Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000
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=3.540278409563987
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: 0.013651436094814395
Energy: 0.014128671591939477
Energy: 0.014673973468936714
Energy: 0.014128671591939477
Energy: 0.014128671591939477
Energy: 0.6119442600771935
Energy: 0.014128671591939477
Energy: 0.6119442600771935
Energy: 0.01467397346831123
Energy: 0.014128671591939477
Energy: 0.013651436094814395
Energy: 0.014128671591939477
Energy: 0.014128671591939477
Energy: 0.6119442600771935
Energy: 0.014128671591939477
Energy: 0.6119442600771935

minimum gb energy = 0.013651436094814395 eV
minimum distance =  2.43555219160141 Angstroms
sigma value = 1


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

Energy: 0.9267579801833848
Energy: 0.8778429123709298
Energy: 0.8774754132024805
Energy: 0.8778429123709298
Energy: 0.8487831126642692
Energy: 0.8897545972698877
Energy: 0.8498573927349731
Energy: 0.8897545972698877
Energy: 0.825760432612099
Energy: 0.8680573502592918
Energy: 0.8808572204110044
Energy: 0.8680573502592918
Energy: 0.8421572248297776
Energy: 0.9156101975537395
Energy: 0.8289587509660797
Energy: 0.9156101975537395
Energy: 0.8334909356070206
Energy: 0.878899596124073
Energy: 0.8232398800701888
Energy: 0.8788995961233145
Energy: 0.8131081972790815
Energy: 0.9809918544990189
Energy: 0.8119684889257159
Energy: 0.9809918544997774
Energy: 0.8523390548784743
Energy: 0.8686949143564069
Energy: 0.8145747891540694
Energy: 0.8686949143564069
Energy: 0.7807576534619376
Energy: 0.8791858424592832
Energy: 0.8001506967116031
Energy: 0.8791858424592832
Energy: 0.8282829184564569
Energy: 1.0251922024378575
Energy: 0.9345282727308771
Energy: 1.0251922024378575
Energy: 0.7992666737308974
Energy: 0.8678957319270852
Energy: 0.7774863755756356
Energy: 0.8678957319278437
Energy: 0.859532449428739
Energy: 0.8910667419071678
Energy: 0.8284158794087085
Energy: 0.8910667419079263
Energy: 0.8995499799708522
Energy: 0.8789982048843105
Energy: 0.8076383016482411
Energy: 0.878998204885069
Energy: 0.8482199046444516
Energy: 0.8673710071045662
Energy: 0.8520511836736695
Energy: 0.8673710071045662
Energy: 0.8388503238788214
Energy: 0.8730648862065937
Energy: 0.8179344460819694
Energy: 0.8730648862073522
Energy: 0.889541898297504
Energy: 0.8778338972144657
Energy: 0.8343425584325923
Energy: 0.8778338972144657
Energy: 0.841748895039687
Energy: 0.8778585932835573
Energy: 0.8483996267472974
Energy: 0.8778585932827988
Energy: 0.8808730173573016
Energy: 0.8680355703349809
Energy: 0.8082254427435651
Energy: 0.8680355703357395
Energy: 0.8498101898572721
Energy: 0.8640220706550439
Energy: 0.9545540279671306
Energy: 0.8640220706542854
Energy: 0.7770686312868745
Energy: 0.8787282256444978
Energy: 0.8067319586741463
Energy: 0.8787282256452564
Energy: 0.9412229959150579
Energy: 0.985759882229306
Energy: 0.8299136612785813
Energy: 0.985759882229306
Energy: 0.8025277376943988
Energy: 0.8678045731060986
Energy: 0.7827953898171423
Energy: 0.8678045731060986
Energy: 0.8287818050344455
Energy: 0.9668820785654532
Energy: 0.9187370957894725
Energy: 0.9668820785654532
Energy: 0.9071076166885429
Energy: 0.8793307668517031
Energy: 0.8064923825472129
Energy: 0.8793307668517031
Energy: 0.9004298492535455
Energy: 0.8677979202029046
Energy: 0.8138145621745115
Energy: 0.8677979202021461
Energy: 0.8146788696108703
Energy: 0.9781832269503805
Energy: 0.9240938028681527
Energy: 0.9781832269503805
Energy: 0.8355672956220659
Energy: 0.8788338613044179
Energy: 0.8169713695907358
Energy: 0.8788338613044179
Energy: 0.8456611438139054
Energy: 1.0172662290850643
Energy: 0.8282082343404051
Energy: 1.0172662290850643
Energy: 0.9134331457748472
Energy: 0.8673409460894114
Energy: 0.9149345947114523
Energy: 0.8673409460886528
Energy: 0.8479014176890635
Energy: 0.8909494468505231
Energy: 0.8479786822292966
Energy: 0.8909494468505231
Energy: 0.9272913863617646
Energy: 0.8780876068149891
Energy: 0.8944015502173182
Energy: 0.8780876068149891
Energy: 0.8516877878187458
Energy: 0.874288844519441
Energy: 0.8481470604709072
Energy: 0.8742888445186825
Energy: 0.8300208984183379
Energy: 0.8686202736799897
Energy: 0.8394915012062034
Energy: 0.8686202736799897
Energy: 0.8334584455708891
Energy: 0.9149773846009478
Energy: 0.82431187702467
Energy: 0.9149773846017064

minimum gb energy = 0.7770686312868745 eV
minimum distance =  2.27441569661281 Angstroms
sigma value = 1


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

Energy: 0.9856895099186259
Energy: 0.9348348535975792
Energy: 0.9250184625290808
Energy: 0.934834853598444
Energy: 0.8780850905526609
Energy: 0.915837047172955
Energy: 0.8823429977744519
Energy: 0.915837047172955
Energy: 0.8520881224943202
Energy: 0.9338447899715028
Energy: 0.8679444695465723
Energy: 0.9338447899715028
Energy: 0.8636216554858782
Energy: 0.8898362924226748
Energy: 0.8455029129661509
Energy: 0.8898362924244047
Energy: 0.8633198598309143
Energy: 0.9193292741791299
Energy: 0.9462273796447985
Energy: 0.9193292741782649
Energy: 0.9561105663611352
Energy: 0.9169624521867057
Energy: 0.9553579743850587
Energy: 0.9169624521875311
Energy: 0.9472834322205727
Energy: 1.0118215356918001
Energy: 0.8675623639476178
Energy: 1.0118215356900706
Energy: 0.8076363513503118
Energy: 0.9337054778731311
Energy: 0.8249926605211259
Energy: 0.9337054778705363
Energy: 0.857503117231804
Energy: 1.2212398847055213
Energy: 0.9968971435150626
Energy: 1.2212398847037913
Energy: 0.8396188523684945
Energy: 0.9339446516459974
Energy: 0.9255752570262792
Energy: 0.9339446516434026
Energy: 0.8842541981032557
Energy: 0.9013409960705686
Energy: 0.8848048011479245
Energy: 0.9013409960705686
Energy: 0.8332225139174422
Energy: 0.9249361806488542
Energy: 0.8677895705511978
Energy: 0.9249361806471242
Energy: 0.8778930856131578
Energy: 0.9178422926407517
Energy: 0.8733876400312258
Energy: 0.9178422926398868
Energy: 0.8778677454807802
Energy: 0.9178573940100936
Energy: 0.8733494420675145
Energy: 0.9178573940118234
Energy: 0.8333068908155887
Energy: 0.9249020699168113
Energy: 0.9228854678845829
Energy: 0.9249020699185412
Energy: 0.8847004121431026
Energy: 0.901334599455834
Energy: 0.8671486049291183
Energy: 0.901334599455834
Energy: 0.8396556674934063
Energy: 0.9340304646274886
Energy: 0.808759229573954
Energy: 0.9340304646292183
Energy: 0.8575420640066159
Energy: 1.221625251765589
Energy: 0.9968501411788699
Energy: 1.221625251765589
Energy: 0.8076355766102836
Energy: 0.9339735136276343
Energy: 0.8246905679059111
Energy: 0.9339735136276343
Energy: 0.9460270699182856
Energy: 1.01210724086124
Energy: 0.8452816317506533
Energy: 1.01210724086124
Energy: 0.95603004594257
Energy: 0.9169497168633045
Energy: 0.8415652052748163
Energy: 0.9169497168607097
Energy: 0.8633335996807169
Energy: 0.9194480110026709
Energy: 0.8734083413482168
Energy: 0.919448011001806
Energy: 0.8632384907854276
Energy: 0.8896925961453181
Energy: 0.8660351504328534
Energy: 0.8896925961453181
Energy: 0.8520322428428435
Energy: 0.9339173805769345
Energy: 0.9224356288122771
Energy: 0.9339173805777994
Energy: 0.8781523887334739
Energy: 0.916069201995271
Energy: 0.8822578434778517
Energy: 0.916069201995271
Energy: 0.9856895099186259
Energy: 0.9348348535975792
Energy: 0.9250184625290808
Energy: 0.934834853598444
Energy: 0.8780850905517961
Energy: 0.915837047172955
Energy: 0.882342997773587
Energy: 0.91583704717209
Energy: 0.8520881224934552
Energy: 0.9338447899723676
Energy: 0.8679444695465723
Energy: 0.9338447899715028
Energy: 0.8636216554867431
Energy: 0.8898362924218098
Energy: 0.8455029129661509
Energy: 0.8898362924226748

minimum gb energy = 0.8076355766102836 eV
minimum distance =  2.25468533269145 Angstroms
sigma value = 25


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

Energy: 0.9077609810327145
Energy: 0.9729520186211151
Energy: 0.9933450018964409
Energy: 0.9729520186211151
Energy: 0.9243654385209243
Energy: 0.9720048917712708
Energy: 0.8985688985663174
Energy: 0.9720048917712708
Energy: 0.8916654155484158
Energy: 0.9985822910385072
Energy: 0.8874591663164305
Energy: 0.9985822910385072
Energy: 0.9042510650461538
Energy: 0.956145860837761
Energy: 0.8734139225564789
Energy: 0.956145860837761
Energy: 0.8745595945819905
Energy: 0.9855746996281687
Energy: 0.9903790747359114
Energy: 0.9855746996281687
Energy: 1.0128339960603823
Energy: 0.997253119055902
Energy: 1.016344931891544
Energy: 0.997253119055902
Energy: 0.9231770931479825
Energy: 0.904430647220005
Energy: 0.8932189716131012
Energy: 0.9044306472189997
Energy: 1.1178344869991128
Energy: 0.9761560164367953
Energy: 0.8484573371142898
Energy: 0.9761560164367953
Energy: 0.8930602322555277
Energy: 0.9472678755140663
Energy: 0.9224128325718012
Energy: 0.9472678755140663
Energy: 0.8892122063156873
Energy: 0.9983039565985146
Energy: 0.8700277801359585
Energy: 0.998303956597509
Energy: 0.914985633957516
Energy: 0.9723752815472753
Energy: 0.896732537806618
Energy: 0.9723752815472753
Energy: 0.8986043095484728
Energy: 0.9733046070073342
Energy: 0.8967629593985018
Energy: 0.9733046070073342
Energy: 0.8876775006657942
Energy: 0.9579400578058364
Energy: 0.8685267916309107
Energy: 0.9579400578058364
Energy: 0.8927047747060178
Energy: 0.8873585642435731
Energy: 0.9249808275487023
Energy: 0.8873585642536274
Energy: 0.8640443684050222
Energy: 0.9734205388538486
Energy: 0.8466307271684766
Energy: 0.9734205388538486
Energy: 0.9236492763411985
Energy: 0.9035378426068771
Energy: 0.8761833948082436
Energy: 0.9035378426058717
Energy: 0.8373076257677734
Energy: 0.9986671985079751
Energy: 0.8370475529260802
Energy: 0.9986671985079751
Energy: 0.8738436439313032
Energy: 0.9869306745171139
Energy: 0.9252796680960255
Energy: 0.9869306745171139
Energy: 0.8638236073552313
Energy: 0.9562319061228026
Energy: 0.8745091468752414
Energy: 0.9562319061228026
Energy: 0.925649759906731
Energy: 0.997278647777081
Energy: 0.904885642704894
Energy: 0.997278647777081
Energy: 0.9016048605090067
Energy: 0.9434753088649181
Energy: 0.8967636486523043
Energy: 0.9434753088649181
Energy: 0.9091176796587868
Energy: 0.97396819809065
Energy: 1.015974604318411
Energy: 0.97396819809065
Energy: 0.9225506290362605
Energy: 0.9547485532264334
Energy: 0.8976371144717767
Energy: 0.9547485532264334
Energy: 1.036252312862455
Energy: 1.0015040678646718
Energy: 0.8890153525863024
Energy: 1.0015040678646718
Energy: 1.0485739796053621
Energy: 0.9504454138300918
Energy: 0.8745427588022986
Energy: 0.9504454138300918

minimum gb energy = 0.8370475529260802 eV
minimum distance =  2.26050741695844 Angstroms
sigma value = 9


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

Energy: 0.9454310878825551
Energy: 0.9451175555139885
Energy: 1.0278440302446663
Energy: 0.9451175555151878
Energy: 0.9150836431941765
Energy: 0.9939411324795848
Energy: 0.9275683007047781
Energy: 0.9939411324795848
Energy: 0.9236050642538011
Energy: 0.9577536475580475
Energy: 0.9131402630094689
Energy: 0.9577536475580475
Energy: 1.093757629068658
Energy: 1.0318895138286852
Energy: 0.8845547676865323
Energy: 1.0318895138286852
Energy: 1.0740490177973616
Energy: 0.9982163899548456
Energy: 1.0510828703859543
Energy: 0.9982163899548456
Energy: 0.8587546757056874
Energy: 0.9611048483695367
Energy: 1.1315303861241326
Energy: 0.9611048483695367
Energy: 0.9267113840872293
Energy: 0.9797484885250581
Energy: 0.8855312515786555
Energy: 0.9797484885250581
Energy: 1.027082891600256
Energy: 0.9611301715185343
Energy: 0.8761663764006286
Energy: 0.9611301715173349
Energy: 0.9272107525567488
Energy: 0.998649040417311
Energy: 0.9710244837614389
Energy: 0.9986490404161115
Energy: 0.9451463182002147
Energy: 0.960686022447883
Energy: 0.9386889162466185
Energy: 0.960686022447883
Energy: 0.8930412824802245
Energy: 1.0143297068769388
Energy: 0.9005453725188959
Energy: 1.0143297068769388
Energy: 0.9447978204901829
Energy: 1.0556225371728458
Energy: 0.8848717708173064
Energy: 1.0556225371704469
Energy: 0.8585034467035425
Energy: 0.945124611651787
Energy: 0.8588592328185274
Energy: 0.9451246116505875
Energy: 0.9274671636170987
Energy: 0.9367092650058105
Energy: 0.927203716994956
Energy: 0.9367092650058105
Energy: 0.8585163041206747
Energy: 0.9445224019578309
Energy: 1.0273869147662589
Energy: 0.9445224019566314
Energy: 0.9449023016428822
Energy: 1.0556844119187325
Energy: 0.8848208288874798
Energy: 1.0556844119187325
Energy: 0.8930630445346373
Energy: 1.0141481302305964
Energy: 0.9134497081228568
Energy: 1.0141481302305964
Energy: 0.9452549296960189
Energy: 0.9605845954113211
Energy: 0.9387646300553721
Energy: 0.9605845954113211
Energy: 0.9272246984738867
Energy: 0.9986360694513595
Energy: 0.9031174267849736
Energy: 0.9986360694513595
Energy: 1.0271143278693453
Energy: 0.9612138891620204
Energy: 0.8760690368242643
Energy: 0.9612138891620204
Energy: 0.9266795908237593
Energy: 0.9797049913215917
Energy: 0.8855697487499293
Energy: 0.9797049913227912

minimum gb energy = 0.8585034467035425 eV
minimum distance =  2.26413967763712 Angstroms
sigma value = 25


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

Energy: 0.8896247969957957
Energy: 1.0557503718723653
Energy: 1.0757470372499645
Energy: 1.0557503718723653
Energy: 0.8752276379755891
Energy: 1.0156503845957814
Energy: 0.8644869950544651
Energy: 1.0156503845972644
Energy: 0.8648739004480456
Energy: 1.0564446772868947
Energy: 0.8641090845245291
Energy: 1.0564446772868947
Energy: 0.8890690698357059
Energy: 1.0390442232966581
Energy: 1.0858923484577605
Energy: 1.0390442232966581
Energy: 1.0850775685155662
Energy: 0.9446639926673359
Energy: 0.8998523600601648
Energy: 0.9446639926688192
Energy: 0.8677253618149516
Energy: 1.0571043734093426
Energy: 1.1940397565742178
Energy: 1.0571043734093426
Energy: 0.9446464809193272
Energy: 0.9509709449740846
Energy: 0.8641144167697046
Energy: 0.9509709449755679
Energy: 0.876834598161837
Energy: 1.0572820027797953
Energy: 0.8880359279219322
Energy: 1.0572820027797953
Energy: 0.864449894706182
Energy: 0.9495144593414054
Energy: 0.8765849467592046
Energy: 0.9495144593399221
Energy: 1.113110448285019
Energy: 1.0568855288992534
Energy: 0.8657867837450413
Energy: 1.0568855288992534
Energy: 0.8642466173904716
Energy: 1.038942990991163
Energy: 1.2905302179642784
Energy: 1.0389429909926464
Energy: 0.8659244137129143
Energy: 0.9574784234877362
Energy: 1.1153933626753632
Energy: 0.9574784234877362
Energy: 1.074814800380003
Energy: 1.057861374705959
Energy: 0.8639800005232432
Energy: 1.057861374705959
Energy: 0.8640610306204108
Energy: 1.0379854022253674
Energy: 0.888989313372135
Energy: 1.0379854022253674
Energy: 0.94318311598847
Energy: 1.0543364387824314
Energy: 0.8768660373857097
Energy: 1.0543364387824314
Energy: 0.8747211650819413
Energy: 1.0577180519916178
Energy: 0.867648562960673
Energy: 1.0577180519916178
Energy: 0.8639199100262738
Energy: 0.9466742383363631
Energy: 1.1138931242734051
Energy: 0.9466742383363631

minimum gb energy = 0.8639199100262738 eV
minimum distance =  2.33992628264649 Angstroms
sigma value = 17


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

Energy: 0.9569437883704914
Energy: 0.9565590108239305
Energy: 1.2268692048550267
Energy: 0.9565590108239305
Energy: 0.9702262344007023
Energy: 0.9696643778487206
Energy: 0.8722047143572771
Energy: 0.9696643778487206
Energy: 0.9658391805887939
Energy: 0.9518572387036874
Energy: 0.8724325668259278
Energy: 0.9518572387028473
Energy: 0.8734573769182434
Energy: 1.0785187795421802
Energy: 0.9712598537143273
Energy: 1.0785187795413402
Energy: 0.9840595427370714
Energy: 0.9718402605635629
Energy: 0.9170742147375699
Energy: 0.9718402605635629
Energy: 0.8825269924755157
Energy: 0.9740520642667817
Energy: 1.2233501409343004
Energy: 0.9740520642667817
Energy: 0.874147732491503
Energy: 0.9717633729174722
Energy: 0.9279554280212764
Energy: 0.9717633729183123
Energy: 0.9663821122725526
Energy: 0.9738764034315629
Energy: 0.8809319020111889
Energy: 0.9738764034324029
Energy: 0.884162168183473
Energy: 1.0029629611946178
Energy: 1.1157203812875678
Energy: 1.0029629611946178
Energy: 1.1397069164627753
Energy: 0.9358158520531301
Energy: 0.8731584307059292
Energy: 0.9358158520514498
Energy: 0.8761189475380743
Energy: 0.958650084088074
Energy: 1.216529214524929
Energy: 0.958650084088074
Energy: 0.9347617299883163
Energy: 0.9694866385797888
Energy: 0.9334798163934255
Energy: 0.9694866385789868
Energy: 1.1621812715844626
Energy: 0.9592564829091687
Energy: 0.9617129177947658
Energy: 0.9592564829074886
Energy: 0.872178397022455
Energy: 1.013400017848436
Energy: 0.9725806954400837
Energy: 1.0134000178475957
Energy: 0.9471860007251856
Energy: 1.0077545802393733
Energy: 0.9339948360574363
Energy: 1.0077545802393733
Energy: 0.9672479956772928
Energy: 0.9573330926606771
Energy: 0.9670957976246163
Energy: 0.957333092659837
Energy: 0.9272851594662589
Energy: 1.0026113163211312
Energy: 1.1153921366250545
Energy: 1.0026113163211312
Energy: 1.0798327952528788
Energy: 0.9544196905590983
Energy: 0.8823740265415709
Energy: 0.9544196905607784
Energy: 0.9249413859832745
Energy: 1.0054398646271727
Energy: 0.940627119420631
Energy: 1.005439864628013
Energy: 0.97025391050751
Energy: 1.0787747031439476
Energy: 0.8751137837428492
Energy: 1.0787747031439476
Energy: 0.9182375588079953
Energy: 0.9525507611500709
Energy: 0.9657182099321859
Energy: 0.9525507611492308
Energy: 0.9283546226199049
Energy: 1.0297115408902469
Energy: 0.9922277116240701
Energy: 1.0297115408902469
Energy: 1.1065300577799664
Energy: 0.9568855884826886
Energy: 0.8714801528657756
Energy: 0.9568855884835287
Energy: 0.9370085637205294
Energy: 1.0059033009418814
Energy: 0.9670529752401571
Energy: 1.0059033009418814
Energy: 0.9715409716503948
Energy: 0.9538679509584027
Energy: 0.965325774216154
Energy: 0.9538679509584027
Energy: 1.1491594657462365
Energy: 0.9565863577299597
Energy: 0.8727270208266692
Energy: 0.95658635773416
Energy: 0.9306067711377514
Energy: 1.0944754532836098
Energy: 1.1571701908904939
Energy: 1.0944754532844498
Energy: 0.9693425367154361
Energy: 0.973348509164423
Energy: 0.9674850171402656
Energy: 0.973348509164423
Energy: 1.0557839876092376
Energy: 0.9566016047236393
Energy: 0.8745607485754224
Energy: 0.9566016047479634
Energy: 0.8809095056943927
Energy: 1.0033080660441216
Energy: 1.042127376488233
Energy: 1.0033080660449616

minimum gb energy = 0.8714801528657756 eV
minimum distance =  2.24483000335511 Angstroms
sigma value = 53


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

Energy: 0.7999967372567239
Energy: 0.7992602789126625
Energy: 1.1867897480867662
Energy: 0.7992602789126625
Energy: 1.1071005391943063
Energy: 0.9219741525252422
Energy: 0.8176963439529201
Energy: 0.9219741525233083
Energy: 0.8164921325213009
Energy: 0.7995126791004767
Energy: 1.07748011321051
Energy: 0.7995126791004767
Energy: 0.8163621838372701
Energy: 0.7992544390997388
Energy: 0.9262225317477807
Energy: 0.7992544390978049
Energy: 1.1065182807190728
Energy: 0.9221098473942364
Energy: 0.8001984595709976
Energy: 0.9221098473942364
Energy: 0.7999967372567239
Energy: 0.7992602789126625
Energy: 1.2447972572852166
Energy: 0.7992602789126625
Energy: 1.1071005391943063
Energy: 0.9219741525252422
Energy: 0.9259334285589269
Energy: 0.9219741525252422
Energy: 0.8164921325213009
Energy: 0.7995126791024108
Energy: 1.07748011321051
Energy: 0.7995126791024108
Energy: 0.8163621838372701
Energy: 0.7992544390997388
Energy: 0.9814283196022662
Energy: 0.7992544390997388
Energy: 1.1065182807171388
Energy: 0.9221098473942364
Energy: 0.9125560406941295
Energy: 0.9221098473923023
Energy: 0.7999967372567239
Energy: 0.7992602789126625
Energy: 1.2447972572852166
Energy: 0.7992602789126625
Energy: 1.1071005391943063
Energy: 0.9219741525252422
Energy: 1.0777228486980446
Energy: 0.9219741525252422
Energy: 0.8164921325213009
Energy: 0.7995126791024108
Energy: 1.07748011321051
Energy: 0.7995126791024108

minimum gb energy = 0.7992544390978049 eV
minimum distance =  2.31744263259092 Angstroms
sigma value = 9


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

Energy: 0.9412064323750302
Energy: 1.0572320641460595
Energy: 1.324653051127469
Energy: 1.0572320641460595
Energy: 1.093678887123833
Energy: 0.9741769257799591
Energy: 0.9273654581039505
Energy: 0.9741769257792433
Energy: 0.90166455540756
Energy: 0.886821036184305
Energy: 0.8907791022813961
Energy: 0.8868210361835892
Energy: 1.05322607418384
Energy: 1.0915886694659112
Energy: 0.9048452419302973
Energy: 1.0915886694666272
Energy: 1.1142479989596668
Energy: 0.9489251376975297
Energy: 0.910925061371837
Energy: 0.9489251376975297
Energy: 0.9309434358299005
Energy: 0.9306031446324146
Energy: 1.262047244668119
Energy: 0.9306031446331302
Energy: 1.2427917512559052
Energy: 0.9376527128392016
Energy: 0.9306511622542912
Energy: 0.9376527128392016
Energy: 0.9067632783665356
Energy: 1.1082461822465843
Energy: 1.031807079855049
Energy: 1.1082461822465843
Energy: 0.9110403697287129
Energy: 1.0991244412089776
Energy: 0.9428340890995467
Energy: 1.0991244412096934
Energy: 0.9402633928015394
Energy: 0.9524801162663885
Energy: 0.9534248789841615
Energy: 0.9524801162663885
Energy: 0.9066592274911491
Energy: 1.0627947816396737
Energy: 1.2262755105716319
Energy: 1.062794781641821
Energy: 1.1273111786029666
Energy: 1.0212848127422467
Energy: 0.9296514813008611
Energy: 1.0212848127429626
Energy: 0.9014972467624102
Energy: 0.9768040522410639
Energy: 1.125119754493245
Energy: 0.9768040522389165
Energy: 1.200447222741759
Energy: 1.1278921910040174
Energy: 0.9026114664184497
Energy: 1.1278921910040174
Energy: 0.9087847958767881
Energy: 0.9899542452078387
Energy: 1.0631461764142804
Energy: 0.9899542452085546
Energy: 0.903766337884089
Energy: 1.0955033732882389
Energy: 1.0198577918856417
Energy: 1.095503373287523
Energy: 0.9936769592415692
Energy: 1.0610200555168898
Energy: 0.9106002160968026
Energy: 1.0610200555168898
Energy: 0.9095499901963494
Energy: 0.9377517640379037
Energy: 1.2126477408381033
Energy: 0.9377517640386195
Energy: 1.0791584765119269
Energy: 1.0251610792102097
Energy: 0.933058709829277
Energy: 1.0251610792094938
Energy: 0.9048810607912856
Energy: 0.9540016338078912
Energy: 1.0437162090494712
Energy: 0.954001633808607
Energy: 1.0165725332760942
Energy: 1.095979735592268
Energy: 1.0191875106497628
Energy: 1.0959797355908365
Energy: 1.003368100752739
Energy: 0.8941598704206888
Energy: 0.9027235031441152
Energy: 0.8941598704199729
Energy: 0.9371849130194887
Energy: 0.9830496701698188
Energy: 0.9592767283117579
Energy: 0.983049670169103
Energy: 1.266314870652123
Energy: 1.0225079506687766
Energy: 0.9041376615336035
Energy: 1.022507950667345
Energy: 0.9065763472722448
Energy: 1.144872187660363
Energy: 1.1883735124374148
Energy: 1.1448721876610786
Energy: 0.9500377401810449
Energy: 0.887307901808016
Energy: 0.8989476537388049
Energy: 0.8873079018087318
Energy: 1.0435951212599563
Energy: 1.0799754041534753
Energy: 1.053259659939745
Energy: 1.0799754041527594
Energy: 0.9535348740954244
Energy: 1.055948405674768
Energy: 1.0545200166930127
Energy: 1.055948405674768
Energy: 0.9665097836913134
Energy: 0.8868149291690693
Energy: 0.8982763797557106
Energy: 0.8868149291697852
Energy: 0.906007396508234
Energy: 1.0364537375014777
Energy: 1.2037499301901364
Energy: 1.0364537375000462
Energy: 1.1343381111709219
Energy: 1.072078002932048
Energy: 0.9035144142158842
Energy: 1.0720780029313322
Energy: 0.9493029777000893
Energy: 0.9787374778746326
Energy: 1.019030410176644
Energy: 0.9787374778746326
Energy: 0.9319670379983034
Energy: 1.0309169533898734
Energy: 0.9017167395497707
Energy: 1.0309169533898734
Energy: 1.0212518158845512
Energy: 1.098104839627641
Energy: 1.0150706388793664
Energy: 1.098104839627641
Energy: 0.9134778430946217
Energy: 1.1379432762803134
Energy: 1.1811133395636426
Energy: 1.137943276281029

minimum gb energy = 0.8868149291690693 eV
minimum distance =  2.2213164997071 Angstroms
sigma value = 73


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

Energy: 0.9673454958801886
Energy: 0.9658534361166298
Energy: 1.3162549059468418
Energy: 0.9658534361166298
Energy: 0.9928534704660158
Energy: 0.978115787753641
Energy: 0.9315597299996115
Energy: 0.978115787753641
Energy: 0.9191507020513942
Energy: 1.0740578556530576
Energy: 0.8984608194060664
Energy: 1.0740578556530576
Energy: 0.9168891741061684
Energy: 1.0384313851486444
Energy: 0.9230372027513731
Energy: 1.0384313851475089
Energy: 0.9907149352494061
Energy: 0.979070612721459
Energy: 0.9281584645571931
Energy: 0.979070612721459
Energy: 0.924860582612506
Energy: 1.0725549907268854
Energy: 1.1430769183444351
Energy: 1.072554990728021
Energy: 1.2100350244597913
Energy: 1.05329954900775
Energy: 0.9221295382740562
Energy: 1.05329954900775
Energy: 0.9127033365389944
Energy: 0.8899941027333343
Energy: 1.1206198107255068
Energy: 0.8899941027321986
Energy: 1.2125510581552472
Energy: 0.8907060944902547
Energy: 0.8897635937519659
Energy: 0.890706094489119
Energy: 0.9199929389590354
Energy: 0.9842262121446901
Energy: 0.9192140447773928
Energy: 0.9842262121458257
Energy: 0.9111362308518652
Energy: 0.8905998191818895
Energy: 1.1366179674880172
Energy: 0.8905998191818895
Energy: 1.0530239156959784
Energy: 1.0519971520518703
Energy: 0.9170985069929212
Energy: 1.0519971520518703
Energy: 0.9209535507320152
Energy: 0.9630016639802093
Energy: 1.193149279257716
Energy: 0.9630016639790736
Energy: 1.152641236540803
Energy: 1.029220519905121
Energy: 0.9238305688521842
Energy: 1.029220519905121
Energy: 0.9166917639156447
Energy: 1.0584779501317494
Energy: 1.1230121232949415
Energy: 1.0584779501317494
Energy: 1.1126985434728078
Energy: 0.8908093048765259
Energy: 0.913026955323678
Energy: 0.8908093048776616
Energy: 0.983675767921294
Energy: 0.9704401797954582
Energy: 0.9419080416934876
Energy: 0.9704401797954582
Energy: 0.965283609417545
Energy: 1.037712646452845
Energy: 0.9193868823307484
Energy: 1.037712646452845
Energy: 1.0499724963940065
Energy: 0.889955556352398
Energy: 0.9110811947366458
Energy: 0.8899555563512623
Energy: 0.9196448095123853
Energy: 1.0041257177321874
Energy: 1.1754193066546612
Energy: 1.0041257177378657
Energy: 1.1775864971535637
Energy: 0.9085814952956057
Energy: 0.9243341963043036
Energy: 0.9085814952956057
Energy: 0.948050662770075
Energy: 0.9922029788185969
Energy: 1.0396908890257852
Energy: 0.9922029788185969

minimum gb energy = 0.8897635937519659 eV
minimum distance =  2.27705688464288 Angstroms
sigma value = 7


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

Energy: 0.9159043661792826
Energy: 0.9151061897939353
Energy: 1.3256777463354052
Energy: 0.9151061897955415
Energy: 1.2161001671494176
Energy: 0.9941985558083789
Energy: 0.9281467828173772
Energy: 0.9941985558059697
Energy: 0.9139419619208038
Energy: 1.0603764924410322
Energy: 0.947466274730159
Energy: 1.0603764924434413
Energy: 0.984616587947066
Energy: 0.9784224659459895
Energy: 0.9438530116576824
Energy: 0.9784224659459895
Energy: 0.9261138089937289
Energy: 0.969719449006836
Energy: 0.9536153240528732
Energy: 0.9697194490060331
Energy: 0.9168256403732004
Energy: 0.9157796252961143
Energy: 1.1674668720312793
Energy: 0.9157796252953112
Energy: 1.0617115796719414
Energy: 1.0825091302143768
Energy: 0.9584505891340543
Energy: 1.0825091302135736
Energy: 0.9170667119536108
Energy: 0.9180684204094445
Energy: 1.2160758883674998
Energy: 0.9180684204078385
Energy: 1.1292433177250443
Energy: 0.9698203541810063
Energy: 0.9362589194993997
Energy: 0.9698203541802033
Energy: 0.923371281888556
Energy: 1.0095251628502713
Energy: 1.016582534175181
Energy: 1.0095251628502713
Energy: 0.9534046190656827
Energy: 1.06227847998138
Energy: 0.979601459978414
Energy: 1.0622784799821832
Energy: 0.917315554013137
Energy: 0.9700906301265708
Energy: 0.9790262348469858
Energy: 0.9700906301265708
Energy: 0.9153020707788858
Energy: 0.9160910988791919
Energy: 0.9818388094376774
Energy: 0.9160910988775858
Energy: 0.9484096410881689
Energy: 0.9120510321154448
Energy: 0.9789859160744157
Energy: 0.912051032117051
Energy: 0.9220996363218188
Energy: 1.0892095752950082
Energy: 1.0549440592379913
Energy: 1.0892095752958113
Energy: 1.3321841703908004
Energy: 0.911438607523952
Energy: 0.9200313101242591
Energy: 0.9114386075255582
Energy: 0.9382052723912814
Energy: 0.9878290894398951
Energy: 1.1829558344154711
Energy: 0.9878290894382891
Energy: 0.9141650881285047
Energy: 1.0947925311996882
Energy: 0.9590638347821105
Energy: 1.0947925311996882
Energy: 0.9373598821818049
Energy: 1.0616802345966394
Energy: 0.958855500863954
Energy: 1.06168023459423
Energy: 0.9234547151576799
Energy: 0.9694107217178106
Energy: 0.9783731708876264
Energy: 0.9694107217194168
Energy: 0.958637855869179
Energy: 1.0638555385662387
Energy: 0.9226459112682036
Energy: 1.0638555385662387
Energy: 0.9239933319162741
Energy: 1.064906898786518
Energy: 1.0536067103652196
Energy: 1.0649068987841086
Energy: 1.163337247638731
Energy: 1.0213078318146611
Energy: 0.9490250817353462
Energy: 1.0213078318146611
Energy: 0.9197427096638311
Energy: 0.9167866029025157
Energy: 1.1798333770848894
Energy: 0.9167866029025157
Energy: 0.9625853599827234
Energy: 0.9701445999795986
Energy: 0.923786355199365
Energy: 0.9701445999779924
Energy: 0.9844858968685664
Energy: 1.0620589666630433
Energy: 0.9487737074548924
Energy: 1.0620589666622402
Energy: 0.9264545176633265
Energy: 1.0099825734880528
Energy: 0.9235366422594476
Energy: 1.009982573488856
Energy: 1.0076081222901847
Energy: 0.9869918932050611
Energy: 0.9438650410179771
Energy: 0.9869918932050611
Energy: 0.9129619255927867
Energy: 0.9161400485890931
Energy: 1.0725254346424749
Energy: 0.9161400485915023
Energy: 1.1658212322905497
Energy: 0.9379046102756147
Energy: 0.9278727069148641
Energy: 0.9379046102740086
Energy: 0.9129735908533466
Energy: 0.9159903903424531
Energy: 1.194334514436637
Energy: 0.9159903903408468

minimum gb energy = 0.911438607523952 eV
minimum distance =  2.26606452955353 Angstroms
sigma value = 29


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

Energy: 0.8683638472208824
Energy: 0.8625399170173278
Energy: 1.0296257634947494
Energy: 0.8625399170176075
Energy: 0.838166952788819
Energy: 0.8380138973898905
Energy: 0.8663295850244875
Energy: 0.8380138973896107
Energy: 0.919131966601473
Energy: 0.9130869606723924
Energy: 1.0293316298539685
Energy: 0.9130869606729517
Energy: 0.8665079891662736
Energy: 0.8968099073659141
Energy: 0.8380292867435232
Energy: 0.8968099073659141
Energy: 0.8688418377656616
Energy: 0.8973403952637282
Energy: 1.1124455421196746
Energy: 0.8973403952642877
Energy: 0.861542505426913
Energy: 0.9145085073018445
Energy: 0.8617279618259751
Energy: 0.9145085073018445
Energy: 0.8389562333351535
Energy: 0.8973003648130004
Energy: 0.8688102586934016
Energy: 0.8973003648130004
Energy: 0.8382080600624713
Energy: 0.8969294757211662
Energy: 0.8665640175494186
Energy: 0.8969294757222539
Energy: 1.0292472269196697
Energy: 0.9133697515151177
Energy: 1.1124188987200603
Energy: 0.9133697515145892

minimum gb energy = 0.8380138973896107 eV
minimum distance =  2.30664976614285 Angstroms
sigma value = 5


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

Energy: 0.8772503278978695
Energy: 0.8862888610729629
Energy: 1.148245578286964
Energy: 0.8862888610729629
Energy: 0.9959842335425866
Energy: 0.8657119373150044
Energy: 0.8822971719749633
Energy: 0.8657119373142459
Energy: 0.8626115949672734
Energy: 0.88331186731435
Energy: 1.0194071654079313
Energy: 0.8833118673135915
Energy: 0.872330924461809
Energy: 0.9300613095853592
Energy: 0.8649046841861515
Energy: 0.9300613095846006
Energy: 0.8683877132556427
Energy: 0.933639585432844
Energy: 0.9971166411889589
Energy: 0.933639585432844
Energy: 0.9378077913255619
Energy: 0.8883883344275575
Energy: 0.856596132479594
Energy: 0.8883883344275575
Energy: 0.8633708378753944
Energy: 0.930707793050479
Energy: 0.8583193415401592
Energy: 0.930707793050479
Energy: 0.860607225602985
Energy: 0.9286695677698126
Energy: 0.8652118623796823
Energy: 0.9286695677705711
Energy: 0.8671415842512459
Energy: 0.9313603776949193
Energy: 0.8641133706302234
Energy: 0.9313603776949193
Energy: 0.8658040206011479
Energy: 0.93132899772344
Energy: 0.861743087438916
Energy: 0.9313289977226814
Energy: 0.9228122881935563
Energy: 0.9305940956731795
Energy: 0.8639682163526868
Energy: 0.930594095672421
Energy: 0.883090031285299
Energy: 0.8743132134401426
Energy: 0.8867692772190676
Energy: 0.8743132134522452
Energy: 0.9602181572954231
Energy: 0.8873333591992517
Energy: 0.8827044158584617
Energy: 0.8873333592000102
Energy: 0.8737626616564951
Energy: 0.8867754720163139
Energy: 0.889396301385325
Energy: 0.8867754720170724
Energy: 1.0061288841442997
Energy: 0.859556465275848
Energy: 0.8642414960815687
Energy: 0.8595564652766066
Energy: 0.8637459170763556
Energy: 0.8836790647830864
Energy: 0.8883455925303724
Energy: 0.8836790647830864
Energy: 0.9970321069197895
Energy: 0.8756148235795532
Energy: 0.8897574857965268
Energy: 0.8756148235795532
Energy: 0.8666507288287632
Energy: 0.8868570552835523
Energy: 0.9800517521378258
Energy: 0.8868570552827938
Energy: 0.8808853278747086
Energy: 0.9330532881446109
Energy: 0.8586879109928696
Energy: 0.9330532881446109
Energy: 0.8628982019190327
Energy: 0.9821965725544695
Energy: 0.8717352201705544
Energy: 0.9821965725544695
Energy: 0.8726287141971755
Energy: 0.9273376736914988
Energy: 0.8623514755582776
Energy: 0.9273376736922573
Energy: 0.8909148426813542
Energy: 0.9311148496751614
Energy: 0.8593066778108315
Energy: 0.9311148496751614
Energy: 0.8837135431540986
Energy: 0.927614893470849
Energy: 0.8620331492819536
Energy: 0.927614893470849
Energy: 0.8859826271671677
Energy: 0.9244796571054342
Energy: 0.8634829405063422
Energy: 0.9244796571054342
Energy: 0.8929585797747153
Energy: 0.879857673180346
Energy: 0.8668778606997154
Energy: 0.879857673180346
Energy: 0.876293685929275
Energy: 0.8865932519152879
Energy: 0.8683018849368562
Energy: 0.8865932519152879
Energy: 0.8644679545496735
Energy: 0.857191083269835
Energy: 0.9223516885529682
Energy: 0.8571910832705936
Energy: 0.9055663002870092
Energy: 0.8617592782626569
Energy: 0.8636577741286643
Energy: 0.8617592782626569
Energy: 0.8762050465629557
Energy: 0.8658690658717224
Energy: 1.1309294217263797
Energy: 0.8658690658717224
Energy: 0.9613232184931666
Energy: 0.8865471210468545
Energy: 0.8666520216925157
Energy: 0.8865471210468545
Energy: 0.8626434885112472
Energy: 0.8719900457045043
Energy: 0.9624124503796335
Energy: 0.8719900457037458
Energy: 1.0013898296637829
Energy: 0.933382668253286
Energy: 0.8766160876930637
Energy: 0.933382668253286
Energy: 0.8656367250995829
Energy: 0.9299688468356194
Energy: 0.9952506987732531
Energy: 0.9299688468356194

minimum gb energy = 0.856596132479594 eV
minimum distance =  2.27520017172744 Angstroms
sigma value = 1


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

Energy: 0.9469363348608761
Energy: 0.8549063145555994
Energy: 1.1066264120806588
Energy: 0.8549063145555994
Energy: 0.9166066328796737
Energy: 0.820331730624124
Energy: 0.8375208438209515
Energy: 0.820331730624124
Energy: 0.8334158000530129
Energy: 0.8540649410403671
Energy: 0.955109351729439
Energy: 0.8540649410414161
Energy: 0.849064780523742
Energy: 0.9115878323937611
Energy: 0.8406111488961893
Energy: 0.9115878323937611
Energy: 0.8308978457400423
Energy: 0.8482519968735985
Energy: 1.013058871915335
Energy: 0.8482519968746474
Energy: 0.8247712680911996
Energy: 0.9108914775191104
Energy: 0.8407165529093181
Energy: 0.9108914775191104
Energy: 0.8316141197132588
Energy: 0.9384689619771727
Energy: 0.8976081828740837
Energy: 0.9384689619761236
Energy: 0.8314360661448243
Energy: 0.8549034814147435
Energy: 0.8839380797239947
Energy: 0.8549034814147435
Energy: 0.8533975129365166
Energy: 0.8570396583218378
Energy: 0.8433415542273994
Energy: 0.8570396583228866
Energy: 0.8534362544226908
Energy: 0.9214489781008517
Energy: 0.87558155604553
Energy: 0.9214489781008517
Energy: 0.831488861299665
Energy: 0.9081928204609037
Energy: 0.8431984488276164
Energy: 0.9081928204598548
Energy: 0.8313258385611605
Energy: 0.9350098044884689
Energy: 0.9583594341872667
Energy: 0.9350098044884689
Energy: 0.8243249835608689
Energy: 0.9112600242868288
Energy: 0.8421387541334809
Energy: 0.9112600242868288
Energy: 0.8240479968479408
Energy: 0.8551717367083821
Energy: 0.8543831820920381
Energy: 0.8551717367083821
Energy: 0.8736798754406708
Energy: 0.9086140132766292
Energy: 0.842286144688248
Energy: 0.9086140132766292
Energy: 0.8332997985890368
Energy: 0.8543007763406484
Energy: 1.0424801915967163
Energy: 0.8543007763406484
Energy: 1.0888463720909316
Energy: 0.8204862543591999
Energy: 0.83552379091164
Energy: 0.8204862543581511
Energy: 0.9469363348608761
Energy: 0.8549063145555994
Energy: 1.1066264120838054
Energy: 0.8549063145555994
Energy: 0.9166066329855608
Energy: 0.820331730624124
Energy: 0.8375208438209515
Energy: 0.820331730624124
Energy: 0.8334158000530129
Energy: 0.8540649410414161
Energy: 0.9551093517304877
Energy: 0.8540649410414161
Energy: 0.8490647805216444
Energy: 0.9115878323937611
Energy: 0.8406111488961893
Energy: 0.9115878323937611
Energy: 0.8308978457410912
Energy: 0.8482519968735985
Energy: 1.013058871918458
Energy: 0.8482519968746474
Energy: 0.8247712680911996
Energy: 0.9108914775191104
Energy: 0.8407165529093181
Energy: 0.9108914775191104
Energy: 0.8316141197132588
Energy: 0.9384689619761236
Energy: 0.8976081828740837
Energy: 0.9384689619761236

minimum gb energy = 0.820331730624124 eV
minimum distance =  2.27911283708285 Angstroms
sigma value = 17


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

Energy: 0.8518906497966117
Energy: 0.8512383205925094
Energy: 1.1904929239453428
Energy: 0.8512383205925094
Energy: 0.9306259089793874
Energy: 0.8421386942021648
Energy: 0.8318338130489124
Energy: 0.8421386942021648
Energy: 0.8291818504327118
Energy: 0.8443300907675194
Energy: 1.0051512309605912
Energy: 0.8443300907675194
Energy: 0.8940879309822927
Energy: 0.8233512063447751
Energy: 0.8278984339206038
Energy: 0.8233512063441268
Energy: 0.8265257508488406
Energy: 0.8476460517038986
Energy: 1.0236676802889584
Energy: 0.8476460517032504
Energy: 0.8514509851951463
Energy: 0.8310464028986235
Energy: 0.8359744380466428
Energy: 0.8310464029025132
Energy: 0.842365807714251
Energy: 0.8940639879317892
Energy: 0.8497631726231015
Energy: 0.8940639879337341
Energy: 0.8254433926789022
Energy: 1.0101568363590618
Energy: 0.8293089057464159
Energy: 1.0101568363590618
Energy: 0.8527712612668403
Energy: 0.8835225941233318
Energy: 0.871944236888207
Energy: 0.8835225941246283
Energy: 0.8557501019493619
Energy: 0.8814908962494896
Energy: 0.8315785641193726
Energy: 0.8814908962501378
Energy: 0.8289347827618297
Energy: 0.8683979591398366
Energy: 0.8301219850508944
Energy: 0.8683979591398366
Energy: 0.8308557741792766
Energy: 0.8870594499755189
Energy: 0.8324808950831057
Energy: 0.8870594499755189
Energy: 0.8277973714848562
Energy: 1.0040103207080358
Energy: 0.8307868983171864
Energy: 1.0040103207080358
Energy: 0.8429156898156162
Energy: 0.904658585383509
Energy: 0.8707019016336696
Energy: 0.904658585383509
Energy: 0.8443999214548473
Energy: 0.8266766119754274
Energy: 0.8593606852544078
Energy: 0.8266766119767239
Energy: 0.8299409046844697
Energy: 0.8454126706826202
Energy: 1.0186306009804755
Energy: 0.8454126706819719
Energy: 0.8783237555336841
Energy: 0.8271187272007183
Energy: 0.8307397273941458
Energy: 0.8271187272007183
Energy: 0.8242821804763631
Energy: 0.8518988798340872
Energy: 0.9684125200784744
Energy: 0.8518988798327907
Energy: 0.9457403496368486
Energy: 0.8303157622246738
Energy: 0.83231446998097
Energy: 0.8303157622240256
Energy: 0.8324751425947851
Energy: 0.8438967213249778
Energy: 0.8838098316875898
Energy: 0.8438967213249778
Energy: 0.987445363823899
Energy: 0.8371304406637842
Energy: 0.8455277810017768
Energy: 0.8371304406637842
Energy: 0.8459067218614325
Energy: 0.8530158651066836
Energy: 0.8637048616807093
Energy: 0.8530158651053871
Energy: 0.8616488377544272
Energy: 0.8307956802374292
Energy: 0.8338318328656907
Energy: 0.830795680236781
Energy: 0.8315820722495395
Energy: 0.8368623064315495
Energy: 0.9698046296990147
Energy: 0.8368623064315495
Energy: 0.8487149977714132
Energy: 0.8524724511995989
Energy: 0.825855914733059
Energy: 0.8524724511989505
Energy: 0.8438839598430605
Energy: 0.9056581884043613
Energy: 0.8754639571256183
Energy: 0.9056581884056578
Energy: 0.9433568869264954
Energy: 0.8780357964900692
Energy: 0.8299237062869868
Energy: 0.8780357964913659
Energy: 0.8630728084077909
Energy: 0.9888991318703985
Energy: 0.8314733118319385
Energy: 0.9888991318703985
Energy: 0.8669543459575026
Energy: 0.9039562792985667
Energy: 0.843689217973817
Energy: 0.9039562792985667
Energy: 0.8439544647856776
Energy: 0.8761838463927475
Energy: 0.8780266923507745
Energy: 0.8761838463914509
Energy: 0.8305120996051972
Energy: 0.9031101270220535
Energy: 0.8336718274969103
Energy: 0.9031101270220535
Energy: 0.8427307182949878
Energy: 0.868222192987815
Energy: 0.8302248708515236
Energy: 0.8682221929865184
Energy: 0.8298704149340377
Energy: 0.8821609867617766
Energy: 0.9602228116707886
Energy: 0.8821609867617766
Energy: 0.8832545836691471
Energy: 1.0009052256094821
Energy: 0.8371996288150585
Energy: 1.0009052256094821
Energy: 0.8279783445931501
Energy: 0.8534679695659574
Energy: 0.8613424167781736
Energy: 0.8534679695672539
Energy: 0.8502781868434078
Energy: 0.8954460922074913
Energy: 0.8491411874911658
Energy: 0.8954460922074913
Energy: 0.8339315682951032
Energy: 0.8317715265326208
Energy: 0.8483585170560588
Energy: 0.8317715265319726
Energy: 1.0230900137325905
Energy: 0.8477627893650157
Energy: 0.8335570151863515
Energy: 0.8477627893650157

minimum gb energy = 0.8233512063441268 eV
minimum distance =  2.27703217579829 Angstroms
sigma value = 89


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

Energy: 0.7556733799488309
Energy: 0.7555886462911479
Energy: 1.0142138274729278
Energy: 0.7555886462911479
Energy: 0.7645281308618044
Energy: 0.7750438072840531
Energy: 0.7668663455107017
Energy: 0.7750438072840531
Energy: 0.7654357218210082
Energy: 0.8084079801618285
Energy: 1.3087855879828134
Energy: 0.8084079801618285
Energy: 0.7596921318441379
Energy: 0.7750163121661086
Energy: 0.7669098740251965
Energy: 0.7750163121661086
Energy: 0.7645522824946027
Energy: 0.7565161904254541
Energy: 1.218717401065234
Energy: 0.7565161904254541
Energy: 0.764795607241107
Energy: 0.7562724625566822
Energy: 0.7582161988767631
Energy: 0.7562724625566822
Energy: 0.7655020458934351
Energy: 0.885852322453429
Energy: 0.755796598485541
Energy: 0.885852322453429
Energy: 0.7795476312740662
Energy: 0.8075483862290413
Energy: 0.7668525917013445
Energy: 0.8075483862290413
Energy: 0.7646729326734735
Energy: 0.833933192930433
Energy: 0.7615899390901297
Energy: 0.833933192930433
Energy: 0.7752964791315684
Energy: 0.7561289103810666
Energy: 0.7580933679401752
Energy: 0.7561289103810666
Energy: 0.7554044698705584
Energy: 0.7756200878318125
Energy: 0.7646473878823145
Energy: 0.7756200878318125
Energy: 0.7554166211281453
Energy: 0.886966633619268
Energy: 0.7669344182021334
Energy: 0.886966633619268
Energy: 0.7646103481874849
Energy: 0.7559310372277586
Energy: 0.7617122120224359
Energy: 0.7559310372277586
Energy: 0.7646509347792225
Energy: 0.8326886315700277
Energy: 0.7646681224851475
Energy: 0.8326886315700277
Energy: 0.7774202504832787
Energy: 0.7557785762664047
Energy: 0.7664942880982166
Energy: 0.7557785762664047

minimum gb energy = 0.7554044698705584 eV
minimum distance =  2.29543139649238 Angstroms
sigma value = 13


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

Energy: 0.7628203867899931
Energy: 0.7456651911018845
Energy: 1.1731587623373074
Energy: 0.7456651910990408
Energy: 1.061106863748213
Energy: 0.7615517705344922
Energy: 0.7438561361334972
Energy: 0.7615517705352032
Energy: 0.7466397498494404
Energy: 0.7461065243066304
Energy: 1.1665341789660542
Energy: 0.7461065243080524
Energy: 0.7459521010496394
Energy: 0.8615297029219583
Energy: 0.7413988006452474
Energy: 0.8615297029198254
Energy: 0.7508752214976577
Energy: 0.8004324970368035
Energy: 0.9392876959620858
Energy: 0.8004324970360928
Energy: 0.7525730394166087
Energy: 0.7605044960831587
Energy: 0.749110220667305
Energy: 0.7605044960817368
Energy: 0.7527903520498894
Energy: 0.7529753616716592
Energy: 0.9482382861017434
Energy: 0.75297536167237
Energy: 0.749754150734803
Energy: 0.8601664445047242
Energy: 0.7493290299119446
Energy: 0.8601664579329544
Energy: 0.7525287167803482
Energy: 0.8032413272616544
Energy: 0.8723794950819327
Energy: 0.8032413272623653
Energy: 0.8927192825560913
Energy: 0.8152819126294141
Energy: 0.7414607955677109
Energy: 0.8152819126315471
Energy: 0.7507224020031804
Energy: 0.8142240040199159
Energy: 0.7574793973180727
Energy: 0.8142240040177832
Energy: 0.9592079233782254
Energy: 0.8126344111721502
Energy: 0.7406989877929605
Energy: 0.8126344111700173
Energy: 0.7716499326555929
Energy: 0.7537813201875703
Energy: 0.7585109730792396
Energy: 0.7537813201911252
Energy: 0.967184021243957
Energy: 0.8131811804509418
Energy: 0.7406149483401723
Energy: 0.8131811804530746
Energy: 0.7528597108911236
Energy: 0.7457269947256482
Energy: 0.7589490447023887
Energy: 0.7457269947213826
Energy: 0.7397007621374784
Energy: 0.8135505164322844
Energy: 0.748608383724424
Energy: 0.8135505164329955
Energy: 0.7493913634245647
Energy: 0.7959340170808313
Energy: 0.7490250267113708
Energy: 0.7959340170801203
Energy: 0.7693096615435304
Energy: 0.8009266298009217
Energy: 0.7574447264933029
Energy: 0.8009266298023435
Energy: 0.7492616753922804
Energy: 0.7536630983395538
Energy: 0.7575200152417876
Energy: 0.75366309833671
Energy: 0.749119009347833
Energy: 0.7537038458377658
Energy: 0.757770066950974
Energy: 0.7537038458377658
Energy: 0.7696155830600203
Energy: 0.8008887007611782
Energy: 0.7573838092637387
Energy: 0.8008887007597564
Energy: 0.7491262636323474
Energy: 0.7959909004815358
Energy: 0.7489292192124658
Energy: 0.7959909004808249
Energy: 0.740110642670977
Energy: 0.813620892756223
Energy: 0.7489515605030318
Energy: 0.813620892752668
Energy: 0.7509256955998569
Energy: 0.7456429873517258
Energy: 0.7647523968937485
Energy: 0.745642987350304
Energy: 0.9679519067897324
Energy: 0.8129231042168059
Energy: 0.7409036362916868
Energy: 0.8129231042175168
Energy: 0.7713865458884464
Energy: 0.7540822053060372
Energy: 0.7645677851390423
Energy: 0.7540822053159905
Energy: 0.9595064465100199
Energy: 0.8126922093299602
Energy: 0.7406767785978678
Energy: 0.8126922093313821
Energy: 0.7555298537107511
Energy: 0.8142430597647773
Energy: 0.7396306984798132
Energy: 0.8142430597647773
Energy: 0.8921331022706749
Energy: 0.8152321776850243
Energy: 0.7414501771629818
Energy: 0.8152321776864461
Energy: 0.7528873691914862
Energy: 0.8031943544761052
Energy: 0.8570561523825853
Energy: 0.8031943544746832
Energy: 0.7493625599908407
Energy: 0.8601621828880609
Energy: 0.7493654931261647
Energy: 0.8601621828873499
Energy: 0.7508135784133868
Energy: 0.7531737539198624
Energy: 0.9777907591672337
Energy: 0.7531737539177294
Energy: 0.7518818028532601
Energy: 0.7605914448771456
Energy: 0.7490738156486317
Energy: 0.7605914448778565
Energy: 0.7508976396238064
Energy: 0.8007142762159325
Energy: 0.9495043637102101
Energy: 0.8007142762137996
Energy: 0.7452099496642446
Energy: 0.8606727985767361
Energy: 0.7413581583541202
Energy: 0.8606727985810017

minimum gb energy = 0.7396306984798132 eV
minimum distance =  2.25555407355831 Angstroms
sigma value = 37


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

Energy: 0.8001126400783759
Energy: 0.7227069013695757
Energy: 0.6927056960478399
Energy: 0.7227069013683526
Energy: 1.0989333885641632
Energy: 0.7014986198376998
Energy: 0.6875699686342458
Energy: 0.7014986198376998
Energy: 0.6995426152481177
Energy: 0.7973854750128331
Energy: 0.9721313526037385
Energy: 0.7973854750128331
Energy: 0.7724273503992924
Energy: 0.7143816024002935
Energy: 0.6892338528963012
Energy: 0.7143816024002935
Energy: 0.6882701443290036
Energy: 0.7015129525886289
Energy: 0.7408995045818138
Energy: 0.7015129525886289
Energy: 0.7091197833547701
Energy: 0.7143587338485602
Energy: 0.7690986425307044
Energy: 0.7143587338497833
Energy: 0.6952389604280613
Energy: 0.7419229340289437
Energy: 0.9539716691651249
Energy: 0.7419229340289437
Energy: 0.6871026468067205
Energy: 0.701969028194435
Energy: 0.7036815734178796
Energy: 0.7019690281932118
Energy: 0.6885722678712008
Energy: 0.701522620921496
Energy: 0.8581860718656291
Energy: 0.701522620921496
Energy: 0.9735940039419962
Energy: 0.8023825375359701
Energy: 0.7679547282991596
Energy: 0.8023825375359701
Energy: 0.699814966821547
Energy: 0.7560534424036807
Energy: 0.7669902018087182
Energy: 0.7560534424036807
Energy: 0.8943298975986116
Energy: 0.7019320030662791
Energy: 0.6891688122333796
Energy: 0.701932003065056
Energy: 0.7664878803506746
Energy: 0.7014075594437111
Energy: 0.6845908558245563
Energy: 0.7014075594437111
Energy: 0.9529794740494911
Energy: 0.7316796173882256
Energy: 0.6788945565934169
Energy: 0.7316796173882256
Energy: 0.7986646820463672
Energy: 0.7319510568321667
Energy: 0.6789063095648852
Energy: 0.7319510568321667
Energy: 0.7990103369761685
Energy: 0.7016877301645663
Energy: 0.6874551492183562
Energy: 0.7016877301645663
Energy: 0.7664843249401309
Energy: 0.7872761674902686
Energy: 0.6779373170054414
Energy: 0.7872761674902686
Energy: 0.7670045136551621
Energy: 0.7564945887129112
Energy: 0.6874035549266171
Energy: 0.7564945887153577
Energy: 0.6884910412530988
Energy: 0.7030244242205852
Energy: 0.685273238503442
Energy: 0.7030244242205852
Energy: 0.6855400659629176
Energy: 0.7021088556844055
Energy: 0.7668455779180805
Energy: 0.7021088556844055

minimum gb energy = 0.6779373170054414 eV
minimum distance =  2.30824534384204 Angstroms
sigma value = 25


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

Energy: 0.7258949885707362
Energy: 0.6320004661939271
Energy: 0.6180224001326364
Energy: 0.632000466192972
Energy: 0.9595287189266004
Energy: 0.6387026017543942
Energy: 0.6241088778668217
Energy: 0.6387026017563043
Energy: 0.6897011399128188
Energy: 0.628469959112894
Energy: 0.8501924667867174
Energy: 0.6284699591119389
Energy: 0.8214640102968566
Energy: 0.6456484395332556
Energy: 0.6254436180690764
Energy: 0.6456484395332556
Energy: 0.6321485703373365
Energy: 0.6334807924279823
Energy: 0.653746185182541
Energy: 0.6334807924289374
Energy: 0.6781208536549618
Energy: 0.6956151660149539
Energy: 0.6318813039642978
Energy: 0.695615166015909
Energy: 0.6235536014116858
Energy: 0.6183315097369909
Energy: 0.8209845480434341
Energy: 0.6183315097369909
Energy: 0.616558837827846
Energy: 0.6577447868263557
Energy: 0.6910048694223081
Energy: 0.6577447868273107
Energy: 0.6230892102320822
Energy: 0.6386493132750686
Energy: 0.9487715361803079
Energy: 0.6386493132741135
Energy: 0.6053525711029493
Energy: 0.6209880755991121
Energy: 0.6530250154682532
Energy: 0.6209880755991121
Energy: 0.6236404286011856
Energy: 0.6180920063557754
Energy: 0.8897387388540783
Energy: 0.6180920063548204
Energy: 0.8500905909706084
Energy: 0.8032273022038786
Energy: 0.6911893611001239
Energy: 0.8032273022048338
Energy: 0.626758636368265
Energy: 0.6452621778609626
Energy: 0.8219282074494919
Energy: 0.6452621778609626
Energy: 0.818094264902771
Energy: 0.6874943947608796
Energy: 0.6318904224060076
Energy: 0.6874943947599245
Energy: 0.6341823037796522
Energy: 0.6186595575914435
Energy: 0.678110357128953
Energy: 0.6186595575923987
Energy: 0.8652393394213165
Energy: 0.7274339878950491
Energy: 0.6220818136078239
Energy: 0.7274339878931388
Energy: 0.6945248082584037
Energy: 0.6518463824871925
Energy: 0.6110425818254641
Energy: 0.6518463824871925
Energy: 0.84356881555546
Energy: 0.6335132041458444
Energy: 0.6218063437018384
Energy: 0.6335132041458444
Energy: 0.7297645082171935
Energy: 0.6286342537448214
Energy: 0.6118433818946978
Energy: 0.6286342537448214
Energy: 0.9698122834435287
Energy: 0.7214313920684494
Energy: 0.6227105726276003
Energy: 0.7214313920684494
Energy: 0.6929506275407954
Energy: 0.7185904361546942
Energy: 0.6084167399813645
Energy: 0.7185904361556494
Energy: 0.6900993644995855
Energy: 0.6455052053789395
Energy: 0.6299316740272671
Energy: 0.6455052053789395
Energy: 0.6340983764218893
Energy: 0.6849168484293786
Energy: 0.8183586550598476
Energy: 0.6849168484303336
Energy: 0.674688029998028
Energy: 0.7213577174567932
Energy: 0.63070072121182
Energy: 0.7213577174567932
Energy: 0.6218958328088785
Energy: 0.7190193517547672
Energy: 0.8651532910254883
Energy: 0.719019351753812
Energy: 0.6106581020214942
Energy: 0.6517273732195124
Energy: 0.6957446253131997
Energy: 0.6517273732195124

minimum gb energy = 0.6053525711029493 eV
minimum distance =  2.31297484357457 Angstroms
sigma value = 41


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

Energy: 0.7820270483081849
Energy: 0.5771469532043196
Energy: 1.0240075198324654
Energy: 0.5771469532051027
Energy: 1.0174606239909156
Energy: 0.5659617258256907
Energy: 0.56069704550923
Energy: 0.5659617258249074
Energy: 0.5761475951169571
Energy: 0.558649948180442
Energy: 1.0243958022872268
Energy: 0.558649948179659
Energy: 0.7774380270176954
Energy: 0.5664591777304921
Energy: 0.5606211514274033
Energy: 0.5664591777320583
Energy: 0.557244492518981
Energy: 0.6917303800106558
Energy: 0.5546746057804246
Energy: 0.6917303800090896
Energy: 0.6686370734280785
Energy: 0.5665202664614966
Energy: 0.5606552128439798
Energy: 0.5665202664614966
Energy: 0.559909268942649
Energy: 0.5663927616682635
Energy: 0.5918951351357264
Energy: 0.5663927616659143
Energy: 0.5521937984418869
Energy: 0.5767721808525047
Energy: 0.5578159755971
Energy: 0.5767721808525047
Energy: 0.5627277573190974
Energy: 0.577889379093412
Energy: 0.6954641531096756
Energy: 0.5778893790926289
Energy: 0.5528736282327578
Energy: 0.5589555708053938
Energy: 0.5765475381895284
Energy: 0.5589555708046108
Energy: 0.5599515307059343
Energy: 0.5662558279937527
Energy: 0.8923419538777495
Energy: 0.5662558279929696
Energy: 0.5510963034312286
Energy: 0.5773446655952363
Energy: 0.7826513250419441
Energy: 0.5773446655960195
Energy: 0.5627316993683457
Energy: 0.5770598269764876
Energy: 0.9000881287540893
Energy: 0.5770598269764876
Energy: 0.7650656519009668
Energy: 0.6390613956847689
Energy: 0.5766630868750215
Energy: 0.6390613956863352
Energy: 0.560113583047248
Energy: 0.5661605365440208
Energy: 0.7775993018217746
Energy: 0.5661605365424546
Energy: 0.7287817356545006
Energy: 0.7035484868919254
Energy: 0.5579112929551935
Energy: 0.7035484868919254
Energy: 0.5626657659843857
Energy: 0.5760493446001503
Energy: 0.667702369399399
Energy: 0.5760493446009334
Energy: 0.7250976260727888
Energy: 0.6373455162004876
Energy: 0.560842547450449
Energy: 0.6373455162004876
Energy: 0.5599879975472332
Energy: 0.5766902643016778
Energy: 0.5537358172591857
Energy: 0.5766902643008947
Energy: 0.7103219212182456
Energy: 0.5779623363613329
Energy: 0.5662675965483219
Energy: 0.5779623363613329
Energy: 0.5786688008946108
Energy: 0.5761079930392129
Energy: 0.5525010893308341
Energy: 0.5761079930368638
Energy: 0.8922206584858673
Energy: 0.5897287416694076
Energy: 0.5607641041363651
Energy: 0.5897287416686247
Energy: 0.78502502860239
Energy: 0.5763501184371194
Energy: 0.5629689399029746
Energy: 0.5763501184355533
Energy: 0.7893309169701346
Energy: 0.575930768475801
Energy: 0.5622160658878793
Energy: 0.5759307684765842
Energy: 0.5787693199437616
Energy: 0.634073145746513
Energy: 0.5681247633391008
Energy: 0.634073145746513
Energy: 0.777009744399645
Energy: 0.5897621629075793
Energy: 0.5607532819809344
Energy: 0.5897621629091455
Energy: 0.5601530671373698
Energy: 0.5758100791073993
Energy: 0.7362878867256307
Energy: 0.5758100791073993
Energy: 0.5572568557760883
Energy: 0.5759089669308645
Energy: 0.5635100364777121
Energy: 0.5759089669300814
Energy: 0.5627443723207075
Energy: 0.6343993406342998
Energy: 0.7262465439435877
Energy: 0.6343993406342998
Energy: 0.5537253979474249
Energy: 0.6054838488434644
Energy: 0.5636810524608414
Energy: 0.6054838488442474
Energy: 0.565067117165551
Energy: 0.5759624512370923
Energy: 0.7103605721503652
Energy: 0.5759624512386583
Energy: 0.5508752535501494
Energy: 0.5759863624170536
Energy: 0.5823384623146244
Energy: 0.5759863624170536

minimum gb energy = 0.5508752535501494 eV
minimum distance =  2.30675438069444 Angstroms
sigma value = 15


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

Energy: 0.7115976847626865
Energy: 0.5266600185516994
Energy: 0.5165800350414705
Energy: 0.5266600185516994
Energy: 1.0053521274980928
Energy: 0.5241779213958805
Energy: 0.5245156287870519
Energy: 0.5241779213972072
Energy: 0.5404924803112259
Energy: 0.5229998316568444
Energy: 0.9571531223062318
Energy: 0.522999831656181
Energy: 0.8051168360425388
Energy: 0.5248898484129324
Energy: 0.5244642718322027
Energy: 0.5248898484102791
Energy: 0.5221823725571257
Energy: 0.6554018762132977
Energy: 0.7922227917229044
Energy: 0.6554018762139611
Energy: 0.6961652796020654
Energy: 0.5242876439211827
Energy: 0.5244949775637185
Energy: 0.524287643921846
Energy: 0.5238077117262409
Energy: 0.5323983851331634
Energy: 0.5329081192354417
Energy: 0.5323983851338268
Energy: 0.6048742609700086
Energy: 0.5319177443282371
Energy: 0.524389054299752
Energy: 0.5319177443275738
Energy: 0.5258223742675957
Energy: 0.5327525928144168
Energy: 0.6326935357473532
Energy: 0.5327525928144168
Energy: 0.5075124252649857
Energy: 0.5235282090046336
Energy: 0.5225418534658667
Energy: 0.5235282090039702
Energy: 0.5239097941017494
Energy: 0.5238101656409917
Energy: 0.7992100255805278
Energy: 0.5238101656423184
Energy: 0.5086723953505259
Energy: 0.5232217708966157
Energy: 0.5409752533160855
Energy: 0.5232217708953493
Energy: 0.5256503355293373
Energy: 0.5334320582816359
Energy: 0.901268463432003
Energy: 0.5334320582822992
Energy: 0.5074693886768323
Energy: 0.5259514632523868
Energy: 0.7126303011673656
Energy: 0.5259514632517235
Energy: 0.5239164835002572
Energy: 0.5244244948451054
Energy: 0.9161544090493806
Energy: 0.5244244948457688
Energy: 0.69247778137115
Energy: 0.5231551889894619
Energy: 0.5409799100709124
Energy: 0.5231551889887985
Energy: 0.5257339201412655
Energy: 0.5321371800780283
Energy: 0.8170483770452979
Energy: 0.5321371800786917
Energy: 0.674029262923689
Energy: 0.5322405303954223
Energy: 0.5226036428913554
Energy: 0.5322405303954223
Energy: 0.5240146491489156
Energy: 0.5235051023845487
Energy: 0.717047513594717
Energy: 0.523505102383222
Energy: 0.6700645013205022
Energy: 0.5247548998547903
Energy: 0.5242609082241566
Energy: 0.524754899852137
Energy: 0.5256950529937928
Energy: 0.5416947500516858
Energy: 0.6046174709958247
Energy: 0.5416947500510224
Energy: 0.6595051304540801
Energy: 0.5314085507582513
Energy: 0.5278655389770895
Energy: 0.5314085507589148
Energy: 0.5238396754557342
Energy: 0.5235492941887016
Energy: 0.5092651836210803
Energy: 0.5235492941906916
Energy: 0.8355247135161364
Energy: 0.5235768413526499
Energy: 0.5242832460267958
Energy: 0.5235768413506598
Energy: 0.5426113343223807
Energy: 0.5415322532673793
Energy: 0.5085552498544126
Energy: 0.5415322532680427
Energy: 0.8249903075107963
Energy: 0.531876602175668
Energy: 0.5278696477037457
Energy: 0.531876602175668
Energy: 0.7135012109464155
Energy: 0.5229497030829354
Energy: 0.5205086295361551
Energy: 0.5229497030842623
Energy: 0.9129298538899098
Energy: 0.522915991718
Energy: 0.5244702633776085
Energy: 0.5229159917153465
Energy: 0.5424461959393806
Energy: 0.588691325494052
Energy: 0.5254813381450266
Energy: 0.5886913254947154
Energy: 0.7208005864255804
Energy: 0.5317034564300631
Energy: 0.5279849784849957
Energy: 0.5317034564307265
Energy: 0.523896798174528
Energy: 0.5704166837720985
Energy: 0.671484097753007
Energy: 0.5704166837681185
Energy: 0.7140465768498678
Energy: 0.5235326224756767
Energy: 0.5244351909342061
Energy: 0.5235326224789935
Energy: 0.5259045754074995
Energy: 0.5893656021841219
Energy: 0.6677907114328161
Energy: 0.5893656021827952
Energy: 0.511577455685532
Energy: 0.5420205787712505
Energy: 0.5279013392957013
Energy: 0.5420205787732407
Energy: 0.5141975579813522
Energy: 0.5705685936094931
Energy: 0.6569373224261014
Energy: 0.5705685936094931
Energy: 0.5097132571037198
Energy: 0.5228000444507618
Energy: 0.5260686710757497
Energy: 0.5228000444494351
Energy: 0.5257073088355063
Energy: 0.7198230923436251
Energy: 0.8334374096523806
Energy: 0.7198230923449518

minimum gb energy = 0.5074693886768323 eV
minimum distance =  2.30968897516925 Angstroms
sigma value = 85


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

Energy: 0.7269322284383577
Energy: 0.5133978476416076
Energy: 0.5643733258396968
Energy: 0.5133978476416076
Energy: 1.0193383314934663
Energy: 0.5048119068277461
Energy: 0.4772839094932291
Energy: 0.5048119068277461
Energy: 0.6982997846274291
Energy: 0.5091354624369474
Energy: 0.6788718788538287
Energy: 0.5091354624363721
Energy: 0.8493975587629312
Energy: 0.50122367145312
Energy: 0.4773940775182332
Energy: 0.5012236714536953
Energy: 0.542132461382796
Energy: 0.4828791332448987
Energy: 0.4944172611474219
Energy: 0.4828791332443233
Energy: 0.7651267605644142
Energy: 0.5084777823833859
Energy: 0.4773014929254851
Energy: 0.5084777823839612
Energy: 0.5166117334604374
Energy: 0.5155941955195765
Energy: 0.5327688625888108
Energy: 0.5155941955184258
Energy: 0.6687593620655722
Energy: 0.4997682034187192
Energy: 0.4833796676522856
Energy: 0.4997682034187192
Energy: 0.4827734309901722
Energy: 0.48743040607023325
Energy: 0.6333031401056239
Energy: 0.48743040607080856
Energy: 0.5799134014991965
Energy: 0.510719793595211
Energy: 0.5170893081060957
Energy: 0.510719793595211
Energy: 0.47862266103797724
Energy: 0.5004885489982902
Energy: 0.7154839177291908
Energy: 0.5004885489982902
Energy: 0.49589729875386185
Energy: 0.5057909977010113
Energy: 0.5426690313265219
Energy: 0.5057909977015866
Energy: 0.4768085308329907
Energy: 0.48659734965730084
Energy: 0.8432356405444884
Energy: 0.48659734965730084
Energy: 0.45881106046139064
Energy: 0.5092685408200827
Energy: 0.6987760641643026
Energy: 0.5092685408200827
Energy: 0.4786051875584383
Energy: 0.5004254096881674
Energy: 0.9332474563804665
Energy: 0.5004254096870168
Energy: 0.45429970777231554
Energy: 0.5035933952188961
Energy: 0.6699228172224343
Energy: 0.5035933952171702
Energy: 0.47685413120214787
Energy: 0.48782213870110946
Energy: 0.885512755102305
Energy: 0.48782213870053415
Energy: 0.5923704112220592
Energy: 0.5093718154092564
Energy: 0.6987675736549447
Energy: 0.509371815408681
Energy: 0.47805906893462674
Energy: 0.5012468778308629
Energy: 0.8489843870714832
Energy: 0.5012468778302875
Energy: 0.5893593219964354
Energy: 0.6083089036697712
Energy: 0.542556230797483
Energy: 0.6083089036686204
Energy: 0.4776556028383971
Energy: 0.49385708454173954
Energy: 0.7645011802200047
Energy: 0.49385708454173954
Energy: 0.6268115797623506
Energy: 0.585979490081098
Energy: 0.5170572979103457
Energy: 0.5859794900805225
Energy: 0.4837347165285118
Energy: 0.4995119894749586
Energy: 0.6682436436949526
Energy: 0.4995119894738079
Energy: 0.6291085741384829
Energy: 0.5170650359447925
Energy: 0.4832822798020886
Energy: 0.5170650359442172
Energy: 0.5185210297409091
Energy: 0.501425196937763
Energy: 0.5785155512491789
Energy: 0.5014251969371877
Energy: 0.7959655232407602
Energy: 0.5006723279074814
Energy: 0.47882547876578574
Energy: 0.5006723279074814
Energy: 0.5438227917441129
Energy: 0.49976310254527184
Energy: 0.4960796922892484
Energy: 0.49976310254642253
Energy: 0.7941921603404437
Energy: 0.5201490916820138
Energy: 0.4773065558962547
Energy: 0.5201490916820138
Energy: 0.7002982436944497
Energy: 0.5104045734815877
Energy: 0.4562874452122563
Energy: 0.5104045734827384
Energy: 0.9269458405868082
Energy: 0.5010555475021485
Energy: 0.4783380196712273
Energy: 0.5010555475027239
Energy: 0.7287725222996216
Energy: 0.5077457986451854
Energy: 0.4543069253811372
Energy: 0.5077457986446101
Energy: 0.865463847451148
Energy: 0.5149846227127985
Energy: 0.47730953775758594
Energy: 0.5149846227116479
Energy: 0.7004745919482465
Energy: 0.5104947320454429
Energy: 0.4564199370386546
Energy: 0.5104947320477443
Energy: 0.8489081354763734
Energy: 0.49939715438996746
Energy: 0.4788176887238194
Energy: 0.4993971543916935
Energy: 0.5439100680980516
Energy: 0.5002240069620382
Energy: 0.5901561902991351
Energy: 0.5002240069614629
Energy: 0.6794197095392341
Energy: 0.5237741331278972
Energy: 0.4791211698352865
Energy: 0.5237741331273218
Energy: 0.5185501665897956
Energy: 0.5864406721708231
Energy: 0.6271268420244116
Energy: 0.5864406721713983
Energy: 0.6681986514486854
Energy: 0.4994152640681588
Energy: 0.4854652980247544
Energy: 0.4994152640681588
Energy: 0.4838921190483037
Energy: 0.4996181197584273
Energy: 0.628970874751996
Energy: 0.4996181197590026
Energy: 0.501675289568499
Energy: 0.5313026598520695
Energy: 0.5192977598811166
Energy: 0.5313026598514942
Energy: 0.47657921659916325
Energy: 0.49959385598806566
Energy: 0.7978040253447123
Energy: 0.4995938559869151
Energy: 0.49604598141033096
Energy: 0.4995066645992233
Energy: 0.5445672857442526
Energy: 0.499506664600374
Energy: 0.4787232743583952
Energy: 0.49959382791860596
Energy: 0.7946691262909932
Energy: 0.4995938279197566

minimum gb energy = 0.45429970777231554 eV
minimum distance =  2.32078674000876 Angstroms
sigma value = 113


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

Energy: 0.015441402445349608
Energy: 0.016035678521444247
Energy: 0.5909935600435785
Energy: 0.016035678521861958
Energy: 0.5907217088373802
Energy: 0.2567791711142961
Energy: 0.25616659796762986
Energy: 0.2567791711142961
Energy: 0.015441402445349608
Energy: 0.016035678521444247
Energy: 0.5909935600435785
Energy: 0.016035678521001958
Energy: 0.5907217088373802
Energy: 0.2567791711142961
Energy: 0.25616659797281444
Energy: 0.2567791711138538
Energy: 0.015441402445349608
Energy: 0.016035678521444247
Energy: 0.5909935600435785
Energy: 0.016035678521444247
Energy: 0.5907217088373802
Energy: 0.2567791711134361
Energy: 0.25616659796890756
Energy: 0.2567791711134361

minimum gb energy = 0.015441402445349608 eV
minimum distance =  2.54802786013692 Angstroms
sigma value = 1