Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6200000196695328
cohesive_energy=3.540278438731604
mass=63.546
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: 0.013652862540021751
Energy: 0.014130098037146833
Energy: 0.01467539991414407
Energy: 0.014130098037146833
Energy: 0.014130098037146833
Energy: 0.6119456865224009
Energy: 0.014130098037146833
Energy: 0.6119456865224009
Energy: 0.014675399912893102
Energy: 0.014130098037146833
Energy: 0.013652862540021751
Energy: 0.014130098037146833
Energy: 0.014130098037146833
Energy: 0.6119456865224009
Energy: 0.014130098037146833
Energy: 0.6119456865229914

minimum gb energy = 0.013652862540021751 eV
minimum distance =  2.43555219160141 Angstroms
sigma value = 1


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

Energy: 0.9267602448714678
Energy: 0.877845185905448
Energy: 0.8774777088523453
Energy: 0.8778451859062065
Energy: 0.8487853861980289
Energy: 0.8897568752276407
Energy: 0.8498596662687327
Energy: 0.8897568752276407
Energy: 0.8257627194162529
Energy: 0.8680596326402452
Energy: 0.8808594939455227
Energy: 0.8680596326402452
Energy: 0.8421595072114895
Energy: 0.9156124666650227
Energy: 0.8289610245013566
Energy: 0.9156124666642641
Energy: 0.833493217987974
Energy: 0.8789018696578327
Energy: 0.8232421580279417
Energy: 0.8789018696585912
Energy: 0.813110470814358
Energy: 0.9809941324567718
Energy: 0.8119707713066694
Energy: 0.9809941324567718
Energy: 0.8523413284129924
Energy: 0.8686971967373603
Energy: 0.8145770626885876
Energy: 0.8686971967373603
Energy: 0.7807599358428908
Energy: 0.8791881159938012
Energy: 0.8001529879389917
Energy: 0.8791881159938012
Energy: 0.8282851919917334
Energy: 1.0251944759723755
Energy: 0.9345305506878715
Energy: 1.0251944759723755
Energy: 0.7992689561126093
Energy: 0.8678980143080386
Energy: 0.7774886668030242
Energy: 0.8678980143080386
Energy: 0.8595347273857333
Energy: 0.8910690198656793
Energy: 0.8284181529432266
Energy: 0.8910690198649208
Energy: 0.8995522711989994
Energy: 0.8790004784188287
Energy: 0.8076405751820007
Energy: 0.8790004784195872
Energy: 0.8482221781782113
Energy: 0.8673732894862781
Energy: 0.8520534572081877
Energy: 0.8673732894855195
Energy: 0.8388525974118224
Energy: 0.8730671641635881
Energy: 0.8179367240397224
Energy: 0.8730671641643466
Energy: 0.8895441762552568
Energy: 0.8778361707489839
Energy: 0.8343448319671104
Energy: 0.8778361707489839
Energy: 0.8417511774191232
Energy: 0.8778608668173168
Energy: 0.8484019002825742
Energy: 0.8778608668173168
Energy: 0.8808752908918198
Energy: 0.8680378527159344
Energy: 0.8082277251252771
Energy: 0.8680378527166929
Energy: 0.8498124633910317
Energy: 0.8640243530359973
Energy: 0.9545563015024073
Energy: 0.8640243530352387
Energy: 0.7770709225142631
Energy: 0.8787304991790158
Energy: 0.8067342322086644
Energy: 0.8787304991797744
Energy: 0.9412252694503345
Energy: 0.9857621557645826
Energy: 0.8299159348130993
Energy: 0.9857621557630655
Energy: 0.802530020075352
Energy: 0.8678068554870519
Energy: 0.7827976788336892
Energy: 0.8678068554870519
Energy: 0.8287840785689637
Energy: 0.9668843476767364
Energy: 0.9187393781704257
Energy: 0.9668843476767364
Energy: 0.907109894647813
Energy: 0.8793330403854626
Energy: 0.8064946649281663
Energy: 0.8793330403862212
Energy: 0.9004321316352575
Energy: 0.8678002025830993
Energy: 0.8138168357090297
Energy: 0.8678002025830993
Energy: 0.8146811431453883
Energy: 0.9781855049081335
Energy: 0.9240960764026709
Energy: 0.9781855049081335
Energy: 0.8355695780030192
Energy: 0.8788361348389361
Energy: 0.8169736519716891
Energy: 0.8788361348381776
Energy: 0.8456634239840172
Energy: 1.0172685070428171
Energy: 0.8282105078749233
Energy: 1.0172685070428171
Energy: 0.9134354370029943
Energy: 0.8673432284703647
Energy: 0.9149368682459704
Energy: 0.8673432284696062
Energy: 0.8479036912235816
Energy: 0.8909517248082761
Energy: 0.8479809601870497
Energy: 0.8909517248075175
Energy: 0.9272936510483303
Energy: 0.8780898803495071
Energy: 0.8944038414447067
Energy: 0.8780898803487486
Energy: 0.8516900613525052
Energy: 0.8742911224764354
Energy: 0.8481493340054251
Energy: 0.8742911224756769
Energy: 0.8300231807992913
Energy: 0.8686225560609431
Energy: 0.8394937747399629
Energy: 0.8686225560609431
Energy: 0.8334607279526011
Energy: 0.9149796537129896
Energy: 0.8243141505591881
Energy: 0.9149796537129896

minimum gb energy = 0.7770709225142631 eV
minimum distance =  2.27441569661277 Angstroms
sigma value = 1


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

Energy: 0.9856914969565042
Energy: 0.9348368406363223
Energy: 0.9250204747840244
Energy: 0.9348368406371872
Energy: 0.878087087676988
Energy: 0.9158390392549225
Energy: 0.8823449948996438
Energy: 0.9158390392549225
Energy: 0.8520901297051746
Energy: 0.9338467770102459
Energy: 0.8679464616285398
Energy: 0.9338467770102459
Energy: 0.8636236526110701
Energy: 0.8898382845055072
Energy: 0.8455049050481184
Energy: 0.8898382845046423
Energy: 0.8633218569552411
Energy: 0.9193312713043218
Energy: 0.9462293767717201
Energy: 0.9193312713034568
Energy: 0.956112563486327
Energy: 0.9169644493127231
Energy: 0.9553599715102505
Energy: 0.9169644493127231
Energy: 0.9472854293466294
Energy: 1.011823527772903
Energy: 0.8675643560295853
Energy: 1.011823527772903
Energy: 0.8076383585611662
Energy: 0.9337074649118742
Energy: 0.8249946626895813
Energy: 0.9337074649092792
Energy: 0.8575051143569958
Energy: 1.2212418717442644
Energy: 0.9968991406402545
Energy: 1.2212418717425346
Energy: 0.8396208494928213
Energy: 0.9339466386847405
Energy: 0.9255772692812229
Energy: 0.9339466386821457
Energy: 0.8842561952284475
Energy: 0.9013429931957604
Energy: 0.884806793229892
Energy: 0.9013429931966254
Energy: 0.8332245160858978
Energy: 0.9249381727308217
Energy: 0.8677915626331653
Energy: 0.9249381727290917
Energy: 0.8778950726527657
Energy: 0.9178442897659436
Energy: 0.8733896371564177
Energy: 0.9178442897650787
Energy: 0.8778697325177935
Energy: 0.9178593911352855
Energy: 0.8733514391927064
Energy: 0.9178593911370153
Energy: 0.8333088929840443
Energy: 0.9249040619987788
Energy: 0.9228874599674154
Energy: 0.9249040620005087
Energy: 0.8847024092682944
Energy: 0.9013365965818908
Energy: 0.8671505970110859
Energy: 0.9013365965810259
Energy: 0.8396576646185981
Energy: 0.9340324516662316
Energy: 0.8087612367856734
Energy: 0.9340324516679614
Energy: 0.8575440611318078
Energy: 1.221627238804332
Energy: 0.9968521383040618
Energy: 1.221627238804332
Energy: 0.8076375838220029
Energy: 0.9339755006672423
Energy: 0.8246925700743667
Energy: 0.9339755006663774
Energy: 0.9460290670434774
Energy: 1.0121092329423427
Energy: 0.8452836238326208
Energy: 1.0121092329432075
Energy: 0.9560320430668972
Energy: 0.9169517139876314
Energy: 0.8415672024000082
Energy: 0.9169517139859016
Energy: 0.8633355968067736
Energy: 0.9194500081278628
Energy: 0.8734103384734087
Energy: 0.9194500081269978
Energy: 0.8632404879114844
Energy: 0.8896945882281505
Energy: 0.8660371425156859
Energy: 0.8896945882290155
Energy: 0.8520342500545629
Energy: 0.9339193676156776
Energy: 0.9224376208933797
Energy: 0.9339193676156776
Energy: 0.8781543858586658
Energy: 0.9160711940781034
Energy: 0.8822598406030435
Energy: 0.9160711940781034
Energy: 0.9856914969565042
Energy: 0.9348368406363223
Energy: 0.9250204747840244
Energy: 0.9348368406371872
Energy: 0.878087087676988
Energy: 0.9158390392549225
Energy: 0.8823449948996438
Energy: 0.9158390392540575
Energy: 0.8520901297043095
Energy: 0.9338467770111107
Energy: 0.8679464616285398
Energy: 0.9338467770102459
Energy: 0.8636236526110701
Energy: 0.8898382845046423
Energy: 0.8455049050481184
Energy: 0.8898382845037773

minimum gb energy = 0.8076375838220029 eV
minimum distance =  2.25468533268601 Angstroms
sigma value = 25


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

Energy: 0.9077626812023313
Energy: 0.9729537305159904
Energy: 0.9933467343106099
Energy: 0.9729537305159904
Energy: 0.9243671504157996
Energy: 0.9720066095288669
Energy: 0.8985706104611927
Energy: 0.9720066095288669
Energy: 0.8916671391686409
Energy: 0.9985839912081239
Energy: 0.8874608782113058
Energy: 0.9985839912081239
Energy: 0.904252788666379
Energy: 0.9561475668700069
Energy: 0.8734156344513542
Energy: 0.9561475668700069
Energy: 0.8745613064768658
Energy: 0.985576411523044
Energy: 0.9903807924945127
Energy: 0.985576411523044
Energy: 1.0128357079552575
Energy: 0.9972548192255187
Energy: 1.0163466437864197
Energy: 0.9972548192255187
Energy: 0.9231788050428578
Energy: 0.9044323591148803
Energy: 0.8932206717827179
Energy: 0.9044323591138749
Energy: 1.1178362106203434
Energy: 0.9761577283316705
Energy: 0.8484590490091652
Energy: 0.9761577283316705
Energy: 0.89306193242615
Energy: 0.9472695932716625
Energy: 0.9224145444676819
Energy: 0.9472695932716625
Energy: 0.8892139182105626
Energy: 0.9983056567681312
Energy: 0.8700294978945597
Energy: 0.9983056567671258
Energy: 0.9149873517151119
Energy: 0.9723769934421506
Energy: 0.8967342497014935
Energy: 0.9723769934421506
Energy: 0.898606021443348
Energy: 0.9733063189022095
Energy: 0.8967646712923718
Energy: 0.9733063189022095
Energy: 0.8876792125606694
Energy: 0.957941763837077
Energy: 0.8685285093885068
Energy: 0.957941763837077
Energy: 0.8927064748766399
Energy: 0.887360276135432
Energy: 0.9249825394435777
Energy: 0.8873602761414646
Energy: 0.8640460978868714
Energy: 0.9734222507487238
Energy: 0.846632439063352
Energy: 0.9734222507487238
Energy: 0.9236509882360738
Energy: 0.9035395545017523
Energy: 0.8761851067031189
Energy: 0.9035395545017523
Energy: 0.8373093493890041
Energy: 0.9986688986775918
Energy: 0.8370492765463055
Energy: 0.9986688986775918
Energy: 0.8738453558261785
Energy: 0.9869323864119891
Energy: 0.9252813917162507
Energy: 0.9869323864119891
Energy: 0.8638253251128273
Energy: 0.9562336121550487
Energy: 0.8745108587701168
Energy: 0.9562336121540432
Energy: 0.9256514718026119
Energy: 0.9972803479466977
Energy: 0.9048873545997693
Energy: 0.9972803479456923
Energy: 0.9016065665422581
Energy: 0.9434770266225141
Energy: 0.8967653605481851
Energy: 0.9434770266225141
Energy: 0.9091193798284035
Energy: 0.9739699099855252
Energy: 1.0159763279386362
Energy: 0.9739699099855252
Energy: 0.9225523409311358
Energy: 0.9547502651213087
Energy: 0.8976388263676575
Energy: 0.9547502651213087
Energy: 1.0362540364826804
Energy: 1.0015057680342885
Energy: 0.8890170644811776
Energy: 1.0015057680342885
Energy: 1.048575691500237
Energy: 0.950447119862338
Energy: 0.8745444706961685
Energy: 0.950447119862338

minimum gb energy = 0.8370492765463055 eV
minimum distance =  2.26050741695823 Angstroms
sigma value = 9


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

Energy: 0.9454325146020791
Energy: 0.9451189822347117
Energy: 1.0278454779453807
Energy: 0.9451189822347117
Energy: 0.9150850629187798
Energy: 0.9939425661928571
Energy: 0.9275697414117443
Energy: 0.9939425661928571
Energy: 0.9236065049607672
Energy: 0.9577550742775714
Energy: 0.9131416967239405
Energy: 0.9577550742775714
Energy: 1.0937590557893813
Energy: 1.031890933554488
Energy: 0.8845561944060563
Energy: 1.031890933554488
Energy: 1.0740504445168857
Energy: 0.998217823668118
Energy: 1.0510843040992264
Energy: 0.998217823668118
Energy: 0.8587561164126536
Energy: 0.9611062750890607
Energy: 1.1315318128436564
Energy: 0.9611062750890607
Energy: 0.9267128108079525
Energy: 0.9797499152433826
Energy: 0.8855326782981794
Energy: 0.9797499152445821
Energy: 1.0270843392997713
Energy: 0.9611315982380582
Energy: 0.8761678031201525
Energy: 0.9611315982368588
Energy: 0.9272121792762728
Energy: 0.9986504741305833
Energy: 0.9710259174747113
Energy: 0.9986504741305833
Energy: 0.9451477449197386
Energy: 0.9606874491674071
Energy: 0.9386903429661425
Energy: 0.9606874491674071
Energy: 0.893042716193497
Energy: 1.0143311405914106
Energy: 0.9005468062309688
Energy: 1.0143311405902113
Energy: 0.9447992472097068
Energy: 1.0556239638923697
Energy: 0.8848731975368304
Energy: 1.0556239638899707
Energy: 0.8585048874105088
Energy: 0.9451260383701113
Energy: 0.8588606735266932
Energy: 0.9451260383701113
Energy: 0.9274685763491805
Energy: 0.9367106917253345
Energy: 0.9272051577019222
Energy: 0.9367106917253345
Energy: 0.8585177448276409
Energy: 0.9445238286773548
Energy: 1.0273883624669733
Energy: 0.9445238286773548
Energy: 0.9449037283636056
Energy: 1.055685838637057
Energy: 0.8848222556070038
Energy: 1.0556858386382564
Energy: 0.8930644782479095
Energy: 1.0141495639450682
Energy: 0.913451141836129
Energy: 1.014149563943869
Energy: 0.9452563564143432
Energy: 0.9605860221308451
Energy: 0.9387660567748961
Energy: 0.9605860221308451
Energy: 0.9272261251934106
Energy: 0.998637503164632
Energy: 0.9031188604982461
Energy: 0.998637503164632
Energy: 1.02711577557006
Energy: 0.9612153158815443
Energy: 0.8760704635437883
Energy: 0.9612153158815443
Energy: 0.9266810175432832
Energy: 0.9797064180423151
Energy: 0.8855711754706527
Energy: 0.9797064180423151

minimum gb energy = 0.8585048874105088 eV
minimum distance =  2.26413967763707 Angstroms
sigma value = 25


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

Energy: 0.8896265268147375
Energy: 1.0557521189894916
Energy: 1.0757487930146994
Energy: 1.0557521189894916
Energy: 0.8752293764436232
Energy: 1.0156521230638154
Energy: 0.8644887421715912
Energy: 1.0156521230638154
Energy: 0.8648756475666551
Energy: 1.0564464071058366
Energy: 0.8641108316416551
Energy: 1.0564464071058366
Energy: 0.8890707996546477
Energy: 1.0390459704137842
Energy: 1.0858940955748868
Energy: 1.0390459704137842
Energy: 1.0850793156326923
Energy: 0.9446657311353699
Energy: 0.8998540985281988
Energy: 0.9446657311338865
Energy: 0.8677271089320779
Energy: 1.0571061032282845
Energy: 1.194041503691344
Energy: 1.0571061032268012
Energy: 0.9446482193873612
Energy: 0.950972692092694
Energy: 0.8641161638868308
Energy: 0.950972692092694
Energy: 0.8768363452789631
Energy: 1.0572837498969216
Energy: 0.8880376577408741
Energy: 1.0572837498969216
Energy: 0.8644516418233082
Energy: 0.9495161978094395
Energy: 0.8765866852272387
Energy: 0.9495161978079562
Energy: 1.113112178103961
Energy: 1.0568872587196787
Energy: 0.8657885308621676
Energy: 1.0568872587181954
Energy: 0.8642483645075978
Energy: 1.0389447381097725
Energy: 1.290531965082888
Energy: 1.0389447381097725
Energy: 0.8659261608300405
Energy: 0.9574801533066781
Energy: 1.1153950924957878
Energy: 0.9574801533066781
Energy: 1.0748165561462215
Energy: 1.057863104524901
Energy: 0.8639817476403695
Energy: 1.057863104524901
Energy: 0.864062777737537
Energy: 1.0379871493424935
Energy: 0.8889910431910768
Energy: 1.0379871493424935
Energy: 0.9431848544550206
Energy: 1.0543381858980745
Energy: 0.8768677845043191
Energy: 1.0543381858995577
Energy: 0.8747229035499753
Energy: 1.057719781812043
Energy: 0.8676503100777992
Energy: 1.057719781812043
Energy: 0.8639216571434
Energy: 0.9466759768043972
Energy: 1.113894854092347
Energy: 0.9466759768043972

minimum gb energy = 0.8639216571434 eV
minimum distance =  2.33992628264652 Angstroms
sigma value = 17


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

Energy: 0.9569458359163683
Energy: 0.9565610583689672
Energy: 1.2268712768922025
Energy: 0.9565610583681271
Energy: 0.9702282868441515
Energy: 0.9696664302930098
Energy: 0.8722067716974589
Energy: 0.9696664302921698
Energy: 0.9658412379306558
Energy: 0.9518592960455492
Energy: 0.8724346241677895
Energy: 0.9518592960447091
Energy: 0.8734594342601053
Energy: 1.0785208270863766
Energy: 0.9712619110553491
Energy: 1.0785208270863766
Energy: 0.9840615853819771
Energy: 0.9718423081085996
Energy: 0.9170762696302255
Energy: 0.9718423081085996
Energy: 0.8825290400205524
Energy: 0.9740541118126586
Energy: 1.2233522080722237
Energy: 0.9740541118109785
Energy: 0.8741497898350449
Energy: 0.9717654253617615
Energy: 0.927957485362298
Energy: 0.9717654253609214
Energy: 0.9663841794121558
Energy: 0.9738784509774396
Energy: 0.8809339495562256
Energy: 0.9738784509774396
Energy: 0.8841642157293497
Energy: 1.002965013638067
Energy: 1.1157224337310168
Energy: 1.002965013638067
Energy: 1.139708964006972
Energy: 0.9358178898046257
Energy: 0.8731604880477911
Energy: 0.9358178898037856
Energy: 0.8761210048807762
Energy: 0.9586521316347908
Energy: 1.2165312718651105
Energy: 0.9586521316347908
Energy: 0.9347637775333528
Energy: 0.9694886910224362
Energy: 0.9334818639393023
Energy: 0.9694886910224362
Energy: 1.1621833289271641
Energy: 0.9592585304525253
Energy: 0.9617149653398025
Energy: 0.9592585304542053
Energy: 0.8721804543626366
Energy: 1.0134020604950216
Energy: 0.972582747885213
Energy: 1.0134020604941816
Energy: 0.9471880482702223
Energy: 1.0077566326828227
Energy: 0.933996883603313
Energy: 1.0077566326828227
Energy: 0.9672500530183145
Energy: 0.9573351402057139
Energy: 0.9670978647633796
Energy: 0.9573351402040338
Energy: 0.9272872168081207
Energy: 1.002613373662993
Energy: 1.1153941841717716
Energy: 1.0026133736613128
Energy: 1.0798348574931913
Energy: 0.9544217479018001
Energy: 0.8823760740866076
Energy: 0.9544217479026402
Energy: 0.9249434384267237
Energy: 1.0054419170706221
Energy: 0.9406291718640802
Energy: 1.0054419170706221
Energy: 0.9702559678485315
Energy: 1.078776750688984
Energy: 0.875115841084711
Energy: 1.078776750688984
Energy: 0.9182396210483077
Energy: 0.9525528184910925
Energy: 0.9657202672748877
Energy: 0.9525528184910925
Energy: 0.9283566799617666
Energy: 1.0297135884361237
Energy: 0.9922297591682666
Energy: 1.0297135884352833
Energy: 1.1065321249178897
Energy: 0.9568876360226848
Energy: 0.8714822102076375
Energy: 0.9568876360235249
Energy: 0.9370106112638859
Energy: 1.0059053533853306
Energy: 0.9670550325836992
Energy: 1.0059053533853306
Energy: 0.9715430191954315
Energy: 0.9538700083011046
Energy: 0.9653278315580156
Energy: 0.9538700083002645
Energy: 1.149161527986549
Energy: 0.956588405280877
Energy: 0.8727290781685311
Energy: 0.956588405280877
Energy: 0.930608828478773
Energy: 1.0944775008286467
Energy: 1.1571722286369492
Energy: 1.0944775008294867
Energy: 0.9693446038525192
Energy: 0.9733505567086196
Energy: 0.9674870744821273
Energy: 0.9733505567086196
Energy: 1.0557860351559545
Energy: 0.9566036522871195
Energy: 0.8745628059172842
Energy: 0.9566036522787569
Energy: 0.8809115532394295
Energy: 1.003310118488411
Energy: 1.0421294387285454
Energy: 1.0033101184892508

minimum gb energy = 0.8714822102076375 eV
minimum distance =  2.24483000335517 Angstroms
sigma value = 53


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

Energy: 0.7999985190289761
Energy: 0.7992620606849146
Energy: 1.186791546774595
Energy: 0.7992620606849146
Energy: 1.1071023096895656
Energy: 0.9219759455745747
Energy: 0.8176981257251722
Energy: 0.9219759455726407
Energy: 0.816493914293553
Energy: 0.7995144608727287
Energy: 1.0774819062598426
Energy: 0.7995144608727287
Energy: 0.8163639656075882
Energy: 0.799256220871991
Energy: 0.926224319160551
Energy: 0.7992562208700569
Energy: 1.1065200512143323
Energy: 0.9221116404435689
Energy: 0.8002002414244338
Energy: 0.9221116404435689
Energy: 0.7999985190289761
Energy: 0.7992620606849146
Energy: 1.2447990616115416
Energy: 0.7992620606849146
Energy: 1.1071023096895656
Energy: 0.9219759455745747
Energy: 0.9259352159697634
Energy: 0.9219759455745747
Energy: 0.816493914293553
Energy: 0.7995144608727287
Energy: 1.0774819062598426
Energy: 0.7995144608727287
Energy: 0.8163639656075882
Energy: 0.799256220871991
Energy: 0.9814301126515987
Energy: 0.799256220871991
Energy: 1.1065200512143323
Energy: 0.9221116404435689
Energy: 0.9125578277859873
Energy: 0.9221116404416348
Energy: 0.7999985190289761
Energy: 0.7992620606849146
Energy: 1.2447990616115416
Energy: 0.7992620606849146
Energy: 1.1071023096895656
Energy: 0.9219759455745747
Energy: 1.077724641747377
Energy: 0.9219759455745747
Energy: 0.816493914293553
Energy: 0.7995144608746628
Energy: 1.0774819062598426
Energy: 0.7995144608727287

minimum gb energy = 0.7992562208700569 eV
minimum distance =  2.31744263259091 Angstroms
sigma value = 9


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

Energy: 0.9412088344075346
Energy: 1.0572344745269164
Energy: 1.3246554865512041
Energy: 1.0572344745262006
Energy: 1.0936812954185047
Energy: 0.9741793361608161
Energy: 0.9273678705709929
Energy: 0.9741793361601003
Energy: 0.9016669762229874
Energy: 0.8868234486513472
Energy: 0.8907815168354046
Energy: 0.8868234486520631
Energy: 1.0532284949999835
Energy: 1.0915910819336694
Energy: 0.9048476523097227
Energy: 1.091591081934385
Energy: 1.1142504135136753
Energy: 0.9489275439045844
Energy: 0.9109274759251296
Energy: 0.9489275439045844
Energy: 0.9309458462100415
Energy: 0.9306055550132715
Energy: 1.262049673830435
Energy: 0.9306055550139873
Energy: 1.2427941595491456
Energy: 0.9376551253076755
Energy: 0.9306535747220493
Energy: 0.9376551253069596
Energy: 0.9067656908342937
Energy: 1.1082485947143423
Energy: 1.0318094944083416
Energy: 1.1082485947143423
Energy: 0.9110427905441404
Energy: 1.0991268453298146
Energy: 0.9428364994804037
Energy: 1.0991268453298146
Energy: 0.9402658115307817
Energy: 0.9524825266472455
Energy: 0.9534272893643028
Energy: 0.9524825266479614
Energy: 0.9066616378720062
Energy: 1.0627971941074317
Energy: 1.2262779376477628
Energy: 1.0627971941088634
Energy: 1.1273135868976383
Energy: 1.0212872189507332
Energy: 0.9296539021162887
Energy: 1.0212872189507332
Energy: 0.9014996654916525
Energy: 0.9768064605343041
Energy: 1.1251221648748178
Energy: 0.9768064605328725
Energy: 1.2004496435579026
Energy: 1.1278946034717754
Energy: 0.9026138705385709
Energy: 1.1278946034717754
Energy: 0.9087872083452619
Energy: 0.9899566514148935
Energy: 1.0631485888827543
Energy: 0.989956651416325
Energy: 0.9037687566118996
Energy: 1.09550577740836
Energy: 1.0198602189617727
Energy: 1.09550577740836
Energy: 0.9936793717100432
Energy: 1.061022465897747
Energy: 0.9106026285652766
Energy: 1.0610224658984626
Energy: 0.9095524005772063
Energy: 0.9377541765056618
Energy: 1.2126501553928273
Energy: 0.9377541765063776
Energy: 1.0791609015011565
Energy: 1.0251634854172644
Energy: 0.9330611202101339
Energy: 1.0251634854165486
Energy: 0.9048834816081448
Energy: 0.9540040379272965
Energy: 1.0437186131695924
Energy: 0.9540040379287281
Energy: 1.0165749520053367
Energy: 1.0959821480593104
Energy: 1.0191899293782893
Energy: 1.0959821480578789
Energy: 1.0033705048721442
Energy: 0.8941622808001142
Energy: 0.9027259239595427
Energy: 0.8941622807993983
Energy: 0.9371873234010615
Energy: 0.9830520763768738
Energy: 0.9592791470402844
Energy: 0.9830520763761579
Energy: 1.2663172956413529
Energy: 1.0225103631365347
Energy: 0.9041400719144604
Energy: 1.0225103631358188
Energy: 0.9065787597385713
Energy: 1.1448746022143712
Energy: 1.1883759165575363
Energy: 1.1448746022158027
Energy: 0.9500401630848052
Energy: 0.8873103142750581
Energy: 0.8989500724673315
Energy: 0.8873103142764899
Energy: 1.0435975274684426
Energy: 1.0799778103605302
Energy: 1.0532620807551727
Energy: 1.0799778103590985
Energy: 0.9535372761293601
Energy: 1.0559508160556252
Energy: 1.0545224375084403
Energy: 1.0559508160556252
Energy: 0.9665122045060253
Energy: 0.8868173416361117
Energy: 0.898278798484237
Energy: 0.8868173416375432
Energy: 0.9060098089759921
Energy: 1.0364561520569178
Energy: 1.2037523343109733
Energy: 1.0364561520547704
Energy: 1.1343405382484844
Energy: 1.072080415400522
Energy: 0.903516824597457
Energy: 1.0720804153998063
Energy: 0.9493053880809464
Energy: 0.9787398882554896
Energy: 1.0190328289051707
Energy: 0.9787398882554896
Energy: 0.9319694483748657
Energy: 1.0309193616845453
Energy: 0.9017191603651983
Energy: 1.0309193616831136
Energy: 1.0212542346137934
Energy: 1.0981072520953987
Energy: 1.015073057607893
Energy: 1.0981072520953987
Energy: 0.913480259736247
Energy: 1.1379456783135335
Energy: 1.1811157457706971
Energy: 1.1379456783142492

minimum gb energy = 0.8868173416361117 eV
minimum distance =  2.22131649970669 Angstroms
sigma value = 73


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

Energy: 0.9673470024092672
Energy: 0.9658549426457085
Energy: 1.3162564422753749
Energy: 0.9658549426457085
Energy: 0.9928549750122136
Energy: 0.9781172909716548
Energy: 0.9315612398385933
Energy: 0.9781172909716548
Energy: 0.9191522118903761
Energy: 1.0740593654931752
Energy: 0.8984623325572232
Energy: 1.0740593654931752
Energy: 0.9168906971893582
Energy: 1.0384328916777232
Energy: 0.9230387092804517
Energy: 1.0384328916765875
Energy: 0.9907164550226926
Energy: 0.9790721192505377
Energy: 0.9281599777083498
Energy: 0.979072119249402
Energy: 0.9248620891427204
Energy: 1.0725565005670032
Energy: 1.1430784513619292
Energy: 1.072556500568139
Energy: 1.2100365276778051
Energy: 1.0533010621589067
Energy: 0.9221310481141738
Energy: 1.0533010621600423
Energy: 0.9127048563122807
Energy: 0.8899956125723164
Energy: 1.1206213238777991
Energy: 0.889995612573452
Energy: 1.2125525812395723
Energy: 0.8907076043303724
Energy: 0.8897651035920835
Energy: 0.8907076043292368
Energy: 0.9199944487991529
Energy: 0.9842277252969824
Energy: 0.9192155546186461
Energy: 0.9842277252969824
Energy: 0.9111377506262873
Energy: 0.8906013290220073
Energy: 1.1366194872613036
Energy: 0.8906013290220073
Energy: 1.053025425537232
Energy: 1.051998658580949
Energy: 0.9171000300772465
Energy: 1.0519986585798133
Energy: 0.9209550572610938
Energy: 0.9630031804412952
Energy: 1.193150792407737
Energy: 0.9630031804412952
Energy: 1.1526427662472583
Energy: 1.0292220330562774
Energy: 0.9238320753812629
Energy: 1.0292220330562774
Energy: 0.9166932869988343
Energy: 1.0584794500375625
Energy: 1.1230136331350593
Energy: 1.0584794500386983
Energy: 1.1127000632460942
Energy: 0.8908108147166437
Energy: 0.9130284750969643
Energy: 0.8908108147177793
Energy: 0.9836772744503727
Energy: 0.9704416863256725
Energy: 0.9419095515336053
Energy: 0.9704416863234011
Energy: 0.9652851159466237
Energy: 1.0377141529819236
Energy: 0.9193883921708662
Energy: 1.0377141529807878
Energy: 1.049974019478332
Energy: 0.8899570661936512
Energy: 0.9110827145099322
Energy: 0.8899570661925157
Energy: 0.9196463193525029
Energy: 1.004127217673207
Energy: 1.17542080656161
Energy: 1.0041272176618499
Energy: 1.177588023548928
Energy: 0.9085830051357232
Energy: 0.9243357028333822
Energy: 0.9085830051357232
Energy: 0.9480521692991537
Energy: 0.9922044853476755
Energy: 1.0396924054880068
Energy: 0.9922044853476755

minimum gb energy = 0.8897651035920835 eV
minimum distance =  2.27705688464273 Angstroms
sigma value = 7


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

Energy: 0.9159065107807232
Energy: 0.9151083343945728
Energy: 1.3256799143487334
Energy: 0.915108334396982
Energy: 1.216102316433411
Energy: 0.9942006957272665
Energy: 0.9281489274188177
Energy: 0.9942006957256605
Energy: 0.9139441158881165
Energy: 1.0603786370432757
Energy: 0.9474684286950624
Energy: 1.0603786370448818
Energy: 0.9846187512778781
Energy: 0.978424605864877
Energy: 0.9438551562591229
Energy: 0.9784246058640741
Energy: 0.9261159629610416
Energy: 0.9697215936090797
Energy: 0.9536174756773217
Energy: 0.9697215936082766
Energy: 0.9168277943389068
Energy: 0.915781769899964
Energy: 1.1674690353628947
Energy: 0.9157817698975548
Energy: 1.0617137195908295
Energy: 1.0825112748134083
Energy: 0.9584527384188507
Energy: 1.0825112748142112
Energy: 0.9170688659201205
Energy: 0.918070565010082
Energy: 1.2160780470181316
Energy: 0.9180705650116882
Energy: 1.1292454763748734
Energy: 0.9698225034658027
Energy: 0.9362610641008401
Energy: 0.9698225034641966
Energy: 0.9233734358542626
Energy: 1.009527302769159
Energy: 1.0165846787934856
Energy: 1.009527302769962
Energy: 0.953406782398904
Energy: 1.0622806245828205
Energy: 0.9796036139449237
Energy: 1.0622806245836236
Energy: 0.9173176986153807
Energy: 0.9700927747288144
Energy: 0.9790283888134954
Energy: 0.9700927747280114
Energy: 0.9153042153795232
Energy: 0.9160932434806324
Energy: 0.9818409634049902
Energy: 0.9160932434798295
Energy: 0.9484117950546785
Energy: 0.9120531860835605
Energy: 0.9789880700409251
Energy: 0.9120531860835605
Energy: 0.9221017902875254
Energy: 1.089211715214699
Energy: 1.054946199157682
Energy: 1.0892117152155019
Energy: 1.332186338404932
Energy: 0.9114407614904617
Energy: 0.9200334547256996
Energy: 0.9114407614912647
Energy: 0.938207426357791
Energy: 0.9878312340413358
Energy: 1.1829579836994646
Energy: 0.9878312340397295
Energy: 0.9141672374124981
Energy: 1.0947946804844848
Energy: 0.9590659887494233
Energy: 1.0947946804836814
Energy: 0.9373620361491176
Energy: 1.0616823791980798
Energy: 0.9588576548304636
Energy: 1.0616823791956709
Energy: 0.9234568691233864
Energy: 0.969412866319251
Energy: 0.978375324854136
Energy: 0.9694128663208572
Energy: 0.9586400191991882
Energy: 1.0638576831676791
Energy: 0.922648055869644
Energy: 1.0638576831676791
Energy: 0.9239954858819807
Energy: 1.0649090433863524
Energy: 1.05360885964841
Energy: 1.0649090433863524
Energy: 1.1633393922409745
Energy: 1.0213099810994575
Energy: 0.9490272310201426
Energy: 1.0213099810986546
Energy: 0.9197448542660747
Energy: 0.9167887475039561
Energy: 1.1798355404165046
Energy: 0.9167887475031531
Energy: 0.9625874999016111
Energy: 0.9701467445802359
Energy: 0.9237885044841615
Energy: 0.9701467445778268
Energy: 0.9844880601993785
Energy: 1.0620611112644838
Energy: 0.948775861421402
Energy: 1.0620611112644838
Energy: 0.926456671630639
Energy: 1.0099847134069404
Energy: 0.9235387915442441
Energy: 1.0099847134069404
Energy: 1.0076102856217999
Energy: 0.9869940378056985
Energy: 0.9438671856178115
Energy: 0.9869940378065016
Energy: 0.9129640795592963
Energy: 0.9161421931913367
Energy: 1.072527597973287
Energy: 0.9161421931929428
Energy: 1.1658233768911874
Energy: 0.937906745511986
Energy: 0.9278748515163046
Energy: 0.937906745511183
Energy: 0.9129757448198562
Energy: 0.9159925349430906
Energy: 1.1943366777674491
Energy: 0.9159925349430906

minimum gb energy = 0.9114407614904617 eV
minimum distance =  2.2660645295536 Angstroms
sigma value = 29


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

Energy: 0.8683654101388392
Energy: 0.8625415118318712
Energy: 1.0296273423605646
Energy: 0.8625415118321509
Energy: 0.8381685316557218
Energy: 0.8380154603078472
Energy: 0.8663311479372539
Energy: 0.8380154603070392
Energy: 0.9191335454675678
Energy: 0.9130885235906288
Energy: 1.0293332087200633
Energy: 0.9130885235906288
Energy: 0.86650955208451
Energy: 0.8968114862328169
Energy: 0.8380308496609206
Energy: 0.8968114862325373
Energy: 0.8688434006833388
Energy: 0.8973419741306619
Energy: 1.1124471209860491
Energy: 0.8973419741303822
Energy: 0.8615441002408971
Energy: 0.9145100702198012
Energy: 0.8617295566396793
Energy: 0.9145100702198012
Energy: 0.8389578122020561
Energy: 0.897301943679095
Energy: 0.8688118216111097
Energy: 0.897301943679095
Energy: 0.8382096229793402
Energy: 0.8969310545872609
Energy: 0.8665655804673753
Energy: 0.8969310545878204
Energy: 1.029248805786013
Energy: 0.9133713144333541
Energy: 1.112420477586155
Energy: 0.9133713144330744

minimum gb energy = 0.8380154603070392 eV
minimum distance =  2.30664976614308 Angstroms
sigma value = 5


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

Energy: 0.8772525925859523
Energy: 0.8862911346089981
Energy: 1.1482478761499462
Energy: 0.8862911346074811
Energy: 0.9959865071180681
Energy: 0.8657142064262876
Energy: 0.8822994543559167
Energy: 0.865714206425529
Energy: 0.8626138773482268
Energy: 0.8833141496953033
Energy: 1.0194094477896432
Energy: 0.8833141496945448
Energy: 0.8723332156884391
Energy: 0.9300635831198771
Energy: 0.8649069577199111
Energy: 0.9300635831198771
Energy: 0.8683899867894022
Energy: 0.9336418545441272
Energy: 0.9971189147212012
Energy: 0.9336418545441272
Energy: 0.9378100825529505
Energy: 0.8883906079620755
Energy: 0.856598414861306
Energy: 0.8883906079620755
Energy: 0.8633731202563478
Energy: 0.9307100621610037
Energy: 0.8583216239218712
Energy: 0.9307100621610037
Energy: 0.8606095079846969
Energy: 0.9286718413058477
Energy: 0.8652141447606357
Energy: 0.928671841303572
Energy: 0.8671438577865227
Energy: 0.9313626468069612
Energy: 0.8641156530111769
Energy: 0.9313626468069612
Energy: 0.865806294135666
Energy: 0.9313312668339647
Energy: 0.8617453786663046
Energy: 0.9313312668339647
Energy: 0.9228145749992273
Energy: 0.9305963692069391
Energy: 0.8639704987336403
Energy: 0.9305963692069391
Energy: 0.8830923136670109
Energy: 0.8743154869989006
Energy: 0.8867715507520685
Energy: 0.8743154869935905
Energy: 0.9602204485228117
Energy: 0.8873356327337697
Energy: 0.882706684969745
Energy: 0.8873356327337697
Energy: 0.8737649351917717
Energy: 0.8867777455515905
Energy: 0.8893985749297046
Energy: 0.8867777455515905
Energy: 1.0061311576924723
Energy: 0.8595587388103662
Energy: 0.8642437784632807
Energy: 0.8595587388111247
Energy: 0.8637481906108737
Energy: 0.8836813471647984
Energy: 0.8883478881832716
Energy: 0.8836813471640399
Energy: 0.9970343804421703
Energy: 0.8756170971140712
Energy: 0.8897597637542797
Energy: 0.8756170971140712
Energy: 0.86665300236404
Energy: 0.8868593288180704
Energy: 0.9800540389434967
Energy: 0.8868593288180704
Energy: 0.8808876058324616
Energy: 0.9330555572558941
Energy: 0.8586901933730643
Energy: 0.9330555572566527
Energy: 0.8629004843007446
Energy: 0.9821988416657526
Energy: 0.8717374981283073
Energy: 0.9821988416657526
Energy: 0.8726310054230471
Energy: 0.927339947226017
Energy: 0.8623537490927957
Energy: 0.927339947226017
Energy: 0.8909171162143552
Energy: 0.9311171187872034
Energy: 0.8593089513453496
Energy: 0.9311171187864449
Energy: 0.8837158255350519
Energy: 0.9276171670053671
Energy: 0.8620354405101007
Energy: 0.9276171670053671
Energy: 0.8859849007016858
Energy: 0.924481921793517
Energy: 0.8634852228903299
Energy: 0.924481921793517
Energy: 0.892960853309992
Energy: 0.8798599422916291
Energy: 0.8668801430806687
Energy: 0.8798599422931463
Energy: 0.8762959594645517
Energy: 0.886595525449806
Energy: 0.8683041584706157
Energy: 0.8865955254490475
Energy: 0.864470232508185
Energy: 0.8571933612275879
Energy: 0.9223539665107212
Energy: 0.8571933612283466
Energy: 0.905568600360833
Energy: 0.8617615517964164
Energy: 0.863660047662424
Energy: 0.861761551797175
Energy: 0.8762073289446677
Energy: 0.8658713349837643
Energy: 1.1309316908376628
Energy: 0.8658713349830057
Energy: 0.9613255053003201
Energy: 0.8865493945821312
Energy: 0.8666542952270339
Energy: 0.8865493945813726
Energy: 0.8626457686798417
Energy: 0.8719923236614987
Energy: 0.962414737184546
Energy: 0.8719923236614987
Energy: 1.0013921031967838
Energy: 0.9333849462117975
Energy: 0.876618370074017
Energy: 0.933384946211039
Energy: 0.8656389986341011
Energy: 0.9299711203701374
Energy: 0.9952529900006417
Energy: 0.9299711203701374

minimum gb energy = 0.856598414861306 eV
minimum distance =  2.27520017172745 Angstroms
sigma value = 1


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

Energy: 0.9469379708463532
Energy: 0.8549079505410764
Energy: 1.1066280755873668
Energy: 0.8549079505410764
Energy: 0.9166082627409043
Energy: 0.820333369667505
Energy: 0.8375224828643324
Energy: 0.820333369667505
Energy: 0.8334174482701535
Energy: 0.8540665800847971
Energy: 0.9551109999455305
Energy: 0.8540665800837483
Energy: 0.8490664256829549
Energy: 0.911589471437142
Energy: 0.8406127848816661
Energy: 0.911589471437142
Energy: 0.8308994970150868
Energy: 0.8482536298021728
Energy: 1.0130605079018373
Energy: 0.8482536298021728
Energy: 0.8247729193662441
Energy: 0.9108931165624912
Energy: 0.8407181888947952
Energy: 0.9108931165624912
Energy: 0.8316157679314484
Energy: 0.9384705918457453
Energy: 0.8976098249753687
Energy: 0.9384705918457453
Energy: 0.8314377143619649
Energy: 0.8549051204581245
Energy: 0.8839397248832075
Energy: 0.8549051204570756
Energy: 0.8533991519798977
Energy: 0.8570412943073149
Energy: 0.8433431993866121
Energy: 0.8570412943073149
Energy: 0.8534378934660718
Energy: 0.9214506079704732
Energy: 0.8755832042626703
Energy: 0.9214506079704732
Energy: 0.8314905095168056
Energy: 0.9081944595042847
Energy: 0.8432000939868292
Energy: 0.9081944595032359
Energy: 0.8313274867772522
Energy: 0.9350114374159944
Energy: 0.9583610824044072
Energy: 0.9350114374159944
Energy: 0.8243266348359134
Energy: 0.9112616633302099
Energy: 0.842140390118958
Energy: 0.9112616633302099
Energy: 0.8240496481219366
Energy: 0.8551733726938592
Energy: 0.854384821142761
Energy: 0.8551733726938592
Energy: 0.873681517540907
Energy: 0.9086156523200102
Energy: 0.8422877806726762
Energy: 0.9086156523200102
Energy: 0.8333014468072262
Energy: 0.8543024153829805
Energy: 1.0424818428717608
Energy: 0.8543024153840293
Energy: 1.0888480019626507
Energy: 0.8204878934025809
Energy: 0.8355254299550209
Energy: 0.820487893401532
Energy: 0.9469379708463532
Energy: 0.8549079505410764
Energy: 1.1066280755905133
Energy: 0.8549079505421253
Energy: 0.9166082628551825
Energy: 0.820333369667505
Energy: 0.8375224828643324
Energy: 0.820333369667505
Energy: 0.8334174482701535
Energy: 0.8540665800847971
Energy: 0.9551109999476284
Energy: 0.8540665800847971
Energy: 0.8490664256819059
Energy: 0.911589471437142
Energy: 0.8406127848816661
Energy: 0.911589471437142
Energy: 0.8308994970150868
Energy: 0.8482536298021728
Energy: 1.013060507902886
Energy: 0.8482536298021728
Energy: 0.8247729193662441
Energy: 0.9108931165624912
Energy: 0.8407181888947952
Energy: 0.9108931165624912
Energy: 0.8316157679303995
Energy: 0.9384705918457453
Energy: 0.8976098249753687
Energy: 0.9384705918457453

minimum gb energy = 0.820333369667505 eV
minimum distance =  2.27911283708283 Angstroms
sigma value = 17


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

Energy: 0.8518933109675212
Energy: 0.8512409817634189
Energy: 1.1904956134635525
Energy: 0.8512409817634189
Energy: 0.9306285739264636
Energy: 0.842141355374371
Energy: 0.8318364817793455
Energy: 0.8421413553737226
Energy: 0.8291845191637932
Energy: 0.844332759499249
Energy: 1.0051539072511375
Energy: 0.844332759499249
Energy: 0.8940906110528953
Energy: 0.8233538750758564
Energy: 0.8279011026516853
Energy: 0.8233538750745599
Energy: 0.8265284271393868
Energy: 0.8476487090941034
Energy: 1.0236703452360347
Energy: 0.8476487090941034
Energy: 0.8514536690465127
Energy: 0.8310490640533261
Energy: 0.8359770992188489
Energy: 0.8310490640747192
Energy: 0.8423684764453324
Energy: 0.8940666528827553
Energy: 0.8497658413509417
Energy: 0.8940666528834036
Energy: 0.825446068970745
Energy: 1.0101595013100277
Energy: 0.8293115820376104
Energy: 1.0101595013093794
Energy: 0.8527739299979218
Energy: 0.8835252515148331
Energy: 0.8719469093974002
Energy: 0.8835252515148331
Energy: 0.8557527706810916
Energy: 0.8814935536403425
Energy: 0.8315812328511022
Energy: 0.8814935536409908
Energy: 0.8289374514929112
Energy: 0.8684006278702697
Energy: 0.8301246613414406
Energy: 0.8684006278715662
Energy: 0.8308584429110063
Energy: 0.8870621111464285
Energy: 0.8324835713736519
Energy: 0.8870621111470768
Energy: 0.8278000553355742
Energy: 1.0040129818789454
Energy: 0.830789567048268
Energy: 1.0040129818795938
Energy: 0.8429183661074588
Energy: 0.9046612427750104
Energy: 0.870704562800041
Energy: 0.9046612427737137
Energy: 0.8444025977460418
Energy: 0.82667927692769
Energy: 0.8593633464259655
Energy: 0.8266792769257452
Energy: 0.8299435734142547
Energy: 0.8454153394137017
Energy: 1.018633265930145
Energy: 0.8454153394137017
Energy: 0.8783264280474152
Energy: 0.8271213921510361
Energy: 0.8307423961252275
Energy: 0.8271213921503878
Energy: 0.8242848492067963
Energy: 0.8519015410017553
Energy: 0.9684152001516703
Energy: 0.8519015410037002
Energy: 0.9457430108077581
Energy: 0.8303184233962316
Energy: 0.8323171387120516
Energy: 0.8303184233942867
Energy: 0.832477803766343
Energy: 0.8438993900567076
Energy: 0.8838125193216058
Energy: 0.8438993900554109
Energy: 0.9874480325536841
Energy: 0.8371331056141019
Energy: 0.84553044973221
Energy: 0.8371331056147502
Energy: 0.8459093905918658
Energy: 0.853018526277593
Energy: 0.8637075304182145
Energy: 0.8530185262762965
Energy: 0.8616515178263264
Energy: 0.8307983414083389
Energy: 0.8338344940366003
Energy: 0.8307983414070422
Energy: 0.8315847409819176
Energy: 0.8368649713831638
Energy: 0.9698072946506291
Energy: 0.8368649713825156
Energy: 0.8487176816247244
Energy: 0.8524751123705085
Energy: 0.8258585834641404
Energy: 0.8524751123705085
Energy: 0.8438866285741421
Energy: 0.9056608457952143
Energy: 0.8754666296387011
Energy: 0.9056608457958626
Energy: 0.9433595556588734
Energy: 0.8780384576603305
Energy: 0.8299263750161232
Energy: 0.8780384576609788
Energy: 0.863075469578052
Energy: 0.9889017968200678
Energy: 0.8314759881237812
Energy: 0.9889017968207162
Energy: 0.8669570071271157
Energy: 0.9039589366894198
Energy: 0.8436918942656598
Energy: 0.9039589366894198
Energy: 0.8439571335174074
Energy: 0.8761865075630086
Energy: 0.8780293686413205
Energy: 0.8761865075643052
Energy: 0.8305147758983364
Energy: 0.9031127844122583
Energy: 0.8336744962273435
Energy: 0.9031127844129065
Energy: 0.8427333945861822
Energy: 0.8682248617188963
Energy: 0.8302275395832532
Energy: 0.8682248617175999
Energy: 0.8298730836638226
Energy: 0.8821636441526296
Energy: 0.9602254766230514
Energy: 0.8821636441539262
Energy: 0.8832572599596932
Energy: 1.000907883000335
Energy: 0.8372022899859681
Energy: 1.000907882999687
Energy: 0.8279810208836963
Energy: 0.85347063073946
Energy: 0.8613450892886633
Energy: 0.8534706307375152
Energy: 0.8502808555744892
Energy: 0.8954487571584574
Energy: 0.8491438562228956
Energy: 0.8954487571584574
Energy: 0.8339342294666608
Energy: 0.8317741877022338
Energy: 0.8483612009061288
Energy: 0.8317741877035303
Energy: 1.0230926787036532
Energy: 0.8477654467552205
Energy: 0.8335596839167847
Energy: 0.8477654467539238

minimum gb energy = 0.8233538750745599 eV
minimum distance =  2.27703217579383 Angstroms
sigma value = 89


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

Energy: 0.755674903104012
Energy: 0.7555901694463288
Energy: 1.014215365426734
Energy: 0.7555901694463288
Energy: 0.7645296540186817
Energy: 0.775045320548619
Energy: 0.7668678686658827
Energy: 0.775045320548619
Energy: 0.7654372449761891
Energy: 0.8084094835340827
Energy: 1.3087871210286481
Energy: 0.8084094835357788
Energy: 0.7596936648899727
Energy: 0.7750178254306742
Energy: 0.7669113971803775
Energy: 0.7750178254306742
Energy: 0.7645538056497838
Energy: 0.7565177135806351
Energy: 1.2187189242204148
Energy: 0.7565177135806351
Energy: 0.7647971303962879
Energy: 0.7562739857118632
Energy: 0.758217722031944
Energy: 0.7562739857118632
Energy: 0.7655035690503125
Energy: 0.8858538258273795
Energy: 0.755798121640722
Energy: 0.8858538258273795
Energy: 0.7795491742104781
Energy: 0.8075498896029917
Energy: 0.7668541148565254
Energy: 0.8075498896029917
Energy: 0.7646744558303509
Energy: 0.8339347160856141
Energy: 0.7615914721376608
Energy: 0.8339347160856141
Energy: 0.7752979923961342
Energy: 0.7561304335362475
Energy: 0.7580948910953562
Energy: 0.7561304335379438
Energy: 0.7554059930240432
Energy: 0.775621601096378
Energy: 0.7646489110357992
Energy: 0.775621601096378
Energy: 0.7554181442833263
Energy: 0.8869681369932184
Energy: 0.7669359413573145
Energy: 0.8869681369932184
Energy: 0.7646118713426658
Energy: 0.7559325603829395
Energy: 0.7617137450665745
Energy: 0.7559325603829395
Energy: 0.7646524579327074
Energy: 0.8326901547252087
Energy: 0.7646696456420247
Energy: 0.8326901547252087
Energy: 0.7774217934196903
Energy: 0.7557800994215855
Energy: 0.7664958112517014
Energy: 0.7557800994215855

minimum gb energy = 0.7554059930240432 eV
minimum distance =  2.29543139649238 Angstroms
sigma value = 13


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

Energy: 0.762822807774943
Energy: 0.7456676203786845
Energy: 1.173161212340921
Energy: 0.7456676203793955
Energy: 1.0611092888951492
Energy: 0.7615541915187313
Energy: 0.743858573700596
Energy: 0.7615541915180204
Energy: 0.7466421791255294
Energy: 0.7461089535827193
Energy: 1.166536624824163
Energy: 0.7461089535848524
Energy: 0.7459545344612799
Energy: 0.8615321239040645
Energy: 0.7414012382130573
Energy: 0.8615321239040645
Energy: 0.7508776507737469
Energy: 0.8004349263107597
Energy: 0.939290129382969
Energy: 0.8004349263121817
Energy: 0.7525754811299235
Energy: 0.7605069170673977
Energy: 0.7491126499433942
Energy: 0.7605069170673977
Energy: 0.7527927813252675
Energy: 0.7529777868036653
Energy: 0.9482407153764106
Energy: 0.7529777868043762
Energy: 0.7497565965922007
Energy: 0.86016887133397
Energy: 0.7493314591880338
Energy: 0.8601688577835205
Energy: 0.7525311460557262
Energy: 0.8032437523922386
Energy: 0.8723819285035268
Energy: 0.8032437523922386
Energy: 0.892721724269406
Energy: 0.8152843336143641
Energy: 0.7414632331340988
Energy: 0.8152843336157861
Energy: 0.7507248312785586
Energy: 0.8142264250048659
Energy: 0.7574818390306766
Energy: 0.8142264250020868
Energy: 0.9592103526536034
Energy: 0.8126368321563893
Energy: 0.7407014253600593
Energy: 0.8126368321549674
Energy: 0.7716523536398321
Energy: 0.7537837453181545
Energy: 0.7585134168653068
Energy: 0.7537837453181545
Energy: 0.9671864505200461
Energy: 0.8131836014351809
Energy: 0.7406173859072711
Energy: 0.8131836014380246
Energy: 0.7528621401657908
Energy: 0.7457294240010264
Energy: 0.7589514884863231
Energy: 0.7457294239981825
Energy: 0.7397031997038661
Energy: 0.8135529374179454
Energy: 0.7486108212908117
Energy: 0.8135529374172344
Energy: 0.7493938009909527
Energy: 0.7959364463576314
Energy: 0.7490274642791807
Energy: 0.7959364463554984
Energy: 0.7693120991113402
Energy: 0.8009290549322168
Energy: 0.7574471557686809
Energy: 0.8009290549329279
Energy: 0.7492641129586685
Energy: 0.7536655234694271
Energy: 0.7575224445185877
Energy: 0.7536655234672941
Energy: 0.749121446915643
Energy: 0.7537062709676391
Energy: 0.757772496227063
Energy: 0.7537062709690611
Energy: 0.7696180206264082
Energy: 0.8008911258910515
Energy: 0.7573862385398277
Energy: 0.8008911258910515
Energy: 0.7491287012008682
Energy: 0.7959933297569138
Energy: 0.7489316567795646
Energy: 0.7959933297569138
Energy: 0.7401130802373648
Energy: 0.8136233137411729
Energy: 0.7489539980701306
Energy: 0.8136233137383291
Energy: 0.7509281248759458
Energy: 0.7456454166278149
Energy: 0.7647548386070633
Energy: 0.7456454166256821
Energy: 0.9679543360679544
Energy: 0.8129255252024669
Energy: 0.7409060738587856
Energy: 0.8129255252017558
Energy: 0.7713889668733963
Energy: 0.7540846304259572
Energy: 0.764570226851646
Energy: 0.7540846304529734
Energy: 0.959508875787531
Energy: 0.8126946303141992
Energy: 0.7406792161656778
Energy: 0.8126946303156212
Energy: 0.7555322829875512
Energy: 0.8142454807497272
Energy: 0.739633140192417
Energy: 0.8142454807497272
Energy: 0.8921355439839898
Energy: 0.8152345986706853
Energy: 0.7414526147300807
Energy: 0.815234598672107
Energy: 0.7528897984661534
Energy: 0.8031967796052676
Energy: 0.8570585858048901
Energy: 0.8031967796052676
Energy: 0.7493650058489495
Energy: 0.8601646038737217
Energy: 0.7493679224015428
Energy: 0.8601646038744327
Energy: 0.7508160076894758
Energy: 0.7531761790497356
Energy: 0.9777931884447448
Energy: 0.7531761790483137
Energy: 0.7518842445679969
Energy: 0.7605938658620954
Energy: 0.7490762449240098
Energy: 0.7605938658628065
Energy: 0.7509000688998955
Energy: 0.8007167054920216
Energy: 0.949506797132515
Energy: 0.8007167054905997
Energy: 0.7452123831895733
Energy: 0.8606752195652407
Energy: 0.74136059592193
Energy: 0.8606752195673736

minimum gb energy = 0.739633140192417 eV
minimum distance =  2.2555540736098 Angstroms
sigma value = 37


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

Energy: 0.8001140344285956
Energy: 0.7227082957197954
Energy: 0.6927071224955282
Energy: 0.7227082957185723
Energy: 1.0989347900466067
Energy: 0.7015000177540176
Energy: 0.6875713808150118
Energy: 0.7015000177540176
Energy: 0.6995440167305614
Energy: 0.7973868729291509
Energy: 0.9721327683506306
Energy: 0.7973868729291509
Energy: 0.7724287590139604
Energy: 0.7143830003166112
Energy: 0.6892352615109691
Energy: 0.7143830003166112
Energy: 0.6882715529436714
Energy: 0.7015143505049467
Energy: 0.7409009131977049
Energy: 0.7015143505049467
Energy: 0.7091212026677881
Energy: 0.714360131764878
Energy: 0.7691000511453722
Energy: 0.714360131764878
Energy: 0.695240365476631
Energy: 0.7419243248130653
Energy: 0.9539730706475686
Energy: 0.7419243248130653
Energy: 0.6871040589874865
Energy: 0.7019704261107528
Energy: 0.7036829713341974
Energy: 0.7019704261095296
Energy: 0.688573680051967
Energy: 0.7015240188378137
Energy: 0.8581874769141988
Energy: 0.7015240188390369
Energy: 0.9735954196901113
Energy: 0.8023839354522878
Energy: 0.7679561369138274
Energy: 0.8023839354522878
Energy: 0.6998163718713399
Energy: 0.7560548296216484
Energy: 0.766991610423386
Energy: 0.7560548296204251
Energy: 0.8943312990810554
Energy: 0.7019334009813738
Energy: 0.6891702208480475
Energy: 0.7019334009813738
Energy: 0.7664892889653424
Energy: 0.701408957360029
Energy: 0.6845922715714483
Energy: 0.701408957360029
Energy: 0.9529808755319349
Energy: 0.7316810081723472
Energy: 0.678895968774183
Energy: 0.7316810081723472
Energy: 0.7986660763965868
Energy: 0.7319524476162882
Energy: 0.6789077217456513
Energy: 0.7319524476162882
Energy: 0.799011731326388
Energy: 0.7016891280808841
Energy: 0.6874565613991223
Energy: 0.7016891280808841
Energy: 0.7664857335547989
Energy: 0.7872775654065864
Energy: 0.6779387363184595
Energy: 0.7872775654065864
Energy: 0.7670059222698299
Energy: 0.7564959759321022
Energy: 0.6874049635412849
Energy: 0.7564959759308789
Energy: 0.6884924498665435
Energy: 0.7030258221369031
Energy: 0.6852746471181098
Energy: 0.7030258221369031
Energy: 0.6855414745775856
Energy: 0.7021102536007233
Energy: 0.7668469865327485
Energy: 0.7021102536019465

minimum gb energy = 0.6779387363184595 eV
minimum distance =  2.30824534384207 Angstroms
sigma value = 25


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

Energy: 0.725896779112256
Energy: 0.6320022678731544
Energy: 0.6180242268700233
Energy: 0.6320022678721993
Energy: 0.9595305206086931
Energy: 0.6387044006508334
Energy: 0.6241106823307039
Energy: 0.6387044006508334
Energy: 0.6897029415930013
Energy: 0.6284717607921213
Energy: 0.850194285173917
Energy: 0.6284717607911663
Energy: 0.8214658175262908
Energy: 0.6456502356431297
Energy: 0.6254454225329585
Energy: 0.6456502356421747
Energy: 0.632150372016564
Energy: 0.6334825913225114
Energy: 0.6537479980013862
Energy: 0.6334825913234665
Energy: 0.6781226664718968
Energy: 0.6956169676941811
Energy: 0.6318831056435251
Energy: 0.6956169676951363
Energy: 0.623555405875568
Energy: 0.6183333142018281
Energy: 0.8209863552929263
Energy: 0.618333314200873
Energy: 0.6165606589987889
Energy: 0.6577465801515749
Energy: 0.6910066711024905
Energy: 0.6577465801515749
Energy: 0.6230910146959643
Energy: 0.6386511121695977
Energy: 0.9487733378595351
Energy: 0.6386511121695977
Energy: 0.6053543867064493
Energy: 0.6209898800629942
Energy: 0.6530268087925174
Energy: 0.6209898800629942
Energy: 0.6236422330650677
Energy: 0.6180938108187024
Energy: 0.8897405433179605
Energy: 0.6180938108187024
Energy: 0.850092409357808
Energy: 0.8032290955281429
Energy: 0.6911911627793511
Energy: 0.8032290955300533
Energy: 0.626760440831192
Energy: 0.6452639739708369
Energy: 0.8219300146980291
Energy: 0.6452639739708369
Energy: 0.818096072151308
Energy: 0.6874961992247617
Energy: 0.6318922240852349
Energy: 0.6874961992228514
Energy: 0.6341841054588797
Energy: 0.6186613620553257
Energy: 0.678112169946843
Energy: 0.6186613620553257
Energy: 0.8652411466698535
Energy: 0.7274357812183583
Energy: 0.6220836180707509
Energy: 0.7274357812193134
Energy: 0.694526609937631
Energy: 0.6518481758114567
Energy: 0.6110444002126638
Energy: 0.6518481758124118
Energy: 0.8435706116653343
Energy: 0.6335150030384633
Energy: 0.6218081481657205
Energy: 0.6335150030403736
Energy: 0.7297662987587132
Energy: 0.6286360554240487
Energy: 0.6118451974981978
Energy: 0.6286360554230935
Energy: 0.9698140851227561
Energy: 0.721433185394624
Energy: 0.6227123770914826
Energy: 0.7214331853936689
Energy: 0.6929524292200229
Energy: 0.7185922294799137
Energy: 0.6084185611542176
Energy: 0.7185922294799137
Energy: 0.6901011661807233
Energy: 0.6455070014888137
Energy: 0.6299334784901941
Energy: 0.6455070014888137
Energy: 0.6341001781011166
Energy: 0.6849186528942157
Energy: 0.8183604623074295
Energy: 0.6849186528932607
Energy: 0.6746898428149629
Energy: 0.7213595107820127
Energy: 0.6307025228920026
Energy: 0.7213595107820127
Energy: 0.6218976372727606
Energy: 0.7190211450780764
Energy: 0.8651550982740254
Energy: 0.7190211450790314
Energy: 0.6106599148403393
Energy: 0.6517291665447318
Energy: 0.695746426992427
Energy: 0.6517291665456869

minimum gb energy = 0.6053543867064493 eV
minimum distance =  2.31297484357455 Angstroms
sigma value = 41


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

Energy: 0.7820292490912405
Energy: 0.5771491539889413
Energy: 1.024009743446015
Energy: 0.5771491539881584
Energy: 1.0174628293399277
Energy: 0.5659639311747026
Energy: 0.5606992554241629
Energy: 0.5659639311754857
Energy: 0.5761497959000128
Energy: 0.5586521580953748
Energy: 1.0243980259007763
Energy: 0.5586521580945918
Energy: 0.7774402369960202
Energy: 0.5664613830795041
Energy: 0.5606233613431192
Energy: 0.5664613830818533
Energy: 0.5572467024346969
Energy: 0.6917325762269718
Energy: 0.5546768246511539
Energy: 0.6917325762269718
Energy: 0.6686392879104983
Energy: 0.5665224718105086
Energy: 0.5606574227589126
Energy: 0.5665224718097255
Energy: 0.5599114788575819
Energy: 0.5663949670141433
Energy: 0.5918973496150138
Energy: 0.5663949670094449
Energy: 0.5521960174863478
Energy: 0.5767743816355603
Energy: 0.5578181855120328
Energy: 0.5767743816355603
Energy: 0.5627299672332473
Energy: 0.5778915798764677
Energy: 0.6954663630073812
Energy: 0.5778915798749014
Energy: 0.5528758518439582
Energy: 0.5589577807211097
Energy: 0.5765497389718011
Energy: 0.5589577807195437
Energy: 0.5599537406216502
Energy: 0.5662580333427647
Energy: 0.8923441592251953
Energy: 0.5662580333427647
Energy: 0.5510985224764726
Energy: 0.5773468663790751
Energy: 0.7826535258249997
Energy: 0.5773468663790751
Energy: 0.5627339092832785
Energy: 0.5770620277587601
Energy: 0.9000903341062336
Energy: 0.5770620277587601
Energy: 0.7650678755129502
Energy: 0.6390635964670415
Energy: 0.576665287658077
Energy: 0.6390635964678246
Energy: 0.5601157929629639
Energy: 0.5661627418930327
Energy: 0.7776015117374903
Energy: 0.5661627418914665
Energy: 0.7287839501361371
Energy: 0.703550687675764
Energy: 0.5579135028693432
Energy: 0.703550687675764
Energy: 0.5626679758993185
Energy: 0.5760515453839891
Energy: 0.6677045838810357
Energy: 0.5760515453832059
Energy: 0.7250998405536423
Energy: 0.6373477169835432
Energy: 0.5608447573653818
Energy: 0.6373477169827602
Energy: 0.559990207461383
Energy: 0.5766924650831672
Energy: 0.5537380363059957
Energy: 0.5766924650855164
Energy: 0.7103241265664745
Energy: 0.5779645371443884
Energy: 0.5662698064640378
Energy: 0.5779645371443884
Energy: 0.5786710016768833
Energy: 0.5761101938222685
Energy: 0.5525033129428175
Energy: 0.5761101938199192
Energy: 0.8922228639139322
Energy: 0.5897309378865068
Energy: 0.560766314051298
Energy: 0.5897309378872899
Energy: 0.7850272293854456
Energy: 0.5763523192186089
Energy: 0.5629711589505676
Energy: 0.5763523192193919
Energy: 0.7893331177547563
Energy: 0.5759329692588567
Energy: 0.562218275802812
Energy: 0.5759329692588567
Energy: 0.5787715207268173
Energy: 0.6340753465303516
Energy: 0.5681269915162218
Energy: 0.6340753465295687
Energy: 0.7770119543106625
Energy: 0.5897643591246786
Energy: 0.5607554918958674
Energy: 0.5897643591246786
Energy: 0.5601552770523026
Energy: 0.575812279891238
Energy: 0.7362901012064844
Energy: 0.575812279891238
Energy: 0.5572590656902381
Energy: 0.5759111677131371
Energy: 0.5635122463926449
Energy: 0.5759111677131371
Energy: 0.5627465822348574
Energy: 0.6344015414189216
Energy: 0.7262487584252244
Energy: 0.6344015414165725
Energy: 0.553727616994235
Energy: 0.6054860404946427
Energy: 0.5636832623757742
Energy: 0.6054860404946427
Energy: 0.5650693270797007
Energy: 0.5759646520224614
Energy: 0.7103627775001602
Energy: 0.575964652021714
Energy: 0.5508774725969594
Energy: 0.5759885632001092
Energy: 0.5823406630968969
Energy: 0.5759885632008923

minimum gb energy = 0.5508774725969594 eV
minimum distance =  2.30675438069453 Angstroms
sigma value = 15


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

Energy: 0.71160028405311
Energy: 0.5266626255787998
Energy: 0.5165826548453767
Energy: 0.5266626255781364
Energy: 1.00535473452453
Energy: 0.5241805284243075
Energy: 0.5245182358134889
Energy: 0.5241805284236442
Energy: 0.540495079604303
Energy: 0.523002438684608
Energy: 0.9571557486732752
Energy: 0.523002438682618
Energy: 0.8051194469423194
Energy: 0.5248924554393695
Energy: 0.5244668788593031
Energy: 0.5248924554387061
Energy: 0.5221849795842262
Energy: 0.6554044832423882
Energy: 0.7922254142219712
Energy: 0.6554044832430515
Energy: 0.6961678943625258
Energy: 0.5242902509496097
Energy: 0.5244975845908189
Energy: 0.5242902509509364
Energy: 0.5238103187513512
Energy: 0.5324009882935536
Energy: 0.5329107378658685
Energy: 0.532400988294217
Energy: 0.6048768796024256
Energy: 0.5319203474879639
Energy: 0.5243916613268523
Energy: 0.5319203474886273
Energy: 0.5258249812953594
Energy: 0.532755195972817
Energy: 0.632696150514447
Energy: 0.532755195972817
Energy: 0.5075150477607359
Energy: 0.5235308160317339
Energy: 0.5225444604923036
Energy: 0.5235308160317339
Energy: 0.5239124011281864
Energy: 0.523812772670082
Energy: 0.7992126364643879
Energy: 0.5238127726694187
Energy: 0.5086750217175692
Energy: 0.5232243779217863
Energy: 0.5409778526071726
Energy: 0.5232243779204596
Energy: 0.5256529425571009
Energy: 0.5334346614387093
Energy: 0.9012710704571132
Energy: 0.5334346614413626
Energy: 0.5074720111752357
Energy: 0.5259540702781604
Energy: 0.7126329004584524
Energy: 0.5259540702794872
Energy: 0.5239190905266942
Energy: 0.5244271018741959
Energy: 0.9161570160738276
Energy: 0.5244271018735326
Energy: 0.6924804077362033
Energy: 0.5231577960158988
Energy: 0.540982509363326
Energy: 0.5231577960152355
Energy: 0.5257365271683659
Energy: 0.5321397832364284
Energy: 0.8170509879430885
Energy: 0.5321397832377551
Energy: 0.6740318815554427
Energy: 0.5322431374225227
Energy: 0.5226062499184558
Energy: 0.5322431374231861
Energy: 0.5240172561766794
Energy: 0.5235077094116491
Energy: 0.7170501283618107
Energy: 0.5235077094116491
Energy: 0.6700671199496024
Energy: 0.5247575068845443
Energy: 0.5242635152512569
Energy: 0.5247575068845443
Energy: 0.5256976600202298
Energy: 0.5416973493427728
Energy: 0.6046200896328852
Energy: 0.5416973493407828
Energy: 0.6595077413512074
Energy: 0.5314111539179783
Energy: 0.5278681460048532
Energy: 0.5314111539173149
Energy: 0.5238422824828346
Energy: 0.5235519012164652
Energy: 0.5092678061201471
Energy: 0.5235519012184554
Energy: 0.8355273244106102
Energy: 0.5235794483797503
Energy: 0.5242858530532328
Energy: 0.5235794483784235
Energy: 0.542613933614131
Energy: 0.5415348525571395
Energy: 0.5085578762227826
Energy: 0.5415348525551495
Energy: 0.8249929106711864
Energy: 0.5318792053334048
Energy: 0.5278722547308461
Energy: 0.5318792053347314
Energy: 0.7135038102375023
Energy: 0.5229523101106992
Energy: 0.5205112520352219
Energy: 0.5229523101126892
Energy: 0.9129324609170101
Energy: 0.5229185987364767
Energy: 0.5244728704047088
Energy: 0.522918598727853
Energy: 0.542448795231131
Energy: 0.5886939247851389
Energy: 0.5254839645133966
Energy: 0.5886939247824855
Energy: 0.7208031934526807
Energy: 0.5317060595891266
Energy: 0.527987585512096
Energy: 0.5317060595891266
Energy: 0.523899405200965
Energy: 0.5704192907952188
Energy: 0.6714867163834338
Energy: 0.5704192907958822
Energy: 0.7140491916129816
Energy: 0.5235352295047672
Energy: 0.5244377979613065
Energy: 0.5235352295034403
Energy: 0.5259071824345998
Energy: 0.5893682014758723
Energy: 0.6677933300645698
Energy: 0.5893682014745456
Energy: 0.5115800704479825
Energy: 0.5420231780636643
Energy: 0.5279039463228017
Energy: 0.5420231780643275
Energy: 0.5142001727444659
Energy: 0.5705712006352667
Energy: 0.6569399333219018
Energy: 0.5705712006365935
Energy: 0.5097158796021234
Energy: 0.5228026514778622
Energy: 0.52607127810285
Energy: 0.5228026514778622
Energy: 0.5257099158632701
Energy: 0.7198256916347121
Energy: 0.833440020548181
Energy: 0.7198256916360388

minimum gb energy = 0.5074720111752357 eV
minimum distance =  2.30968897516912 Angstroms
sigma value = 85


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

Energy: 0.7269337095453636
Energy: 0.5133993354585946
Energy: 0.5643748405030683
Energy: 0.5133993354580193
Energy: 1.0193398226657315
Energy: 0.5048133963220848
Energy: 0.4772854056970259
Energy: 0.5048133963215095
Energy: 0.6983012724444162
Energy: 0.5091369502539346
Energy: 0.6788733901549918
Energy: 0.5091369502533593
Energy: 0.8493990532893765
Energy: 0.5012251609468833
Energy: 0.4773955737226053
Energy: 0.5012251609486092
Energy: 0.5421339491997832
Energy: 0.4828806277707687
Energy: 0.4944187690921299
Energy: 0.48288062777134405
Energy: 0.7651282584444118
Energy: 0.5084792701997977
Energy: 0.47730298912928193
Energy: 0.5084792702015235
Energy: 0.5166132279868827
Energy: 0.5155956816597875
Energy: 0.5327703671955005
Energy: 0.5155956816586368
Energy: 0.6687608633008482
Energy: 0.4997696929130578
Energy: 0.48338116217873106
Energy: 0.4997696929130578
Energy: 0.4827749255171929
Energy: 0.48743189891930094
Energy: 0.6333046413414752
Energy: 0.48743189891930094
Energy: 0.5799149060920781
Energy: 0.5107212814121981
Energy: 0.517090802632541
Energy: 0.5107212814121981
Energy: 0.4786241572429248
Energy: 0.5004900384926289
Energy: 0.7154854156097638
Energy: 0.5004900384926289
Energy: 0.4958988066985698
Energy: 0.5057924871947745
Energy: 0.5426705191435091
Energy: 0.50579248719535
Energy: 0.47681002703621217
Energy: 0.4865988425063686
Energy: 0.8432371350812896
Energy: 0.4865988425063686
Energy: 0.45881257343932996
Energy: 0.5092700286359453
Energy: 0.6987775519812897
Energy: 0.5092700286365206
Energy: 0.4786066837622351
Energy: 0.5004268991819307
Energy: 0.9332489475533071
Energy: 0.5004268991813554
Energy: 0.45430121739440116
Energy: 0.5035948847132348
Energy: 0.6699243000073669
Energy: 0.5035948847120841
Energy: 0.47685562740594467
Energy: 0.4878236315501772
Energy: 0.8855142479513727
Energy: 0.4878236315496019
Energy: 0.5923719225214963
Energy: 0.5093733032256682
Energy: 0.6987690614719317
Energy: 0.5093733032262434
Energy: 0.47806056513842354
Energy: 0.5012483673252014
Energy: 0.8489858815967779
Energy: 0.5012483673252014
Energy: 0.589360826587591
Energy: 0.6083103931629592
Energy: 0.5425577186150455
Energy: 0.6083103931618085
Energy: 0.4776570990421939
Energy: 0.49385857571342956
Energy: 0.7645026781005776
Energy: 0.4938585757128542
Energy: 0.626813084346027
Energy: 0.5859809795754365
Energy: 0.517058792436791
Energy: 0.5859809795748613
Energy: 0.4837362110543818
Energy: 0.4995134789698725
Energy: 0.6682451449302286
Energy: 0.4995134789681466
Energy: 0.6291100720196312
Energy: 0.5170665220850035
Energy: 0.4832837743285339
Energy: 0.517066522084428
Energy: 0.518522524266779
Energy: 0.5014266864315263
Energy: 0.5785170558397591
Energy: 0.5014266864315263
Energy: 0.7959670211224837
Energy: 0.50067381740182
Energy: 0.4788269749695826
Energy: 0.5006738174023954
Energy: 0.5438242795611
Energy: 0.49976459203961043
Energy: 0.4960812002345318
Energy: 0.4997645920407611
Energy: 0.7941936515109832
Energy: 0.5201505778216495
Energy: 0.47730805210005156
Energy: 0.5201505778222248
Energy: 0.7002997315120122
Energy: 0.5104060612991502
Energy: 0.45628895651457
Energy: 0.5104060612991502
Energy: 0.9269473317590735
Energy: 0.5010570369964871
Energy: 0.4783395158744488
Energy: 0.5010570369970625
Energy: 0.7287740034072029
Energy: 0.5077472864615973
Energy: 0.4543084350032229
Energy: 0.5077472864627479
Energy: 0.8654653352687106
Energy: 0.5149861088507082
Energy: 0.47731103396138275
Energy: 0.5149861088512835
Energy: 0.7004760797652334
Energy: 0.5104962198658821
Energy: 0.45642145001544315
Energy: 0.5104962198762379
Energy: 0.8489096300039695
Energy: 0.4993986438848814
Energy: 0.4788191849276162
Energy: 0.4993986438848814
Energy: 0.5439115559156141
Energy: 0.5002254964575273
Energy: 0.5901576948897155
Energy: 0.5002254964563767
Energy: 0.6794212040651041
Energy: 0.5237756175901813
Energy: 0.47912266603908327
Energy: 0.5237756175901813
Energy: 0.518551661116241
Energy: 0.5864421616657369
Energy: 0.6271283466138413
Energy: 0.5864421616663122
Energy: 0.6682001526845368
Energy: 0.49941675356249743
Energy: 0.48546679255119973
Energy: 0.49941675356249743
Energy: 0.48389361357417376
Energy: 0.49961960925276583
Energy: 0.628972372632569
Energy: 0.49961960925334126
Energy: 0.5016767908049257
Energy: 0.5313041426370021
Energy: 0.5192992544075619
Energy: 0.5313041426370021
Energy: 0.47658071280296005
Energy: 0.499595345481829
Energy: 0.7978055232252852
Energy: 0.4995953454812536
Energy: 0.4960474893556143
Energy: 0.4995081540941373
Energy: 0.5445687735612398
Energy: 0.4995081540947126
Energy: 0.478724770562192
Energy: 0.4995953174135199
Energy: 0.7946706174626832
Energy: 0.4995953174123693

minimum gb energy = 0.45430121739440116 eV
minimum distance =  2.32078674001573 Angstroms
sigma value = 113


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

Energy: 0.015443016283910588
Energy: 0.016037292360005225
Energy: 0.5909951738821394
Energy: 0.01603729235956294
Energy: 0.5907233226759412
Energy: 0.25678073452080974
Energy: 0.25616816137372583
Energy: 0.25678073451994976
Energy: 0.015443016283910588
Energy: 0.016037292360005225
Energy: 0.5909951738821394
Energy: 0.016037292360005225
Energy: 0.5907233226759412
Energy: 0.25678073451994976
Energy: 0.2561681613797704
Energy: 0.25678073452080974
Energy: 0.015443016283910588
Energy: 0.016037292360005225
Energy: 0.5909951738821394
Energy: 0.016037292360005225
Energy: 0.5907233226754989
Energy: 0.25678073451994976
Energy: 0.25616816137500353
Energy: 0.25678073452080974

minimum gb energy = 0.015443016283910588 eV
minimum distance =  2.54802786013692 Angstroms
sigma value = 1