
Energy: 0.7986140801035922
Energy: 0.8421023628112272
Energy: 0.7387923377030207
Energy: 0.7329243504027482
Energy: 0.7387923377019744
Energy: 0.7958808556701599
Energy: 0.7657466383558325
Energy: 0.7659963262072615
Energy: 0.7657466383579247
Energy: 0.7306978383011274
Energy: 0.7269908261615222
Energy: 0.8045317981947653
Energy: 0.7269908261604761
Energy: 0.7607461157313852
Energy: 0.716135571069899
Energy: 0.7137608330707959
Energy: 0.7161355710688527
Energy: 0.7510807338153979
Energy: 0.6970269525034519
Energy: 0.6983598778004786
Energy: 0.6970269524992674
Energy: 0.670961129183321
Energy: 0.6692960838529228
Energy: 0.7165429796632783
Energy: 0.6692960838508306
Energy: 0.6479817722836253
Energy: 0.675291260332958
Energy: 0.7962744282579959
Energy: 0.6752912603340041
Energy: 0.6801646000406101
Energy: 0.6717706713734838
Energy: 0.7147470436974227
Energy: 0.6717706713703455
Energy: 0.7542539794520918
Energy: 0.6953955908231952
Energy: 0.6981939252455581
Energy: 0.695395590821103
Energy: 0.7546848175912755
Energy: 0.7000304080306814
Energy: 0.7290816930749904
Energy: 0.7000304080327736
Energy: 0.7290368228439463
Energy: 0.7265727191438888
Energy: 0.7977312461230206
Energy: 0.7265727191428425
Energy: 0.7618415682444776
Energy: 0.7407857416760777
Energy: 0.7986519290197178
Energy: 0.7407857416771237
Energy: 0.8447010490578437
Energy: 0.737686778946519
Energy: 0.7313684482581723
Energy: 0.737686778947565
Energy: 0.8383652052538095
Energy: 0.7579423257752326
Energy: 0.7664780957461563
Energy: 0.7579423257773249
Energy: 0.7697116245913692
Energy: 0.771964353411205
Energy: 0.8624191970188408
Energy: 0.7719643534132972
Energy: 0.8079667382506371
Energy: 0.798145748162982
Energy: 0.8393794281041721
Energy: 0.798145748161936
Energy: 0.8153915082228146
Energy: 0.7721386087347797
Energy: 0.7580316671402897
Energy: 0.7721386087337337

minimum gb energy = 0.6255045327586157 eV
minimum distance =  2.34867547686789 Angstroms
sigma value = 85


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

Energy: 0.6002074902606784
Energy: 0.5888630412556735
Energy: 0.7089974608116206
Energy: 0.5888630412547661
Energy: 0.5431882099690284
Energy: 0.5901387657988668
Energy: 0.5848256048959456
Energy: 0.5901387657988668
Energy: 0.6195614571825434
Energy: 0.5937373918195816
Energy: 0.5789574214694576
Energy: 0.5937373918204889
Energy: 0.6326336632926074
Energy: 0.5916338068278006
Energy: 0.5850012700923279
Energy: 0.5916338068278006
Energy: 0.5951457718687514
Energy: 0.5958261404223139
Energy: 0.6764847940908378
Energy: 0.5958261404223139
Energy: 0.6306976294707554
Energy: 0.5911595401750892
Energy: 0.622285118673989
Energy: 0.5911595401741818
Energy: 0.7341048646230776
Energy: 0.6045107442684581
Energy: 0.5773599899062931
Energy: 0.6045107442684581
Energy: 0.685798157411798
Energy: 0.6585683393317622
Energy: 0.6423748447314662
Energy: 0.6585683393317622
Energy: 0.5776270041757815
Energy: 0.6126830890859876
Energy: 0.7671048868287574
Energy: 0.6126830890859876
Energy: 0.679834957909782
Energy: 0.6491291253392629
Energy: 0.6900428772222361
Energy: 0.6491291253401702
Energy: 0.6909527811831899
Energy: 0.612688323037854
Energy: 0.6040392479105062
Energy: 0.6126883230369468
Energy: 0.7535096424036568
Energy: 0.7043860251279686
Energy: 0.6904990162243353
Energy: 0.7043860251288757
Energy: 0.6016469197513258
Energy: 0.6122910052057791
Energy: 0.7172347011621233
Energy: 0.6122910052057791
Energy: 0.7472126772996208
Energy: 0.7770598385542061
Energy: 0.751736372815513
Energy: 0.7770598385542061
Energy: 0.6491707796890824
Energy: 0.6120976305150231
Energy: 0.6363595423432944
Energy: 0.6120976305150231
Energy: 0.7556457274273068
Energy: 0.7837321967692322
Energy: 0.7450293658986772
Energy: 0.7837321967701396
Energy: 0.6200278172186122
Energy: 0.612163770660359
Energy: 0.6752592076528598
Energy: 0.6121637706612663
Energy: 0.7475476208435382
Energy: 0.7833806796281523
Energy: 0.7601906219150669
Energy: 0.7833806796290597
Energy: 0.6217781448366935
Energy: 0.612250236673812
Energy: 0.6977459272213988
Energy: 0.6122502366747193
Energy: 0.6928651386240141
Energy: 0.7130981375453095
Energy: 0.7453399901113971
Energy: 0.7130981375462169
Energy: 0.6802020881949097
Energy: 0.612014968628921
Energy: 0.6221456646993179
Energy: 0.6120149686280139
Energy: 0.6861886041262641
Energy: 0.7068086768353963
Energy: 0.6911572021975398
Energy: 0.7068086768353963
Energy: 0.5866732065742484
Energy: 0.6120529160305271
Energy: 0.767476301425965
Energy: 0.61205291602962
Energy: 0.6252910168009711
Energy: 0.6374461946455277
Energy: 0.6838000191409717
Energy: 0.6374461946437132
Energy: 0.7334944645439005
Energy: 0.6167910793684459
Energy: 0.5857558243326345
Energy: 0.6167910793675386
Energy: 0.6327003728598188
Energy: 0.6217127220097344
Energy: 0.6212702155910994
Energy: 0.6217127220097344
Energy: 0.5478231569882422
Energy: 0.6109451758859448
Energy: 0.6780276113139554
Energy: 0.6109451758850376
Energy: 0.581761994417114
Energy: 0.5920755110736261
Energy: 0.5934153113948648
Energy: 0.5920755110718114
Energy: 0.6185434801181526
Energy: 0.5791883988102351
Energy: 0.5475602867195485
Energy: 0.5791883988102351
Energy: 0.5398217481703498
Energy: 0.536944558265084
Energy: 0.5837448316474732
Energy: 0.5369445582659914
Energy: 0.5047280158236778
Energy: 0.5604689162106055
Energy: 0.674441531509469
Energy: 0.5604689162106055
Energy: 0.5494833004069805
Energy: 0.5722848414075971
Energy: 0.5879023354468372
Energy: 0.5722848414085043
Energy: 0.6180670553872094
Energy: 0.5784810161987234
Energy: 0.5407884495256411
Energy: 0.5784810161996308
Energy: 0.6334584022132623
Energy: 0.5586414938653228
Energy: 0.5833182356532831
Energy: 0.5586414938653228
Energy: 0.5491152239895449
Energy: 0.6105692122611844
Energy: 0.6738487486433408
Energy: 0.6105692122611844
Energy: 0.5852633163422156
Energy: 0.5769793667424152
Energy: 0.6778817149551587
Energy: 0.5769793667424152
Energy: 0.731613679488798
Energy: 0.6160594238026579
Energy: 0.5857080783493642
Energy: 0.6160594238026579
Energy: 0.6872761209399496
Energy: 0.6186183761501967
Energy: 0.6415328698520372
Energy: 0.618618376151104
Energy: 0.5868401473246606
Energy: 0.6109259897723021
Energy: 0.7658805368062613
Energy: 0.6109259897732094
Energy: 0.6284627703306878
Energy: 0.6339704286794141
Energy: 0.750683861720148
Energy: 0.6339704286794141
Energy: 0.6928648497810349
Energy: 0.610936167747265
Energy: 0.6218624076552542
Energy: 0.6109361677481723
Energy: 0.7538661013396067
Energy: 0.7073141337379681
Energy: 0.6890160456337617
Energy: 0.7073141337370608
Energy: 0.6212331135076887
Energy: 0.6531933891010249
Energy: 0.7192075632823333
Energy: 0.6531933891001175

minimum gb energy = 0.5047280158236778 eV
minimum distance =  2.34269263251793 Angstroms
sigma value = 113


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

Energy: 0.01336583356414375
Energy: 0.013959028771448521
Energy: 1.0708572247728738
Energy: 0.013959028771448521
Energy: 0.014879218313071494
Energy: 0.7033052411089784
Energy: 0.014879218311695898
Energy: 0.7033052411089784
Energy: -0.6926882382020406
Energy: 0.013959028771448521
Energy: 0.01336583356414375
Energy: 0.013959028771448521
Energy: 0.01487921831237401
Energy: 0.7033052411089784
Energy: 0.01487921831237401
Energy: 0.7033052411089784
Energy: 0.01336583356414375
Energy: 0.01395902877212663
Energy: 1.0708572247708201
Energy: 0.01395902877212663
Energy: 0.014879218313071494
Energy: 0.7033052411083004
Energy: 0.014879218311695898
Energy: 0.7033052411089784

minimum gb energy = -0.6926882382020406 eV
minimum distance =  2.47984127092979 Angstroms
sigma value = 1