Model name: model_name=MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_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=3.613315634429455
cohesive_energy=3.5402784386781683
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.74472228912698e-19, 2.4303577578809396e-19, 2.9282982339618e-19, 3.3400576288998e-19, 3.68277923267874e-19, 3.9739267706092194e-19, 4.2244591308677993e-19, 4.4418745001016e-19, 4.631524148268179e-19, 4.79744556048522e-19, 4.942762981189019e-19, 5.0699277406296e-19, 5.180958581365799e-19, 5.27750574533064e-19, 5.36094710442936e-19, 5.432452247604779e-19, 5.4930145243699795e-19, 5.54351513187366e-19, 5.584707093133799e-19, 5.61724730057034e-19, 5.641712537771519e-19, 5.658647544792899e-19, 5.668500931092e-19, 5.67170528436e-19, 5.66829264812958e-19, 5.65726967288766e-19, 5.637354617327039e-19, 5.60702541364542e-19, 5.564503645779059e-19, 5.50761035350572e-19, 5.433798075977339e-19, 5.339974612290299e-19, 5.22242291265372e-19, 5.076624838959719e-19, 4.89703686005466e-19, 4.676817681711359e-19, 4.40753985483498e-19, 4.0785969701084397e-19, 3.6765948308715e-19, 3.18447025597206e-19, 2.58019331669262e-19, 1.83498892068654e-19, 9.107316727711559e-20, -2.4398746870869e-20, -1.7002298440007997e-19, -3.5654037724719e-19, -6.016269391268039e-19, -9.36537931814994e-19, -1.421004102403914e-18, -2.1790243093053598e-18, -3.49252075739124e-18, -6.071015766851819e-18, -1.19204344834551e-17, -2.75082512821362e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01366749043575048
Energy: 0.12391001596593074
Energy: 0.69169633344203
Energy: 0.013856607333266768
Energy: 0.12391001596593074
Energy: 1.5855327435469786
Energy: 0.013856607332638967
Energy: 1.585532741488418
Energy: 0.6916963334279393
Energy: 0.013856607332638967
Energy: 0.01366749043575048
Energy: 0.12391001596593074
Energy: 0.013856607332638967
Energy: 1.5855327469977585
Energy: 0.12391001596593074
Energy: 1.5855327481046415

minimum gb energy = 0.01366749043575048 eV
minimum distance =  2.46928785247416 Angstroms
sigma value = 1


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

Energy: 1.2865230030872665
Energy: 0.8728452391839323
Energy: 0.8733404671526721
Energy: 0.8267557380986824
Energy: 0.8425158409035536
Energy: 0.923932670155351
Energy: 0.84289086284322
Energy: 0.923932670155351
Energy: 0.8740023288265459
Energy: 0.8712315818091522
Energy: 0.8442372055322588
Energy: 0.8712315818091522
Energy: 0.8441548879158398
Energy: 0.8433174483961536
Energy: 0.84324149446715
Energy: 0.8433174483984379
Energy: 0.8960993084285022
Energy: 0.8431899833039234
Energy: 0.8444748818953028
Energy: 0.8431899833039234
Energy: 0.8956733891679046
Energy: 0.9818544626240386
Energy: 0.8429882775981317
Energy: 0.9818544626263227
Energy: 0.8962914524892542
Energy: 0.913233729294787
Energy: 0.8992138396790118
Energy: 0.9132337292978324
Energy: 0.8977203045685425
Energy: 0.9149514550683266
Energy: 0.940250844665575
Energy: 0.9149514550683266
Energy: 0.9308299522768331
Energy: 0.9953064157913034
Energy: 0.9301809474492961
Energy: 0.9953064157913034
Energy: 0.9506045424141489
Energy: 0.9925227025216011
Energy: 0.9279929307279489
Energy: 0.9925227025216011
Energy: 0.9238000720669808
Energy: 0.9941640061518157
Energy: 0.9303758264113006
Energy: 0.9941640061518157
Energy: 0.8977474904637124
Energy: 0.9928775059084104
Energy: 0.9391658740972691
Energy: 0.9928775059084104
Energy: 0.8984503393442151
Energy: 0.9132767682136573
Energy: 0.86197235102991
Energy: 0.9132767682167028
Energy: 0.8971831123694651
Energy: 0.8960060893818269
Energy: 0.8601035534872552
Energy: 0.8960060893970545
Energy: 0.8639086109324038
Energy: 0.8440081623619056
Energy: 0.8424548216156656
Energy: 0.8440081623611443
Energy: 0.8228662211748737
Energy: 0.84392965083289
Energy: 0.8424592376495526
Energy: 0.8439296508336512
Energy: 0.8707503716423098
Energy: 0.8443411172998542
Energy: 0.8224983999158009
Energy: 0.8443411172998542
Energy: 0.8427267861909029
Energy: 0.8453187439532901
Energy: 0.8610781852538792
Energy: 0.8453187439540516
Energy: 0.8445857827193916
Energy: 0.873186754947848
Energy: 0.8731822132312224
Energy: 0.873186754947848
Energy: 0.843197814738438
Energy: 0.8465038050811883
Energy: 0.8446878733232335
Energy: 0.8465038050819497
Energy: 0.8472297486662469
Energy: 0.8431011475290503
Energy: 0.8965329009348246
Energy: 0.8431011475290503
Energy: 0.8440110855053623
Energy: 0.8437212469025293
Energy: 0.8436506081598434
Energy: 0.8437212469017679
Energy: 0.8988108665626164
Energy: 0.9132581693184617
Energy: 0.8952327039135373
Energy: 0.9132581693184617
Energy: 0.8892464241992811
Energy: 0.89527768587442
Energy: 0.8964191615974968
Energy: 0.8952776858751814
Energy: 0.9312164988200271
Energy: 0.9972960301188356
Energy: 0.9300613686929424
Energy: 0.997296030119597
Energy: 0.9298128281482714
Energy: 0.9924603927481578
Energy: 0.9523847957536467
Energy: 0.9924603927481578
Energy: 0.930989787434536
Energy: 0.9941035806506213
Energy: 0.9240951258900143
Energy: 0.9941035806506213
Energy: 0.9469701511252329
Energy: 0.9954536265865005
Energy: 0.8973942866047967
Energy: 0.995453626585739
Energy: 0.8616540799155562
Energy: 0.9130005831417285
Energy: 0.8968649006214913
Energy: 0.9130005831417285
Energy: 0.8608520733218461
Energy: 0.9144171906504899
Energy: 0.8975486525639482
Energy: 0.9144171906512513
Energy: 0.8457093532008267
Energy: 0.8429827107678071
Energy: 0.8626843249248993
Energy: 0.8429827107678071
Energy: 0.8427974560254664
Energy: 0.8426357765857961
Energy: 0.8226538171043085
Energy: 0.8426357765865576
Energy: 0.8223014859473288
Energy: 0.8444390181293672
Energy: 0.8703249783645731
Energy: 0.8444390181286058

minimum gb energy = 0.8223014859473288 eV
minimum distance =  2.26515601413375 Angstroms
sigma value = 1


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

Energy: 1.4605533960641774
Energy: 0.9222242710030947
Energy: 0.9244463599786394
Energy: 0.8682098112639121
Energy: 0.88770609985626
Energy: 0.9726789763906918
Energy: 0.8876686943644067
Energy: 0.9726789763915599
Energy: 0.9216170524245278
Energy: 0.9206344884081082
Energy: 0.888579104251533
Energy: 0.9206344884098445
Energy: 0.8892486562617122
Energy: 0.8871436240046221
Energy: 0.8880807618128401
Energy: 0.8871436240046221
Energy: 0.8883752328564266
Energy: 0.8879251950987981
Energy: 0.8906187886107432
Energy: 0.8879251950987981
Energy: 0.9497824635307389
Energy: 0.8882625928281646
Energy: 0.8881204705416091
Energy: 0.8882625927639636
Energy: 0.9508065128980161
Energy: 0.9765757785252078
Energy: 0.9485299219997997
Energy: 0.9765757785234717
Energy: 0.9515397050609579
Energy: 0.9794761803559899
Energy: 0.99633630970625
Energy: 0.9794761803620667
Energy: 0.9494881006243184
Energy: 1.0497304990640168
Energy: 0.9765174831643745
Energy: 1.0497304990640168
Energy: 0.9961183567866092
Energy: 1.0506011052429147
Energy: 0.9512293670642714
Energy: 1.0506011052411783
Energy: 0.9108145143124967
Energy: 0.9764975075652147
Energy: 0.9520758602904845
Energy: 0.9764975075634786
Energy: 0.9093319402963336
Energy: 0.9903476702724143
Energy: 0.9508989892385143
Energy: 0.9903476702715464
Energy: 0.8874524075840017
Energy: 0.8877925824677944
Energy: 0.9088498634423012
Energy: 0.8877925824686625
Energy: 0.8877709396494238
Energy: 0.8877016049100979
Energy: 0.862539929920895
Energy: 0.8877016049100979
Energy: 0.8630706980371657
Energy: 0.8893641618376669
Energy: 0.9208979300601731
Energy: 0.8893641618341944
Energy: 0.9092540044370988
Energy: 0.8904731902680401
Energy: 0.8881435224551156
Energy: 0.8904731902671719
Energy: 0.9235769263786241
Energy: 0.9237455853286128
Energy: 0.888564386838406
Energy: 0.9237455853312172
Energy: 0.8897453027802792
Energy: 0.8900721191400975
Energy: 0.8883887904610406
Energy: 0.8900721191400975
Energy: 0.8890920208263033
Energy: 0.8886759008213256
Energy: 0.887578720228569
Energy: 0.8886759008213256
Energy: 0.9504526867728482
Energy: 0.8879313709608195
Energy: 0.8884172392809317
Energy: 0.8879313709625557
Energy: 0.950423036504035
Energy: 0.9870786140170479
Energy: 0.948362052902582
Energy: 0.987078614018784
Energy: 0.949296937091799
Energy: 0.9769108009596768
Energy: 0.8880148483941297
Energy: 0.9769108009579406
Energy: 0.9495272150918427
Energy: 1.0514163181837866
Energy: 0.9902130591411877
Energy: 1.0514163181837866
Energy: 0.9538416353192515
Energy: 1.0500888821884193
Energy: 0.9507801731997043
Energy: 1.0500888821875514
Energy: 0.9088934973991043
Energy: 0.9767639482623879
Energy: 0.9526849528139583
Energy: 0.9767639482623879
Energy: 0.90955391115895
Energy: 0.9770430177610014
Energy: 0.9522621476622769
Energy: 0.9770430177601332
Energy: 0.8880420813534394
Energy: 0.8883317111469995
Energy: 0.9096441088685875
Energy: 0.8883317111452633
Energy: 0.887448778014306
Energy: 0.8877256887009777
Energy: 0.8624952414643859
Energy: 0.8877256886992414
Energy: 0.8631904129034861
Energy: 0.8894477153127401
Energy: 0.9200090574541776
Energy: 0.8894477153136081

minimum gb energy = 0.8624952414643859 eV
minimum distance =  2.26721428549808 Angstroms
sigma value = 25


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

Energy: 1.3968427578931373
Energy: 0.9791517691191916
Energy: 0.9795114874391101
Energy: 0.9126004773467724
Energy: 0.9374723613945756
Energy: 1.0237598474517076
Energy: 0.9376214407275495
Energy: 1.0237598474517076
Energy: 0.9771063117276294
Energy: 0.9760309233483798
Energy: 0.9368266595434548
Energy: 0.9760309233483798
Energy: 0.939527808122927
Energy: 1.0249858658469435
Energy: 0.937274734226937
Energy: 1.0249858658459343
Energy: 0.9362011146459636
Energy: 0.9383726199976655
Energy: 0.9369502120952595
Energy: 0.9383726199986747
Energy: 0.9902455849127895
Energy: 0.937724085235425
Energy: 0.9385269289833135
Energy: 0.9377240852374433
Energy: 0.9904737619763138
Energy: 1.0625354145324692
Energy: 0.9886624028335886
Energy: 1.0625354145324692
Energy: 0.989845269751459
Energy: 1.0628364948669287
Energy: 0.9372277224771391
Energy: 1.0628364948608737
Energy: 0.9921423702513001
Energy: 1.0613169269350153
Energy: 0.9674804671095527
Energy: 1.0613169269360245
Energy: 0.9901180770432004
Energy: 1.0627419528815905
Energy: 0.9383610485281112
Energy: 1.0627419528825996
Energy: 0.9055738592202591
Energy: 0.9384716565272702
Energy: 0.9376883244621217
Energy: 0.938471656526261
Energy: 0.9045422045230175
Energy: 0.9384082750465118
Energy: 0.9378851545005076
Energy: 0.9384082750475211
Energy: 0.9772493648304135
Energy: 0.9394825900557243
Energy: 0.9064004310395737
Energy: 0.9394825900547151
Energy: 0.9377405411581169
Energy: 0.939304578581402
Energy: 0.9658742822354209
Energy: 0.939304578582411
Energy: 0.9369728153861935
Energy: 0.980729871042043
Energy: 0.9806373001138103
Energy: 0.980729871042043
Energy: 0.938426028363478
Energy: 0.9404502907546165
Energy: 0.9400063273091187
Energy: 0.9404502907546165
Energy: 0.9380414358071922
Energy: 0.9379914988775903
Energy: 0.9363859742113888
Energy: 0.9379914988775903
Energy: 0.9382404448453507
Energy: 0.9377034032047938
Energy: 0.9394130275473161
Energy: 0.9377034032047938
Energy: 0.9889396694281414
Energy: 1.0637130637728576
Energy: 0.990225317213014
Energy: 1.0637130637738668
Energy: 0.9381372992994346
Energy: 1.0634145576296457
Energy: 0.9936298421747711
Energy: 1.0634145576296457
Energy: 0.965358817511447
Energy: 1.0618566636472138
Energy: 0.9916632486804539
Energy: 1.0618566636472138
Energy: 0.966439196146914
Energy: 1.0613879950963705
Energy: 0.9898152788725302
Energy: 1.0613879950963705
Energy: 0.9370244464034091
Energy: 0.9380985130073628
Energy: 0.9051353008763244
Energy: 0.9380985130073628
Energy: 0.9379904422774639
Energy: 0.9383325135472987
Energy: 0.9045308746075112
Energy: 0.9383325135472987
Energy: 0.9057717359146121
Energy: 0.9396698339378836
Energy: 0.9759934896831063
Energy: 0.9396698339388929

minimum gb energy = 0.9045308746075112 eV
minimum distance =  2.27321821328556 Angstroms
sigma value = 9


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

Energy: 1.3015408372775168
Energy: 1.0347007104816268
Energy: 1.039635224657292
Energy: 0.9542862482870101
Energy: 1.0413551287760339
Energy: 1.0716881310006976
Energy: 1.0204279930377378
Energy: 1.071688130999494
Energy: 1.0332294888884412
Energy: 1.033872173352228
Energy: 1.0417580493488092
Energy: 1.033872173352228
Energy: 0.9974045444995884
Energy: 1.0718679917301899
Energy: 1.020548021315776
Energy: 1.0718679917301899
Energy: 1.0187495156835347
Energy: 0.9949707679671
Energy: 0.9939790907358691
Energy: 0.9949707679658962
Energy: 0.9965321604052632
Energy: 0.9943436333297504
Energy: 0.9952316420335073
Energy: 0.9943436333309543
Energy: 1.0375579565159059
Energy: 1.1320447975193277
Energy: 1.020576422734382
Energy: 1.1320447975193277
Energy: 1.0205682650014498
Energy: 1.1319223504070084
Energy: 0.9945490272137908
Energy: 1.1319223504058045
Energy: 0.992866996503393
Energy: 0.995207141284638
Energy: 0.9428208707641842
Energy: 0.995207141284638
Energy: 1.0230890855649184
Energy: 0.9953775198382386
Energy: 0.9421974215434007
Energy: 0.9953775201210087
Energy: 0.9430704869863256
Energy: 0.9958711590578371
Energy: 1.0337712021805883
Energy: 0.9958711590590408
Energy: 1.0386595160689294
Energy: 0.9970698772562966
Energy: 1.0216004338854705
Energy: 0.9970698772671313
Energy: 1.0424162592611583
Energy: 1.042092637554422
Energy: 1.0415801968034093
Energy: 1.042092637554422
Energy: 1.0339936945206245
Energy: 0.9972051607026357
Energy: 0.9934675550920017
Energy: 0.9972051607026357
Energy: 1.0187059853278035
Energy: 0.9944387266476193
Energy: 0.9944642774152296
Energy: 0.9944387266488233
Energy: 0.9968566182866869
Energy: 0.9948544058548248
Energy: 0.9959299262131389
Energy: 0.9948544058560287
Energy: 1.0390880349855018
Energy: 1.1343378675831992
Energy: 1.0207301039675019
Energy: 1.1343378675844031
Energy: 1.0398835333608194
Energy: 1.1301223297663965
Energy: 0.9946745729209641
Energy: 1.1301223297663965
Energy: 0.9940854454174044
Energy: 0.9953509845211707
Energy: 0.9424516461277106
Energy: 0.9953509845211707
Energy: 0.9943548810104077
Energy: 0.9949884879860232
Energy: 0.9423799160269852
Energy: 0.994988487988431
Energy: 0.9431829238798491
Energy: 0.9963378021279374
Energy: 1.0327619006717694
Energy: 0.9963378021303451

minimum gb energy = 0.9421974215434007 eV
minimum distance =  2.28197383950819 Angstroms
sigma value = 25


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

Energy: 1.181869363521403
Energy: 1.0993264617065976
Energy: 1.10939469566751
Energy: 0.9921548631977736
Energy: 1.1097699488819066
Energy: 1.0761259909304222
Energy: 1.1102295782642817
Energy: 1.0761259909304222
Energy: 1.0967101788478042
Energy: 1.0984461342093292
Energy: 1.110342108422846
Energy: 1.0984461342093292
Energy: 1.0965332443402116
Energy: 1.076102600941815
Energy: 1.012116537274271
Energy: 1.076102600941815
Energy: 1.0591941616404394
Energy: 1.1516141413995937
Energy: 1.0124630535067607
Energy: 1.1516141413995937
Energy: 0.983197630455337
Energy: 1.0115012354545485
Energy: 1.0108097530391824
Energy: 1.0115012354545485
Energy: 0.9781358649959565
Energy: 1.0114646294750276
Energy: 1.0131802304584876
Energy: 1.0114646294750276
Energy: 0.978217721289188
Energy: 1.0767760526196806
Energy: 1.012844767798836
Energy: 1.0767760526196806
Energy: 1.0963109361845176
Energy: 1.0966870166777076
Energy: 1.2093544181086444
Energy: 1.0966870166777076
Energy: 1.1092375070849096
Energy: 0.9835678764019429
Energy: 1.20617181120153
Energy: 0.9835678764019429
Energy: 1.1102149939525756
Energy: 1.1092095211471154
Energy: 1.1095574162152544
Energy: 1.1092095211471154
Energy: 1.096138808393099
Energy: 0.9837629465462946
Energy: 1.0973581314436962
Energy: 0.9837629465462946
Energy: 1.0118119056299166
Energy: 1.1550031795846483
Energy: 1.0587460282398204
Energy: 1.1550031795846483
Energy: 1.0125914908123181
Energy: 1.0118069847726905
Energy: 0.9847987671401676
Energy: 1.0118069847756683
Energy: 1.0128359076048623
Energy: 1.0112936571878721
Energy: 0.9780463915125724
Energy: 1.0112936571848943
Energy: 1.011946986417925
Energy: 1.0764631918229859
Energy: 0.9781878278078199
Energy: 1.076463191821497
Energy: 1.212966677730988
Energy: 0.9840114938485754
Energy: 1.0951798723767963
Energy: 0.9840114938485754

minimum gb energy = 0.9780463915125724 eV
minimum distance =  2.32972725704527 Angstroms
sigma value = 17


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

Energy: 1.5711684873031642
Energy: 1.221230775356703
Energy: 1.2238332885641257
Energy: 1.1265203865622386
Energy: 1.0626303238832975
Energy: 1.096919453186956
Energy: 1.2162841893585488
Energy: 1.096919453187799
Energy: 1.0622056484424802
Energy: 1.0624318062566585
Energy: 1.2170779814236816
Energy: 1.0624318062566585
Energy: 1.0625799165271461
Energy: 1.0622533585816183
Energy: 1.0954236855761053
Energy: 1.0622533585807752
Energy: 1.0620910731888238
Energy: 1.1778190315686112
Energy: 1.104769104758444
Energy: 1.1778190315694546
Energy: 1.0629545348809741
Energy: 1.0819881094425257
Energy: 1.0625228800099351
Energy: 1.0819881089823367
Energy: 1.1112532344567105
Energy: 1.0607664766289435
Energy: 1.0644912154869557
Energy: 1.0607664766281004
Energy: 1.2846795352699285
Energy: 1.0956143223950874
Energy: 1.0629237491046315
Energy: 1.0956143223942443
Energy: 1.2160910392396846
Energy: 1.2172051902262155
Energy: 1.2183666961088322
Energy: 1.2172051902262155
Energy: 1.2003933769442223
Energy: 1.1827353346729397
Energy: 1.2146314184407558
Energy: 1.1827353346729397
Energy: 1.0617370623700162
Energy: 1.0341190346483502
Energy: 1.0308573277086104
Energy: 1.0341190346483502
Energy: 1.2178471327501093
Energy: 1.0620915474788726
Energy: 1.0589185422295126
Energy: 1.062091547479716
Energy: 1.1112834258734885
Energy: 1.0634516617789749
Energy: 1.0600419010498894
Energy: 1.0634516617789749
Energy: 1.1112901377146154
Energy: 1.03560714120846
Energy: 1.031992932158287
Energy: 1.035607141209303
Energy: 1.2003007572203672
Energy: 1.216517650148186
Energy: 1.2868273781824848
Energy: 1.216517650148186
Energy: 1.218137038177554
Energy: 1.2168458155028816
Energy: 1.2873639522456528
Energy: 1.216845815503725
Energy: 1.2003547757715693
Energy: 1.060821774892716
Energy: 1.0616157054846362
Energy: 1.060821774892716
Energy: 1.2004507029112512
Energy: 1.0607017581971085
Energy: 1.0620212943831373
Energy: 1.0607017581971085
Energy: 1.0616848914973247
Energy: 1.132187160093838
Energy: 1.0625232049660176
Energy: 1.1321871600946811
Energy: 1.1125453775085652
Energy: 1.1801723182564015
Energy: 1.0620606966339394
Energy: 1.1801723182555584
Energy: 1.061300580991835
Energy: 1.0966734983866324
Energy: 1.2582972120106894
Energy: 1.0966734983874755
Energy: 1.06222212408705
Energy: 1.0622963562814707
Energy: 1.1110260701957813
Energy: 1.0622963562814707
Energy: 1.1532681953142518
Energy: 1.1818743934740996
Energy: 1.2146636632500465
Energy: 1.1818743934740996
Energy: 1.21850084712185
Energy: 1.2004930153330264
Energy: 1.2008366549280738
Energy: 1.2004930153330264
Energy: 1.0604885786853702
Energy: 1.0630952352474192
Energy: 1.2009391688286069
Energy: 1.0630952352474192
Energy: 1.0594312214048407
Energy: 1.062129631164494
Energy: 1.0612706667149425
Energy: 1.062129631164494
Energy: 1.0307803347440245
Energy: 1.035013124509861
Energy: 1.1472592560714705
Energy: 1.035013124509018
Energy: 1.0599087317015217
Energy: 1.0614168818154655
Energy: 1.111650685028578
Energy: 1.0614168818146223
Energy: 1.0616563327726691
Energy: 1.0624616528427222
Energy: 1.1114920534151256
Energy: 1.062461652846095
Energy: 1.321945284971486
Energy: 1.200845704364372
Energy: 1.1997971034889587
Energy: 1.2008457043635288

minimum gb energy = 1.0307803347440245 eV
minimum distance =  2.32080977719596 Angstroms
sigma value = 53


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

Energy: 1.4458000850738182
Energy: 1.1420694874214226
Energy: 1.1436712075814248
Energy: 0.9980264872988857
Energy: 1.140920963285465
Energy: 1.0661897471238442
Energy: 1.1419287633325799
Energy: 1.0661897471257853
Energy: 1.1413487455552198
Energy: 1.1426357059088317
Energy: 1.1844608545125677
Energy: 1.1426357059107728
Energy: 1.1415485743931406
Energy: 1.066015787314789
Energy: 1.1417997721092814
Energy: 1.066015787314789
Energy: 1.1613912469121603
Energy: 1.0648325829749774
Energy: 0.9812654754251888
Energy: 1.0648325829749774
Energy: 1.140630161497851
Energy: 1.067489644882901
Energy: 0.9822140961709888
Energy: 1.067489644882901
Energy: 1.2930771965454975
Energy: 1.1416472615327364
Energy: 1.1414862201879035
Energy: 1.1416472615327364
Energy: 1.2907116721879486
Energy: 1.1405537066950457
Energy: 1.1390530639317167
Energy: 1.1405537066950457
Energy: 1.144712236612028
Energy: 1.1420791058322355
Energy: 1.1829694120732939
Energy: 1.1420791058322355
Energy: 1.1395936329238912
Energy: 1.1417106920122448
Energy: 1.1428162726157804
Energy: 1.1417106920122448
Energy: 1.1613179560738005
Energy: 1.0686439646179817
Energy: 0.9827225977167786
Energy: 1.0686439646179817
Energy: 1.1426703121231232
Energy: 1.0734833913401933
Energy: 0.9825746122833735
Energy: 1.0734833913382522
Energy: 1.290452106983921
Energy: 1.1408047130293837
Energy: 1.1386169539346858
Energy: 1.1408047130293837

minimum gb energy = 0.9812654754251888 eV
minimum distance =  2.31136018069738 Angstroms
sigma value = 9


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

Energy: 1.4118355594948102
Energy: 1.2609194179801169
Energy: 1.3247492216137078
Energy: 1.1769902181155487
Energy: 1.0715421780103007
Energy: 1.0712539100281318
Energy: 1.2845685502160684
Energy: 1.07125391002885
Energy: 1.0779747207449941
Energy: 1.073455658399736
Energy: 1.3100134114482713
Energy: 1.073455658399736
Energy: 1.0746796318484955
Energy: 1.072058506331664
Energy: 1.3648984604712775
Energy: 1.072058506335975
Energy: 1.0732945180143172
Energy: 1.0707241249242092
Energy: 1.3550311857535662
Energy: 1.0707241249227721
Energy: 1.0708338085758338
Energy: 1.0711703132336896
Energy: 1.3595461347147462
Energy: 1.0711703132322525
Energy: 1.3490364543725524
Energy: 1.2588917968317668
Energy: 1.2770404949228886
Energy: 1.2588917968303297
Energy: 1.3510465997248355
Energy: 1.2574251936648047
Energy: 1.2585778720394438
Energy: 1.2574251936640861
Energy: 1.114678446911586
Energy: 1.2066851593308265
Energy: 1.1488996678272891
Energy: 1.2066851593286714
Energy: 1.0744177212428498
Energy: 1.151864020436494
Energy: 1.2606480843442773
Energy: 1.1518640204372124
Energy: 1.1118414938203136
Energy: 1.111494431816525
Energy: 1.258085856305736
Energy: 1.1114944318172437
Energy: 1.1304296974895223
Energy: 1.121951656071742
Energy: 1.3911996323932314
Energy: 1.121951656071742
Energy: 1.3512360724532253
Energy: 1.1114889056418904
Energy: 1.134370888499468
Energy: 1.1114889056426087
Energy: 1.3489238808155843
Energy: 1.1123896722194546
Energy: 1.1176112030202832
Energy: 1.112389672218736
Energy: 1.2581468360384145
Energy: 1.1525165157450834
Energy: 1.1144279492091984
Energy: 1.152516515745802
Energy: 1.2226437824760024
Energy: 1.216113747187052
Energy: 1.1296744016090408
Energy: 1.2161137471877705
Energy: 1.2613798743996198
Energy: 1.183035039341609
Energy: 1.1150682767274356
Energy: 1.183035039340172
Energy: 1.2583834124548532
Energy: 1.2605334958520065
Energy: 1.3950131842956524
Energy: 1.2605334958520065
Energy: 1.2764703622966764
Energy: 1.1562489805742058
Energy: 1.0751433881940602
Energy: 1.156248980577798
Energy: 1.308922095719277
Energy: 1.0742444017159114
Energy: 1.0753357188933808
Energy: 1.0742444017159114
Energy: 1.3654685848424808
Energy: 1.0718328420328718
Energy: 1.0721568753483288
Energy: 1.0718328420328718
Energy: 1.3603509056343523
Energy: 1.070106180156224
Energy: 1.0714088866031972
Energy: 1.0701061801555054
Energy: 1.3551038403797766
Energy: 1.0652995569680703
Energy: 1.0706770460231967
Energy: 1.0652995569680703
Energy: 1.2779777900207798
Energy: 1.2581568935284189
Energy: 1.3486280247808844
Energy: 1.2581568935277005
Energy: 1.2590675421979713
Energy: 1.2576840410123091
Energy: 1.3494922380285839
Energy: 1.2576840410123091
Energy: 1.1501572092814116
Energy: 1.2043412609903474
Energy: 1.113782278503799
Energy: 1.2043412609917845
Energy: 1.2623219698836161
Energy: 1.1532505040195649
Energy: 1.0737071991213423
Energy: 1.1532505040188463
Energy: 1.258736342052985
Energy: 1.1120588667845677
Energy: 1.1129051643965995
Energy: 1.1120588667845677
Energy: 1.394607200991981
Energy: 1.1161163012076936
Energy: 1.1296684497830949
Energy: 1.1161163012091304
Energy: 1.1348358656188735
Energy: 1.1116004174229084
Energy: 1.352439581227273
Energy: 1.1116004174236267
Energy: 1.115861388899596
Energy: 1.113179817240326
Energy: 1.3063146443415783
Energy: 1.1131798172410445
Energy: 1.1138171119233646
Energy: 1.1528536122846211
Energy: 1.2581286614973648
Energy: 1.1528536122839026
Energy: 1.1545398266546787
Energy: 1.2124774744791362
Energy: 1.2230620828676333
Energy: 1.2124774744762623
Energy: 1.1138430186298052
Energy: 1.2077216143476939
Energy: 1.1650905817121782
Energy: 1.2077216143462568
Energy: 1.3932477763601576
Energy: 1.2598408012534252
Energy: 1.2583204397625527
Energy: 1.2598408012534252

minimum gb energy = 1.0652995569680703 eV
minimum distance =  2.29788267842566 Angstroms
sigma value = 73


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

Energy: 1.5102441902867634
Energy: 1.2160976853451173
Energy: 1.2153546207897303
Energy: 1.1523172449867822
Energy: 1.102330838653075
Energy: 1.0947598955940667
Energy: 1.223842401405152
Energy: 1.0947598956270979
Energy: 1.0968121971265585
Energy: 1.0959501754594119
Energy: 1.2818651630169948
Energy: 1.0959501754594119
Energy: 1.0962502166311108
Energy: 1.096628028417498
Energy: 1.3436545669278397
Energy: 1.096628028417498
Energy: 1.1018234384186274
Energy: 1.1012891593244134
Energy: 1.3321433775203557
Energy: 1.1012891593244134
Energy: 1.1758759712184497
Energy: 1.102341241566594
Energy: 1.3445930244886772
Energy: 1.102341241566594
Energy: 1.211717465400734
Energy: 1.3096556478757717
Energy: 1.3391207057486634
Energy: 1.3096556478757717
Energy: 1.2131953655400647
Energy: 1.250116011904814
Energy: 1.2501910510603587
Energy: 1.250116011904814
Energy: 1.160643158831626
Energy: 1.2291376278589752
Energy: 1.2785591585777316
Energy: 1.229137627860115
Energy: 1.153229496268872
Energy: 1.2349570195531967
Energy: 1.2509244177354526
Energy: 1.2349570195531967
Energy: 1.1608225697513508
Energy: 1.0695033367010043
Energy: 1.2512382113255405
Energy: 1.0695033367010043
Energy: 1.1395546505103795
Energy: 1.07285619947039
Energy: 1.3425313908453205
Energy: 1.07285619947039
Energy: 1.2655559522364361
Energy: 1.1396385451293485
Energy: 1.1297157658820267
Energy: 1.1396385451304885
Energy: 1.2806775239362376
Energy: 1.139706221239277
Energy: 1.1385545057586364
Energy: 1.139706221239277
Energy: 1.2631879592897037
Energy: 1.1305295281736452
Energy: 1.1475418644499542
Energy: 1.1305295281736452
Energy: 1.3321567345801006
Energy: 1.1326800954990879
Energy: 1.1321222295109934
Energy: 1.132680095497948
Energy: 1.3356461534298556
Energy: 1.1301373674381223
Energy: 1.1371420516484785
Energy: 1.1301373674381223
Energy: 1.2477416331829612
Energy: 1.3105509745479826
Energy: 1.211599522297201
Energy: 1.3105509745479826
Energy: 1.2231727399931107
Energy: 1.2302082924239877
Energy: 1.2125765710374896
Energy: 1.2302082924239877
Energy: 1.2353615846653436
Energy: 1.2015685861078373
Energy: 1.2133739411224487
Energy: 1.2015685861078373
Energy: 1.2221671365775428
Energy: 1.2790879930203096
Energy: 1.1550393339154237
Energy: 1.2790879930203096
Energy: 1.344943289966639
Energy: 1.2140729253102438
Energy: 1.2162089004335528
Energy: 1.2140729253102438

minimum gb energy = 1.0695033367010043 eV
minimum distance =  2.28803097965097 Angstroms
sigma value = 7


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

Energy: 1.2369907810927403
Energy: 1.2286606448064952
Energy: 1.3457652706912038
Energy: 1.1760232441382625
Energy: 1.1190825612147601
Energy: 1.2769802452113241
Energy: 1.298957719585928
Energy: 1.2769802452129362
Energy: 1.1363427050064872
Energy: 1.11876236796542
Energy: 1.2605859369475234
Energy: 1.1187623680757721
Energy: 1.1186279986063012
Energy: 1.116931627650081
Energy: 1.2965975140874244
Energy: 1.116931627649275
Energy: 1.1190516140978977
Energy: 1.1151358603303723
Energy: 1.3619685529167427
Energy: 1.115135860331178
Energy: 1.1817200223294624
Energy: 1.1149641814465978
Energy: 1.3578051700579208
Energy: 1.1149641814465978
Energy: 1.322058588407247
Energy: 1.1153805061653213
Energy: 1.2521185728341957
Energy: 1.1153805061677393
Energy: 1.2844342731079132
Energy: 1.1136338581230407
Energy: 1.1132487054255304
Energy: 1.1136338581230407
Energy: 1.3345126625025179
Energy: 1.1199252078115631
Energy: 1.1202766633442103
Energy: 1.1199252078115631
Energy: 1.3639929583721533
Energy: 1.1907657353759558
Energy: 1.1156813221898825
Energy: 1.1907657353759558
Energy: 1.32968758677905
Energy: 1.254417739161306
Energy: 1.1738418604415364
Energy: 1.2544177391605
Energy: 1.2656024224273323
Energy: 1.2603720782646315
Energy: 1.3245849280141437
Energy: 1.2603720782630194
Energy: 1.2632401011549217
Energy: 1.2604253034445025
Energy: 1.183927297452344
Energy: 1.2604253034445025
Energy: 1.2590742855921662
Energy: 1.230909840288805
Energy: 1.1746016469865554
Energy: 1.230909840289611
Energy: 1.2570667094660042
Energy: 1.173577918777081
Energy: 1.1735406418176564
Energy: 1.173577918777081
Energy: 1.2760042004245358
Energy: 1.1208634270462525
Energy: 1.1954243850461221
Energy: 1.1208634270462525
Energy: 1.3058088936670662
Energy: 1.1174584571391983
Energy: 1.3227107598985726
Energy: 1.1174584571400044
Energy: 1.1485716452865486
Energy: 1.2064937214660316
Energy: 1.2607426277725442
Energy: 1.2064937214644196
Energy: 1.1496001290751796
Energy: 1.1508682122366318
Energy: 1.239308296223009
Energy: 1.1508682122398561
Energy: 1.1462109692479485
Energy: 1.1458206424465263
Energy: 1.2375857636212428
Energy: 1.1458206424473323
Energy: 1.2136469297620571
Energy: 1.150510700796075
Energy: 1.36240189353277
Energy: 1.1505107007968811
Energy: 1.3460988491882908
Energy: 1.1191518559056808
Energy: 1.3174557647389245
Energy: 1.119151855904069
Energy: 1.34098318016707
Energy: 1.1197649753716148
Energy: 1.1227384878784075
Energy: 1.1197649753732264
Energy: 1.3258734281205204
Energy: 1.117164454794139
Energy: 1.119126896219907
Energy: 1.117164454794139
Energy: 1.3624773715286833
Energy: 1.1186786804513131
Energy: 1.1265668686175576
Energy: 1.118678680449701
Energy: 1.3446493507148687
Energy: 1.278513844351747
Energy: 1.124989971970326
Energy: 1.2785138443501352
Energy: 1.2265008816201763
Energy: 1.2360525241690299
Energy: 1.639190424489401
Energy: 1.2360525241690299
Energy: 1.224048656987982
Energy: 1.2264456214771928
Energy: 1.2224687773220335
Energy: 1.2264456214756174
Energy: 1.2220724717520535
Energy: 1.1991399498699904
Energy: 1.2251141400920964
Energy: 1.1991399498683786
Energy: 1.2223486384506668
Energy: 1.2217579960410343
Energy: 1.1736024151215485
Energy: 1.2217579960402287
Energy: 1.2374982990286036
Energy: 1.221456380350976
Energy: 1.2249170650734875
Energy: 1.2214563803517822

minimum gb energy = 1.1132487054255304 eV
minimum distance =  2.27517718442726 Angstroms
sigma value = 29


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

Energy: 1.0742361564900582
Energy: 1.180309246618092
Energy: 1.113203310168065
Energy: 1.074598482644716
Energy: 1.109079709665429
Energy: 1.2141806355604228
Energy: 1.1056071305540163
Energy: 1.2141806355598608
Energy: 1.108602807644413
Energy: 1.175511491073662
Energy: 1.079464162879238
Energy: 1.175511491073662
Energy: 1.0802962567653285
Energy: 1.0969679451215169
Energy: 1.1116454535569558
Energy: 1.096967945121236
Energy: 1.1098190632973135
Energy: 1.0998261543104315
Energy: 1.0790380854696797
Energy: 1.09982615430987
Energy: 1.1129619805004893
Energy: 1.1977177946118203
Energy: 1.0791795886804483
Energy: 1.1977177946123818
Energy: 1.0799484987705392
Energy: 1.1745234571665737
Energy: 1.1097024728367035
Energy: 1.1745234571660434
Energy: 1.1059983736135064
Energy: 1.1085174640253084
Energy: 1.1189099400150675
Energy: 1.1085174640258386
Energy: 1.1192336056894672
Energy: 1.1083532616295313
Energy: 1.1074822051807112
Energy: 1.1083532616295313

minimum gb energy = 1.0742361564900582 eV
minimum distance =  2.2918949129279 Angstroms
sigma value = 5


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

Energy: 1.4238358418690935
Energy: 1.05740460168274
Energy: 1.2762033880399308
Energy: 1.0262437793869017
Energy: 1.2897311684960509
Energy: 1.061063831819469
Energy: 1.2642006481368644
Energy: 1.061063831819469
Energy: 1.2437679382062468
Energy: 1.1511695823843051
Energy: 1.242531950671934
Energy: 1.1511695823850665
Energy: 1.080804524562914
Energy: 1.0552024083315903
Energy: 1.21574432717821
Energy: 1.0552024083300675
Energy: 1.2145972460114267
Energy: 1.0551189126415452
Energy: 1.2386141162581543
Energy: 1.0551189126415452
Energy: 1.0589811187340203
Energy: 1.0584203262089638
Energy: 1.239053739846344
Energy: 1.0584203262089638
Energy: 1.0552743486642855
Energy: 1.053869377451989
Energy: 1.2168011189300758
Energy: 1.0538693774512276
Energy: 1.077158770058506
Energy: 1.0612466410483377
Energy: 1.3921089723281195
Energy: 1.0612466410483377
Energy: 1.1579875753397635
Energy: 1.0962647933852967
Energy: 1.3756767945687753
Energy: 1.0962647933852967
Energy: 1.2501614805732928
Energy: 1.029856863410364
Energy: 1.0312258233189147
Energy: 1.0298568634111254
Energy: 1.1583660838056506
Energy: 1.0303937039452933
Energy: 1.0308350002187663
Energy: 1.0303937039452933
Energy: 1.3926336777509947
Energy: 1.030679684677762
Energy: 1.0338797213295217
Energy: 1.030679684677762
Energy: 1.3995206811664809
Energy: 1.0306211060333392
Energy: 1.2144534136643386
Energy: 1.0306211060341006
Energy: 1.0828581782982172
Energy: 1.0987575268974537
Energy: 1.2402604248597775
Energy: 1.0987575268974537
Energy: 1.0563188980724407
Energy: 1.0555246613795415
Energy: 1.240332635366538
Energy: 1.0555246613795415
Energy: 1.061877750749126
Energy: 1.059292013329408
Energy: 1.2881160121774642
Energy: 1.0592920133286465
Energy: 1.0538753710262856
Energy: 1.0533153941855962
Energy: 1.0780943488696733
Energy: 1.0533153941840734
Energy: 1.2167344944382146
Energy: 1.0635686210797022
Energy: 1.2359451553855745
Energy: 1.0635686210789408
Energy: 1.2545529678263423
Energy: 1.1519185632405289
Energy: 1.227950223016893
Energy: 1.1519185632412905
Energy: 1.2186302854507727
Energy: 1.0536455720597033
Energy: 1.0785913751510614
Energy: 1.0536455720597033
Energy: 1.240734098938953
Energy: 1.0588669981706746
Energy: 1.2169167699150252
Energy: 1.058866998171436
Energy: 1.2385251793246237
Energy: 1.05442221759711
Energy: 1.0540540837646262
Energy: 1.0544222175963487
Energy: 1.215951704542802
Energy: 1.0547086071812928
Energy: 1.0594720360110432
Energy: 1.0547086071812928
Energy: 1.399164314990866
Energy: 1.0598090749613491
Energy: 1.0625359210245586
Energy: 1.0598090749613491
Energy: 1.3928185609515078
Energy: 1.0953064831512476
Energy: 1.1582252715596875
Energy: 1.0953064831504864
Energy: 1.0322987075464949
Energy: 1.1804822864763294
Energy: 1.2500509906393598
Energy: 1.1804822864763294
Energy: 1.0307009652742376
Energy: 1.0297726149306012
Energy: 1.1582181096756585
Energy: 1.0297726149298398
Energy: 1.031465903021421
Energy: 1.0297887670162702
Energy: 1.1251004429706022
Energy: 1.0297887670155088
Energy: 1.28733006231451
Energy: 1.0299263368928473
Energy: 1.4223579700755566
Energy: 1.0299263368936085
Energy: 1.2396412433156316
Energy: 1.0977668360301518
Energy: 1.0823098559697362
Energy: 1.0977668360301518
Energy: 1.2398317111898602
Energy: 1.0573989237034551
Energy: 1.0599223623461023
Energy: 1.0573989237034551
Energy: 1.2153360724690168
Energy: 1.0594530948567373
Energy: 1.0597546076753432
Energy: 1.0594530948567373
Energy: 1.080000707137235
Energy: 1.0535205639887277
Energy: 1.0528826338471937
Energy: 1.0535205639887277

minimum gb energy = 1.0262437793869017 eV
minimum distance =  2.27586560044321 Angstroms
sigma value = 1


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

Energy: 1.5144318166961233
Energy: 1.0048183901072283
Energy: 1.2279402446616354
Energy: 0.9722959516024469
Energy: 1.2365822360555954
Energy: 1.0073652136519224
Energy: 1.2411713215839786
Energy: 1.0073652136508695
Energy: 1.2479614516498432
Energy: 1.1264307239526836
Energy: 1.2539052385087182
Energy: 1.1264307239537366
Energy: 1.0306910514646166
Energy: 1.0044618279763158
Energy: 1.2349862316816687
Energy: 1.0044618279752628
Energy: 1.2332365263350284
Energy: 1.0034265369220077
Energy: 1.2578802980617165
Energy: 1.0034265369230602
Energy: 1.0034542213369604
Energy: 1.0048192923410584
Energy: 1.2571208906783997
Energy: 1.0048192923421113
Energy: 1.0013691134449532
Energy: 1.0019453923733233
Energy: 1.3418820091749408
Energy: 1.0019453923722705
Energy: 1.0221303667826478
Energy: 1.0089874635246847
Energy: 1.4301081988349413
Energy: 1.0089874635246847
Energy: 1.2370692035745992
Energy: 1.0593898154778014
Energy: 1.4308329329155607
Energy: 1.0593898154778014
Energy: 1.2716786600414827
Energy: 1.0118186880077369
Energy: 1.0078620384687957
Energy: 1.0118186880077369
Energy: 1.3427930772259467
Energy: 1.0015374786238966
Energy: 1.000393295174247
Energy: 1.0015374786238966
Energy: 1.430513217896524
Energy: 1.0060834497733901
Energy: 1.0054511147372964
Energy: 1.0060834497733901
Energy: 1.432984914346111
Energy: 1.0027928206061847
Energy: 1.2325693066759016
Energy: 1.0027928206072374
Energy: 1.3413665600454372
Energy: 1.0047952539867901
Energy: 1.2494673355491885
Energy: 1.0047952539878429
Energy: 1.0341937372025298
Energy: 1.12548568002712
Energy: 1.247357129686342
Energy: 1.12548568002712
Energy: 1.0317467553834918
Energy: 1.0059456445655297
Energy: 1.342915861282626
Energy: 1.0059456445655297
Energy: 1.0049319724545767
Energy: 1.002878970333729
Energy: 1.2592976842490573
Energy: 1.002878970333729
Energy: 1.0099247939983003
Energy: 1.0099551424122517
Energy: 1.2323791355952787
Energy: 1.0099551424122517
Energy: 1.0012230886999143
Energy: 1.001834445463039
Energy: 1.4305032768598054
Energy: 1.001834445463039
Energy: 1.0065244669240763
Energy: 1.061422755314859
Energy: 1.4311449885557375
Energy: 1.061422755313806
Energy: 1.2445443175775754
Energy: 1.0608233775882057
Energy: 1.342306571091429
Energy: 1.0608233775882057
Energy: 1.2583409243994124
Energy: 1.0058727419975693
Energy: 1.0084582558932005
Energy: 1.0058727419975693
Energy: 1.341295301533938
Energy: 1.0047540589810253
Energy: 1.0058033534589996
Energy: 1.0047540589789197
Energy: 1.431174630753742
Energy: 1.0025482324310073
Energy: 1.0015438038794893
Energy: 1.0025482324320363

minimum gb energy = 0.9722959516024469 eV
minimum distance =  2.28344071185486 Angstroms
sigma value = 17


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

Energy: 1.611317733650033
Energy: 0.9960831832124021
Energy: 1.223838464762618
Energy: 0.9730463862462828
Energy: 1.1252533909721225
Energy: 0.998143019618114
Energy: 1.1584102579949285
Energy: 0.998143019618114
Energy: 1.259202062681574
Energy: 0.9908337702123304
Energy: 1.156983756366001
Energy: 0.9908337702129811
Energy: 1.3005412991629157
Energy: 1.0543791546992958
Energy: 1.1312537647855165
Energy: 1.054379154698645
Energy: 1.2473430329828563
Energy: 0.9734679967620651
Energy: 1.4079180293792801
Energy: 0.9734679967620651
Energy: 0.9745115024105854
Energy: 0.9729443878656927
Energy: 1.1307942937169837
Energy: 0.9729443878643913
Energy: 0.9743650692179784
Energy: 0.973708096370767
Energy: 1.0113225578689524
Energy: 0.9737080963720685
Energy: 0.9761149750441831
Energy: 0.9740217753517999
Energy: 1.2351160999941813
Energy: 0.9740217753517999
Energy: 1.25182502019107
Energy: 0.9732390359190191
Energy: 1.0127808875349362
Energy: 0.9732390359203204
Energy: 1.154737704723466
Energy: 1.055399189390788
Energy: 1.1341287772902082
Energy: 1.0553991893914387
Energy: 1.250429869522913
Energy: 0.9902290542300286
Energy: 1.007258791410806
Energy: 0.99022905423133
Energy: 1.1283017704169596
Energy: 0.9923249962439192
Energy: 1.133656685930674
Energy: 0.9923249962432686
Energy: 1.1237514351521918
Energy: 0.9896409819361373
Energy: 0.9908803844542418
Energy: 0.9896409819380894
Energy: 1.1253778690655192
Energy: 0.9923128676391553
Energy: 0.994429464480944
Energy: 0.9923128676372032
Energy: 1.2956313848804666
Energy: 0.996039700374835
Energy: 1.0007459687407327
Energy: 0.996039700374835
Energy: 1.2485317098479023
Energy: 1.029313557931899
Energy: 1.1285644769880243
Energy: 1.0293135579312482
Energy: 0.9915974809007906
Energy: 1.1424017175067165
Energy: 1.399017595900051
Energy: 1.1424017175067165
Energy: 0.9912844927825902
Energy: 0.9910210535210394
Energy: 1.131989748971635
Energy: 0.9910210535216901
Energy: 0.995477541170218
Energy: 0.9988972067335934
Energy: 1.0103273092979108
Energy: 0.9988972067335934
Energy: 1.1442161973319975
Energy: 0.9917123237945917
Energy: 1.4598343541232335
Energy: 0.9917123237913383
Energy: 1.1429778513630076
Energy: 0.9964218525847718
Energy: 1.1243437435423393
Energy: 0.9964218525841212
Energy: 1.157554938819882
Energy: 0.9925748984848627
Energy: 1.2743544409254064
Energy: 0.9925748984874654
Energy: 1.0101292400079696
Energy: 1.0531555107044757
Energy: 1.2968614030308567
Energy: 1.0531555107038248
Energy: 1.386458560913665
Energy: 0.9743251308843633
Energy: 1.245288238626535
Energy: 0.974325130883062
Energy: 1.128945531246146
Energy: 0.9731933438671602
Energy: 0.9742065480114956
Energy: 0.9731933438658588
Energy: 1.012431566761391
Energy: 0.9740848563634503
Energy: 0.9742827583987949
Energy: 0.9740848563634503
Energy: 1.234422969786495
Energy: 0.9725246733694481
Energy: 0.9761790909481927
Energy: 0.9725246733700987
Energy: 1.0110226842164272
Energy: 0.9740001094085677
Energy: 1.252874024059514
Energy: 0.9740001094105198
Energy: 1.15565069774839
Energy: 1.0559975539651103
Energy: 1.1560332814158616
Energy: 1.0559975539651103
Energy: 1.0085509732085909
Energy: 0.9905562316497248
Energy: 1.2481721892014097
Energy: 0.9905562316503755
Energy: 1.132029426872469
Energy: 0.9904153072491696
Energy: 1.1279395763607485
Energy: 0.9904153072491696
Energy: 0.9906304109843795
Energy: 0.9898520791029445
Energy: 1.2439514338515338
Energy: 0.9898520791035952
Energy: 0.9911945394362821
Energy: 0.9908310401825795
Energy: 1.1265608946883061
Energy: 0.9908310401832302
Energy: 1.0116499282336833
Energy: 0.9972208482954917
Energy: 1.3012044024034526
Energy: 0.9972208482967931
Energy: 1.1310540778503104
Energy: 1.027209079570887
Energy: 1.2473535289595052
Energy: 1.027209079570887
Energy: 1.458063718257282
Energy: 0.9985532747915777
Energy: 0.9931039534834172
Energy: 0.998553274790927
Energy: 1.1305414142256225
Energy: 0.9908869558446602
Energy: 0.9901129745305723
Energy: 0.9908869558446602
Energy: 1.009257269699493
Energy: 0.994153831554747
Energy: 0.9945912902406987
Energy: 0.9941538315540963

minimum gb energy = 0.9725246733694481 eV
minimum distance =  2.27493478200021 Angstroms
sigma value = 89


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

Energy: 1.7105982026402122
Energy: 0.9140144678756881
Energy: 0.9163122135383478
Energy: 0.9067729119252418
Energy: 0.917545380865458
Energy: 1.0112989774236818
Energy: 0.9167029439659257
Energy: 1.0112989774236818
Energy: 0.914320747733055
Energy: 1.0124546532901055
Energy: 0.9349080666382765
Energy: 1.0124546532901055
Energy: 0.9066277539648876
Energy: 1.018581437416819
Energy: 0.9133125498485435
Energy: 1.018581437416819
Energy: 0.9125568122076876
Energy: 0.9136311742281191
Energy: 0.9257794187389847
Energy: 0.9136311742281191
Energy: 0.9238976191744016
Energy: 0.9122526555835087
Energy: 0.9247420460992147
Energy: 0.9122526555835087
Energy: 0.9132476382740369
Energy: 0.911269646420595
Energy: 0.9150134224475742
Energy: 0.911269646420595
Energy: 0.9123778606663465
Energy: 0.918479250276754
Energy: 0.9044671144007519
Energy: 0.918479250276754
Energy: 0.9186153509034364
Energy: 0.9118433083355257
Energy: 0.9050973835402315
Energy: 0.9118433083355257
Energy: 0.9402069088404936
Energy: 1.013822378082846
Energy: 0.9177011166939701
Energy: 1.013822378082846
Energy: 0.9148653205681847
Energy: 1.0030117170386725
Energy: 0.9038161547141942
Energy: 1.0030117170386725
Energy: 0.9055471714813493
Energy: 0.91150933309528
Energy: 0.9158589454446338
Energy: 0.91150933309528
Energy: 0.9251339867627406
Energy: 0.9162520230459271
Energy: 0.9127440531626375
Energy: 0.9162520230459271
Energy: 0.9138515635305957
Energy: 0.9106958236912605
Energy: 0.9111945669468232
Energy: 0.9106958236912605
Energy: 0.9051193679544988
Energy: 0.9143352734582412
Energy: 0.9151767844737019
Energy: 0.9143352734582412

minimum gb energy = 0.9038161547141942 eV
minimum distance =  2.29642824707589 Angstroms
sigma value = 13


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

Energy: 1.503833664143781
Energy: 0.8465536505470782
Energy: 1.0961662714578695
Energy: 0.8367526612555556
Energy: 1.1270218684674629
Energy: 0.8480909688803662
Energy: 1.00409700865692
Energy: 0.8480909688832204
Energy: 1.1284705806790403
Energy: 0.8450918996923722
Energy: 1.0114872487357196
Energy: 0.8450918996937994
Energy: 1.1644645155550355
Energy: 0.8477636521327929
Energy: 1.1268005198398219
Energy: 0.8477636521356472
Energy: 1.1296602976047507
Energy: 0.8472037527174621
Energy: 1.1484174144748553
Energy: 0.8472037527188893
Energy: 0.9963890262609945
Energy: 0.8466859188106187
Energy: 1.131770361657742
Energy: 0.8466859188099052
Energy: 0.9959285215830896
Energy: 0.844902317057344
Energy: 1.1255058390074544
Energy: 0.8449023170580575
Energy: 0.997095600689089
Energy: 0.8441221785178913
Energy: 0.9961742508915012
Energy: 0.8441221785193185
Energy: 0.842942633730045
Energy: 0.8471157616249574
Energy: 1.1398598532577984
Energy: 0.8471157616242438
Energy: 0.8439001320024513
Energy: 0.8448651062813786
Energy: 1.1362798716618348
Energy: 0.8448651062778105
Energy: 0.84658748650839
Energy: 0.8445868419393073
Energy: 1.5050215204144695
Energy: 0.8445868419421617
Energy: 1.133857475768695
Energy: 0.9010435669015117
Energy: 1.1334847306566493
Energy: 0.9010435668986574
Energy: 1.1524123838186542
Energy: 0.8986567241974256
Energy: 1.131253292358888
Energy: 0.8986567241967118
Energy: 1.1292134861967982
Energy: 0.8955254556298694
Energy: 1.1654104119243711
Energy: 0.8955254556320101
Energy: 1.12551384671414
Energy: 0.8469700529412366
Energy: 1.1262268396127433
Energy: 0.8469700529426639
Energy: 1.1247570906009527
Energy: 0.846755259887972
Energy: 0.8556137528235563
Energy: 0.846755259884404
Energy: 1.1262836244665375
Energy: 0.8449393989340627
Energy: 0.845614546143996
Energy: 0.84493939893549
Energy: 1.1271494023225614
Energy: 0.8443670903934005
Energy: 0.8473927338921929
Energy: 0.8443670903919733
Energy: 1.125868593200382
Energy: 0.8524507120908011
Energy: 0.9912744580296553
Energy: 0.8524507120886604
Energy: 1.135826425237759
Energy: 0.8432014870848276
Energy: 1.0102779479351593
Energy: 0.8432014870869682
Energy: 1.167199961873629
Energy: 0.8444124856307965
Energy: 0.9920662395095541
Energy: 0.844412485630083
Energy: 1.1320884411804026
Energy: 0.8443343729706484
Energy: 1.1311316655125438
Energy: 0.8443343729627991
Energy: 1.0030120989356104
Energy: 0.8462677201941952
Energy: 1.1520564236715647
Energy: 0.8462677201949087
Energy: 0.8528260536758944
Energy: 0.8430269400894479
Energy: 1.126984225224072
Energy: 0.8430269400887342
Energy: 0.9933793228853415
Energy: 0.846727788179984
Energy: 1.1259621827304438
Energy: 0.846727788179984
Energy: 0.8458260355697825
Energy: 0.8436770136141419
Energy: 1.124986074526521
Energy: 0.843677013615569
Energy: 0.845208274102553
Energy: 0.8434908829067582
Energy: 1.130945098519075
Energy: 0.8434908829060446
Energy: 0.8433249833232793
Energy: 0.848645214817541
Energy: 1.1194607373082026
Energy: 0.8486452148196818
Energy: 1.1285171252529915
Energy: 0.844196170185125
Energy: 1.1363895837935218
Energy: 0.844196170185125
Energy: 1.0091544325557606
Energy: 0.8958352590671365
Energy: 1.1277311964538619
Energy: 0.8958352590649956
Energy: 1.1275232055592634
Energy: 0.8971729378302677
Energy: 1.1688414117500459
Energy: 0.8971729378309813
Energy: 1.1255912019477017
Energy: 0.8462710331833418
Energy: 1.1265977980460922
Energy: 0.8462710331854826
Energy: 1.1252492559450933
Energy: 0.8481722147322489
Energy: 0.8544367633115385
Energy: 0.8481722147322489
Energy: 1.3349958570606915
Energy: 0.843761941609976
Energy: 0.8437750460732031
Energy: 0.8437619416121168
Energy: 1.1259331344669024
Energy: 0.8458927433424609
Energy: 0.8491068781269172
Energy: 0.8458927433446016

minimum gb energy = 0.8367526612555556 eV
minimum distance =  2.29179462240978 Angstroms
sigma value = 37


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

Energy: 1.4674090010408907
Energy: 0.7879065223478334
Energy: 0.7883997092091642
Energy: 0.7733995192933184
Energy: 1.2627207877562618
Energy: 0.7858748733850514
Energy: 1.0327533620112421
Energy: 0.7858748733850514
Energy: 1.2434864602650513
Energy: 0.7841513621369777
Energy: 1.0305782787779578
Energy: 0.7841513621382054
Energy: 1.2422448168658906
Energy: 0.8926383558964095
Energy: 1.1470649418421326
Energy: 0.8926383558964095
Energy: 1.258789540393217
Energy: 0.7720490309032683
Energy: 1.146797266753346
Energy: 0.7720490309032683
Energy: 1.0442545754469161
Energy: 0.7721334587615414
Energy: 1.0104827549636284
Energy: 0.7721334587615414
Energy: 0.9045382576208556
Energy: 0.7705555815849129
Energy: 1.24179773505744
Energy: 0.7705555815836853
Energy: 1.0231254738705962
Energy: 0.7668931513952439
Energy: 1.161979022726136
Energy: 0.7668931513964716
Energy: 0.8872564241184653
Energy: 0.7681311758522656
Energy: 1.2420393232103037
Energy: 0.7681311758522656
Energy: 0.8871914324676284
Energy: 0.7619125065788368
Energy: 1.2403707845795233
Energy: 0.761912506577609
Energy: 0.9202201140018996
Energy: 0.919425114022011
Energy: 1.3135036092183194
Energy: 0.919425114022011
Energy: 1.1284474086777232
Energy: 0.7618078982925577
Energy: 1.2404005859340526
Energy: 0.7618078982925577
Energy: 1.1283170576945676
Energy: 0.7615102847655092
Energy: 1.2429519192894996
Energy: 0.7615102847667369
Energy: 1.2589018588382066
Energy: 0.8697463038476111
Energy: 1.2420613697016756
Energy: 0.8697463038476111
Energy: 1.1467972667521182
Energy: 0.8777188239551584
Energy: 1.2411810560535235
Energy: 0.8777188239539306
Energy: 1.2597887840978863
Energy: 0.8767686869977219
Energy: 0.7670539033749899
Energy: 0.8767686869977219
Energy: 1.2595878517889296
Energy: 0.8674478118373075
Energy: 0.9049078294522965
Energy: 0.8674478118373075
Energy: 1.1619790232857163
Energy: 0.7846361358612761
Energy: 0.7718476033353203
Energy: 0.7846361358600484
Energy: 1.2420393232115314
Energy: 0.7845437272811038
Energy: 0.7855020263474675
Energy: 0.7845437272811038
Energy: 1.262867545182807
Energy: 0.7859730032942764
Energy: 0.7901322233871615
Energy: 0.7859730032942764

minimum gb energy = 0.7615102847655092 eV
minimum distance =  2.286540107089 Angstroms
sigma value = 25


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

Energy: 1.5243415693574411
Energy: 0.684402171041185
Energy: 0.9545580397688327
Energy: 0.681830265528806
Energy: 1.4312394385930005
Energy: 0.6804291175626254
Energy: 0.8865563226851373
Energy: 0.6804291175626254
Energy: 1.4191014826360067
Energy: 0.679445538094732
Energy: 0.8853326484007668
Energy: 0.6794455380937734
Energy: 1.1619362397208686
Energy: 0.6874193261855537
Energy: 1.0249057512445017
Energy: 0.6874193261855537
Energy: 1.4279071083933514
Energy: 0.7649775453309647
Energy: 1.2582954698798252
Energy: 0.7649775453319235
Energy: 1.1641294078386202
Energy: 0.7634355547973602
Energy: 1.2555035728191408
Energy: 0.7634355547983189
Energy: 1.1681441412731208
Energy: 0.6729233415981849
Energy: 1.335703640619452
Energy: 0.6729233415991436
Energy: 1.0816662952777318
Energy: 0.6800451188372971
Energy: 1.3301931216458442
Energy: 0.6800451188363384
Energy: 0.8862640421172061
Energy: 0.6736698412461236
Energy: 1.250631170149992
Energy: 0.6736698412451649
Energy: 0.8858576623161228
Energy: 0.6747204207762122
Energy: 1.4133659621889931
Energy: 0.674720420774295
Energy: 0.7728455734052339
Energy: 0.6690382654944086
Energy: 1.4387802273320476
Energy: 0.6690382654934499
Energy: 0.7755893061543583
Energy: 0.6751922552330164
Energy: 1.4130273503367954
Energy: 0.6751922552339751
Energy: 0.7754364763420233
Energy: 0.6707714408776024
Energy: 1.4125282349123836
Energy: 0.6707714408785612
Energy: 0.9862744155771354
Energy: 0.6684209404572505
Energy: 1.4102506012176943
Energy: 0.6684209404572505
Energy: 0.9753900077529911
Energy: 0.6684760270348695
Energy: 1.4188597766243036
Energy: 0.6684760270348695
Energy: 0.9745900521442392
Energy: 0.6693148565957754
Energy: 1.423765789117324
Energy: 0.6693148565938579
Energy: 1.244442403178956
Energy: 0.6717049401392646
Energy: 1.3366326869263911
Energy: 0.6717049401392646
Energy: 0.9839323433433678
Energy: 0.7623316418154398
Energy: 1.1695485723138779
Energy: 0.7623316418135223
Energy: 1.2427085494314265
Energy: 0.758836384036375
Energy: 1.167167525656337
Energy: 0.7588363840382922
Energy: 1.4304824825137068
Energy: 0.7578949333674377
Energy: 1.1648581947412802
Energy: 0.7578949333664791
Energy: 1.3308047302887196
Energy: 0.6844583537492046
Energy: 0.887486069333639
Energy: 0.6844583537492046
Energy: 1.4304593274836899
Energy: 0.6783259306289019
Energy: 0.7761069857134562
Energy: 0.6783259306279433
Energy: 1.4128364178814155
Energy: 0.6833095000885734
Energy: 0.8801075061594736
Energy: 0.683309500089532
Energy: 1.3303308558909872
Energy: 0.6885065431215808
Energy: 0.68081882861925
Energy: 0.6885065431215808
Energy: 1.4279507939981433
Energy: 0.6794523496726822
Energy: 0.6807219652826069
Energy: 0.6794523496726822
Energy: 1.4159318741715377
Energy: 0.6877213165482666
Energy: 0.6847975112532526
Energy: 0.6877213165482666

minimum gb energy = 0.6684209404572505 eV
minimum distance =  2.2891247168306 Angstroms
sigma value = 41


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

Energy: 1.5489002906287115
Energy: 0.6062719428799634
Energy: 0.6080596650549075
Energy: 0.6121172780638456
Energy: 1.5338974326207018
Energy: 0.6044316057187064
Energy: 0.7721063258230088
Energy: 0.6044316057187064
Energy: 1.5303446245352414
Energy: 0.6022810203606458
Energy: 0.7767868962967882
Energy: 0.6022810203614317
Energy: 1.2550284301819712
Energy: 0.6109658800974608
Energy: 1.1042258254424009
Energy: 0.6109658800982467
Energy: 1.5284251932868689
Energy: 0.600573340214963
Energy: 1.0988100001981707
Energy: 0.600573340216535
Energy: 1.2448279581973196
Energy: 0.6031785882756769
Energy: 1.0956811566415485
Energy: 0.6031785882756769
Energy: 1.24955333521034
Energy: 0.6739702495796689
Energy: 1.3860680869356412
Energy: 0.6739702495749532
Energy: 1.2502321533794132
Energy: 0.6773460040144236
Energy: 1.0996792611736976
Energy: 0.6773460040128516
Energy: 0.9426224190627163
Energy: 0.6019162887676738
Energy: 1.3880139619838452
Energy: 0.6019162887668879
Energy: 0.9430150606818396
Energy: 0.6009374047085115
Energy: 1.3961961610611275
Energy: 0.6009374047085115
Energy: 0.7839499748243801
Energy: 0.6097895593132707
Energy: 1.3844588509970805
Energy: 0.6097895593124848
Energy: 0.7729961054252309
Energy: 0.6009267046049502
Energy: 1.5317081764511256
Energy: 0.6009267046049502
Energy: 0.7752562891774135
Energy: 0.6047363284886277
Energy: 1.53277337315005
Energy: 0.6047363284894135
Energy: 0.6108532184509573
Energy: 0.6073113012107328
Energy: 1.3966195622571251
Energy: 0.6073113012115187
Energy: 0.6033452610813957
Energy: 0.6031905441156674
Energy: 1.531281505963931
Energy: 0.6031905441148815
Energy: 0.6074130214093151
Energy: 0.6044104813219818
Energy: 1.5340691303903267
Energy: 0.6044104813227676
Energy: 0.7813719116357516
Energy: 0.607901209240312
Energy: 1.5361542101471777
Energy: 0.607901209240312
Energy: 0.7724960412700902
Energy: 0.6016015763770575
Energy: 1.5301420115816315
Energy: 0.6016015763762714
Energy: 0.7767022780541792
Energy: 0.6064667008327682
Energy: 1.2489271044217471
Energy: 0.6064667008327682
Energy: 1.0982990666987966
Energy: 0.6050191193739071
Energy: 1.2461735693661355
Energy: 0.6050191193754789
Energy: 1.1047041586291493
Energy: 0.6016008638704653
Energy: 1.3862582740792861
Energy: 0.6016008638688936
Energy: 1.099584541217301
Energy: 0.672769417486274
Energy: 1.2529389206410062
Energy: 0.672769417486274
Energy: 1.3881653042037772
Energy: 0.6706579942952061
Energy: 1.2432812374979438
Energy: 0.6706579942944201
Energy: 1.098968436648917
Energy: 0.6735449888146616
Energy: 1.0984624998208345
Energy: 0.6735449888146616
Energy: 1.388265650595724
Energy: 0.6011547387905012
Energy: 0.9429662103035551
Energy: 0.6011547387905012
Energy: 1.390216719911061
Energy: 0.6040864069160905
Energy: 1.0956289657541853
Energy: 0.6040864069160905
Energy: 1.3937645155531218
Energy: 0.6073639962683484
Energy: 0.775308800129169
Energy: 0.6073639962675624
Energy: 1.5291875663972778
Energy: 0.6018841765566019
Energy: 0.7765920913498298
Energy: 0.6018841765581736
Energy: 1.3930869257903367
Energy: 0.6071056092874001
Energy: 0.7806901933576409
Energy: 0.6071056092874001
Energy: 1.3886098339083635
Energy: 0.6050159628356114
Energy: 0.6040694070911642
Energy: 0.6050159628356114
Energy: 1.5296954512510221
Energy: 0.6023679826909728
Energy: 0.6028875660572462
Energy: 0.6023679826901869
Energy: 1.542460263634941
Energy: 0.6100525658934386
Energy: 0.6094369198958653
Energy: 0.6100525658942244

minimum gb energy = 0.600573340214963 eV
minimum distance =  2.29975908178668 Angstroms
sigma value = 15


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

Energy: 1.3777658683910456
Energy: 0.5559583221482836
Energy: 0.844251369719829
Energy: 0.5595192044745176
Energy: 1.613725814018663
Energy: 0.5524171940905441
Energy: 0.6957751929243602
Energy: 0.5524171940898783
Energy: 1.6091577087846287
Energy: 0.5517245569563786
Energy: 0.6996899281356185
Energy: 0.5517245569563786
Energy: 1.3737313445847197
Energy: 0.5583247468381239
Energy: 0.988622733104348
Energy: 0.5583247468407871
Energy: 1.4896779026694646
Energy: 0.5492239928450326
Energy: 0.9770421224076813
Energy: 0.5492239928490276
Energy: 1.3638817932008584
Energy: 0.550504128599243
Energy: 0.9767946359851425
Energy: 0.550504128599243
Energy: 1.1115676193621336
Energy: 0.5513907497473165
Energy: 1.2394689513031212
Energy: 0.5513907497486481
Energy: 1.3698081743733062
Energy: 0.6145841549248042
Energy: 0.9781430778952248
Energy: 0.6145841549228068
Energy: 1.1096118656760192
Energy: 0.6089858661842634
Energy: 1.2359711229480208
Energy: 0.6089858661835976
Energy: 1.1083767134297946
Energy: 0.6088469058189513
Energy: 1.4842239073584238
Energy: 0.6088469058149565
Energy: 0.987230630713364
Energy: 0.5556811126963774
Energy: 1.24955918124329
Energy: 0.5556811126963774
Energy: 0.8396138067248174
Energy: 0.5488434318498063
Energy: 1.484155693200369
Energy: 0.5488434318504721
Energy: 0.9787208826221372
Energy: 0.5506170070840519
Energy: 1.48514376330176
Energy: 0.5506170070840519
Energy: 0.7058403294506045
Energy: 0.5581268341016411
Energy: 1.2432441077111471
Energy: 0.5581268341009752
Energy: 0.6953379902729864
Energy: 0.549617354491849
Energy: 1.6078138595438503
Energy: 0.5496173544925148
Energy: 0.7034422309939041
Energy: 0.5552709952204281
Energy: 1.487646511135069
Energy: 0.5552709952217597
Energy: 0.5572964475800795
Energy: 0.5560791652367647
Energy: 1.4923876262217148
Energy: 0.5560791651954843
Energy: 0.550671775672691
Energy: 0.5494422899932425
Energy: 1.6070131084880392
Energy: 0.5494422899912451
Energy: 0.5601371269477944
Energy: 0.555188197912376
Energy: 1.3674102291773584
Energy: 0.5551881979117101
Energy: 0.7049363499010983
Energy: 0.5565994350965355
Energy: 1.610979019301392
Energy: 0.5565994350965355
Energy: 0.6935704146055967
Energy: 0.550057798630954
Energy: 1.6077036345081028
Energy: 0.550057798630954
Energy: 0.7048174032504383
Energy: 0.5573805357208705
Energy: 1.3713481938808354
Energy: 0.5573805357195389
Energy: 0.9786110615540073
Energy: 0.5517082606516521
Energy: 1.3619092934816106
Energy: 0.5517082606503205
Energy: 0.978455752463769
Energy: 0.5492016314990595
Energy: 1.4864274488558835
Energy: 0.5492016315017229
Energy: 0.9855022770849051
Energy: 0.5547186776609874
Energy: 1.1164945550492626
Energy: 0.5547186776616532
Energy: 1.2370865931578012
Energy: 0.6086148167102741
Energy: 1.3737951574168457
Energy: 0.6086148167109399
Energy: 0.976069318786919
Energy: 0.6092143191886465
Energy: 1.237420602938646
Energy: 0.6092143191886465
Energy: 1.24571527262071
Energy: 0.6150127334484161
Energy: 1.1163336554225747
Energy: 0.6150127334477502
Energy: 1.2394742781672494
Energy: 0.5512919023044254
Energy: 1.2398372297429407
Energy: 0.5512919023010964
Energy: 1.2373837572028021
Energy: 0.550517018793612
Energy: 0.9787365087817698
Energy: 0.5505170187949437
Energy: 1.4912285364089846
Energy: 0.5486793263902703
Energy: 0.8395810004973039
Energy: 0.5486793263902703
Energy: 1.2419685454750098
Energy: 0.5572027843070317
Energy: 0.9872773879103119
Energy: 0.5572027843070317
Energy: 1.485880775662136
Energy: 0.5520357016943235
Energy: 0.7013858173860379
Energy: 0.5520357016923261
Energy: 1.4839613827690417
Energy: 0.5512806553434837
Energy: 0.7004204163429036
Energy: 0.5512806553441496
Energy: 1.4990589683734095
Energy: 0.5576562135873945
Energy: 0.7146907994043036
Energy: 0.5576562135860628
Energy: 1.6104459506360307
Energy: 0.5536854119581429
Energy: 0.5554757401145778
Energy: 0.5536854119574771
Energy: 1.6058803061255131
Energy: 0.5542982810561313
Energy: 0.552942773497772
Energy: 0.5542982810561313

minimum gb energy = 0.5486793263902703 eV
minimum distance =  2.30507833228704 Angstroms
sigma value = 85


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

Energy: 1.5770056501304026
Energy: 0.5077743289005923
Energy: 0.5077695620716395
Energy: 0.5075869429302696
Energy: 1.5448602824784983
Energy: 0.4947305376861421
Energy: 0.622889866547398
Energy: 0.4947305376872971
Energy: 1.4361542706836454
Energy: 0.49452884911041195
Energy: 0.626100841774667
Energy: 0.4945288491098345
Energy: 1.2099823405752033
Energy: 0.49322508170326584
Energy: 0.8714282777778156
Energy: 0.49322508170268836
Energy: 1.4433191650093273
Energy: 0.49199272897033547
Energy: 0.8707496312554495
Energy: 0.49199272897033547
Energy: 1.2125331410726061
Energy: 0.49369888628974445
Energy: 0.8740562051902523
Energy: 0.49369888628974445
Energy: 1.2174913316622384
Energy: 0.49516543903046173
Energy: 1.1087340523341005
Energy: 0.49516543903103916
Energy: 1.3282783241436755
Energy: 0.4924677219982441
Energy: 0.8666400728473823
Energy: 0.4924677219982441
Energy: 1.2175955787802555
Energy: 0.4925974314905274
Energy: 1.1043394330903609
Energy: 0.49259743148937246
Energy: 1.2167674083724356
Energy: 0.5936184358338717
Energy: 1.3267249314604563
Energy: 0.5936184358384915
Energy: 1.1032205432547055
Energy: 0.5935072083279664
Energy: 1.1000720810695372
Energy: 0.5935072083233467
Energy: 0.989825034538151
Energy: 0.4929362481141181
Energy: 1.327556444525166
Energy: 0.4929362481141181
Energy: 1.1021926069701913
Energy: 0.4927751119189385
Energy: 1.3259746787418152
Energy: 0.4927751119183611
Energy: 0.8705700498014767
Energy: 0.49705493529815764
Energy: 1.1022573496799142
Energy: 0.49705493529700273
Energy: 0.7434198861320247
Energy: 0.4922869528295766
Energy: 1.5433638913110233
Energy: 0.49228695282899915
Energy: 0.8774177546139776
Energy: 0.4967433578969632
Energy: 1.3261102542660517
Energy: 0.4967433578969632
Energy: 0.6249213495120104
Energy: 0.5011913165770397
Energy: 1.3299513361358102
Energy: 0.5011913165787721
Energy: 0.6205855610918324
Energy: 0.49235598107344375
Energy: 1.6506405805450317
Energy: 0.49235598107344375
Energy: 0.6216393060664116
Energy: 0.4929912857362869
Energy: 1.5406995377157597
Energy: 0.49299128573686435
Energy: 0.49810326797883375
Energy: 0.49762060921527734
Energy: 1.5408353580121565
Energy: 0.49762060921527734
Energy: 0.49338320156510784
Energy: 0.49264119812002516
Energy: 1.6512688580205783
Energy: 0.49264119812002516
Energy: 0.4932527984567856
Energy: 0.49239942167486644
Energy: 1.4332711613899178
Energy: 0.4923994216743152
Energy: 0.6271707919199908
Energy: 0.49564956822270195
Energy: 1.646000845328325
Energy: 0.49564956822270195
Energy: 0.6217429848465947
Energy: 0.49239677694054124
Energy: 1.6549107496223752
Energy: 0.49239677694054124
Energy: 0.62214934584571
Energy: 0.4931089893814341
Energy: 1.210038784913557
Energy: 0.4931089893802792
Energy: 0.8722297875867152
Energy: 0.4932804171864266
Energy: 1.6512098575871863
Energy: 0.49328041720314675
Energy: 0.870702572538009
Energy: 0.49230764970494184
Energy: 1.4367042696036239
Energy: 0.49230764970436436
Energy: 1.102755510371838
Energy: 0.49758604715067967
Energy: 1.2128457413213831
Energy: 0.4975860471501022
Energy: 1.1042768519447956
Energy: 0.49233916392774196
Energy: 1.4426091028162071
Energy: 0.49233916392774196
Energy: 1.1030587294095666
Energy: 0.49258401318978345
Energy: 1.2148348454185802
Energy: 0.49258401319036094
Energy: 1.3313394319542642
Energy: 0.5949044954531684
Energy: 0.9867138498185913
Energy: 0.5949044954543234
Energy: 1.1052128094009679
Energy: 0.5946069580229675
Energy: 1.3321060626068146
Energy: 0.5946069580212352
Energy: 1.3275334316130507
Energy: 0.4925306430842219
Energy: 0.9866033793521778
Energy: 0.49253064308479944
Energy: 1.443042706755443
Energy: 0.49224264723638017
Energy: 0.9868810257017235
Energy: 0.4922426472369577
Energy: 1.0981840001990335
Energy: 0.4987619286722909
Energy: 1.0043934494830773
Energy: 0.4987619286717135
Energy: 1.5442334805768714
Energy: 0.49226101981406545
Energy: 0.8704033932156677
Energy: 0.4922610198152204
Energy: 1.5434071585348879
Energy: 0.49359879117104144
Energy: 0.8721247944137345
Energy: 0.49359879117161887
Energy: 1.3234431256563113
Energy: 0.4927394306337111
Energy: 0.6220644419327628
Energy: 0.4927394306337111
Energy: 1.6529090975318206
Energy: 0.4922906544377296
Energy: 0.6212502096914161
Energy: 0.49229065443830705
Energy: 1.5458643028163963
Energy: 0.4927177501924608
Energy: 0.6281281624722249
Energy: 0.4927177501930382
Energy: 1.3216429019320184
Energy: 0.4925927175191593
Energy: 0.4929383955457155
Energy: 0.49259271751453954
Energy: 1.651705936356337
Energy: 0.49247985174421305
Energy: 0.4929351762479685
Energy: 0.49247985174421305
Energy: 1.439445997234093
Energy: 0.49828532177267604
Energy: 0.49273580689802016
Energy: 0.4982853217720986

minimum gb energy = 0.49199272897033547 eV
minimum distance =  2.30294241201751 Angstroms
sigma value = 113


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

Energy: 0.015463000272069732
Energy: 0.44674231585310586
Energy: 1.272485248972252
Energy: 0.01622825169918168
Energy: 0.944093293935315
Energy: 0.1303718885939909
Energy: 0.946138090936707
Energy: 0.13037188859357166
Energy: 0.016133188762461788
Energy: 0.1285284453598385
Energy: 0.9448368868602725
Energy: 0.1285284453593946
Energy: 0.017390576025244728
Energy: 0.1307390177097341
Energy: 0.9466946712985391
Energy: 0.130739017710178
Energy: 0.9450059565336653
Energy: 0.13023799835454447
Energy: 0.9464368466254074
Energy: 0.13023799835368127
Energy: 0.0159209336633551
Energy: 0.12838813680078628
Energy: 0.944627413195696
Energy: 0.12838813680078628

minimum gb energy = 0.015463000272069732 eV
minimum distance =  2.51884898490474 Angstroms
sigma value = 1