Model name: model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614999085664749
cohesive_energy=3.5402517934376156
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: -2.67105988788208e-05 eV

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

Energy: 0.015486528263991477
Energy: 0.3237497408082182
Energy: 0.3237497408111092
Energy: 0.015486528263991477
Energy: 0.3237497408082182
Energy: 0.3237497408111092
Energy: 0.015486528263991477
Energy: 0.3237497408082182
Energy: 0.3237497408111092
Energy: 0.015486528263991477
Energy: 0.3209206874716337
Energy: 0.018304801514680082
Energy: 0.3210290191888207
Energy: 0.3209206874716337
Energy: 0.018304801514680082
Energy: 0.3210290191873752
Energy: 0.3209206874716337
Energy: 0.018304801514680082
Energy: 0.3210290191873752
Energy: 0.3209206874716337
Energy: 0.6637860467552819
Energy: 0.1873706950111012
Energy: 0.18737069501254672
Energy: 0.6637860467538363
Energy: 0.1873706950111012
Energy: 0.18737069501254672
Energy: 0.6637860467538363
Energy: 0.1873706950111012
Energy: 0.18737069501254672
Energy: 0.6637860467567274
Energy: 0.3209206874716337
Energy: 0.3210290191873752
Energy: 0.018304801514680082
Energy: 0.3209206874716337
Energy: 0.3210290191873752
Energy: 0.018304801514680082
Energy: 0.3209206874716337
Energy: 0.3210290191873752
Energy: 0.018304801514680082
Energy: 0.3209206874716337
Energy: 0.015486528263991477
Energy: 0.3237497408082182
Energy: 0.3237497408111092
Energy: 0.015486528263991477
Energy: 0.3237497408082182
Energy: 0.3237497408111092
Energy: 0.015486528263991477
Energy: 0.3237497408082182
Energy: 0.3237497408111092
Energy: 0.015486528263991477
Energy: 0.3209206874716337
Energy: 0.018304801516125596
Energy: 0.3210290191888207
Energy: 0.3209206874716337
Energy: 0.018304801514680082
Energy: 0.3210290191873752
Energy: 0.3209206874716337
Energy: 0.018304801514680082
Energy: 0.3210290191873752
Energy: 0.3209206874716337
Energy: 0.6637860467552819
Energy: 0.1873706950111012
Energy: 0.5847163403349789
Energy: 0.6637860467552819
Energy: 0.1873706950111012
Energy: 0.18737069501254672
Energy: 0.6637860467552819
Energy: 0.1873706950111012
Energy: 0.18737069501254672
Energy: 0.6637860467538363

minimum gb energy = 0.015486528263991477 eV
minimum distance =  2.35339969388351 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.9096475528867727
Energy: 0.9096159820206372
Energy: 0.6898034243323807
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Energy: 0.9096475528867727
Energy: 0.9096159820206372
Energy: 0.6898034243316725
Energy: 0.7779850529243308
Energy: 0.7206538275045905
Energy: 0.874692426662883
Energy: 0.7779850529211121
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Energy: 0.9115050757794583
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Energy: 0.7204598068186078
Energy: 0.8935341158949163
Energy: 0.8665549441806794
Energy: 0.7205674444338016
Energy: 0.8935341158952381
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Energy: 0.8933998514065224
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Energy: 0.8743589432994489
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Energy: 0.6898034243316725
Energy: 0.9096475528874808
Energy: 0.9096159820213452
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Energy: 0.9096475528863863
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Energy: 0.6898034243306425
Energy: 0.9096475528870948
Energy: 0.9096159820213452
Energy: 0.6898034243316725
Energy: 0.7779850529236227
Energy: 0.7206538275049124
Energy: 0.8746924266621748
Energy: 0.7779850529218202
Energy: 0.7206538275042041
Energy: 0.8746924266650075
Energy: 0.7779850529207901
Energy: 0.7206538275067149
Energy: 0.8746924266667456
Energy: 0.7779850529222064
Energy: 0.8037768936876893
Energy: 0.8511798683772787
Energy: 0.9115050757826129
Energy: 0.8209455734357857
Energy: 0.8511798683776006
Energy: 0.9115050757819045
Energy: 0.8037768936873031
Energy: 0.8511798683811412
Energy: 0.9115050757815828
Energy: 0.8209455734382319
Energy: 0.9097600515168709
Energy: 0.9791341274977012
Energy: 0.6903040249746235
Energy: 0.9097600515171926
Energy: 0.9791341274973794
Energy: 0.6903040249739154
Energy: 0.9097600515189954
Energy: 0.979134127496285
Energy: 0.6903040249750099
Energy: 0.9097600515182873

minimum gb energy = 0.6560941555247207 eV
minimum distance =  2.37558599013979 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.7586782708325318
Energy: 0.7586993675057153
Energy: 0.8753558833205883
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minimum gb energy = 0.7584990530631445 eV
minimum distance =  2.26127576114925 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.9002246023048946
Energy: 0.8919853760997188
Energy: 0.9309789149928303
Energy: 0.9002246023037253
Energy: 0.9079808526829027
Energy: 0.975351000667532
Energy: 0.8779646306313746
Energy: 0.9079808526852415
Energy: 0.9753510006698711
Energy: 0.8777998097435808
Energy: 0.907980852684852
Energy: 0.9753510006700483
Energy: 0.8779646306311619
Energy: 0.9079808526821231
Energy: 0.9482826892898034
Energy: 0.8770917147803021
Energy: 0.8789252664538099
Energy: 0.9482826892921069
Energy: 0.8770917147816841
Energy: 0.8788400377486039
Energy: 0.9482826892936661
Energy: 0.8770917147859721
Energy: 0.8789252664544123
Energy: 0.9339562681655791
Energy: 0.9587756402761625
Energy: 0.915606037948689
Energy: 0.8950901391906171
Energy: 0.9513533907310391
Energy: 0.9156060379473068
Energy: 0.8950901391894476
Energy: 0.9587756402796708
Energy: 0.915606037948689
Energy: 0.8950901391906171
Energy: 0.951353390730862
Energy: 0.8740137438554826
Energy: 0.8694298710056858
Energy: 0.9132934539977398
Energy: 0.8954808936035733
Energy: 0.8694298710050833
Energy: 0.9003410344323445
Energy: 0.8740137438531438
Energy: 0.8694298710066426
Energy: 0.9132934540002913
Energy: 0.8954808936051325
Energy: 0.8783839575282284
Energy: 0.8537454250967053
Energy: 0.8764837763491025
Energy: 0.8783839575297877
Energy: 0.8537454250978749
Energy: 0.8764837763479331
Energy: 0.8783839575282284
Energy: 0.8537454250970952
Energy: 0.8764837763491025
Energy: 0.8783839575266692
Energy: 0.9446378403416221
Energy: 0.9417994345768707
Energy: 0.8953089907093882
Energy: 0.9446378403410551
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Energy: 0.8953089907087858
Energy: 0.9446378403424016
Energy: 0.9417994345788198
Energy: 0.895308990708006
Energy: 0.944637840343784
Energy: 0.8815683459469772
Energy: 0.9140315598092722
Energy: 0.8537898554693616
Energy: 0.8815683459473671
Energy: 0.9140315598018655
Energy: 0.8537898554674479
Energy: 0.8815683459504856
Energy: 0.9140315598053739
Energy: 0.8537898554682276
Energy: 0.8815683459489263
Energy: 0.9099188749978502
Energy: 0.9407491140341574
Energy: 0.9919454156111118
Energy: 0.9099340069872245
Energy: 0.9407491140333777
Energy: 0.9919454156109346
Energy: 0.9099188749984173
Energy: 0.940749114033165
Energy: 0.9919454156138406
Energy: 0.9099340069877916
Energy: 0.9630343291334089
Energy: 0.8946228291314503
Energy: 0.9164336105751985
Energy: 0.9630343291357477
Energy: 0.8946228291283317
Energy: 0.9164336105749857
Energy: 0.963034329134791
Energy: 0.8946228291281191
Energy: 0.9164336105753756
Energy: 0.9630343291324519
Energy: 0.9364851158161482
Energy: 0.9520340547628867
Energy: 0.8885375068428708
Energy: 0.9535744775777006
Energy: 0.9520340547592009
Energy: 0.8885375068424811
Energy: 0.9364851158180973
Energy: 0.9520340547593781
Energy: 0.8885375068413116
Energy: 0.9228724328033299
Energy: 0.8906370565092262
Energy: 0.9339084916459784
Energy: 0.853923340658101
Energy: 0.8906352342813798
Energy: 0.9338941823212954
Energy: 0.853923340658101
Energy: 0.8906370565090135
Energy: 0.9339084916467579
Energy: 0.853923340655762
Energy: 0.890635234278651
Energy: 0.9949295698242003
Energy: 0.9430819723424924
Energy: 0.8791971055221688
Energy: 0.9949295698259722
Energy: 0.9430819723419253
Energy: 0.8791971055237281
Energy: 0.9949295698284882
Energy: 0.943081972342882
Energy: 0.8791971055239408
Energy: 0.994929569826752
Energy: 0.8969981357727479
Energy: 0.9099122849076524
Energy: 0.9459833859922578
Energy: 0.8969981357733503
Energy: 0.909912284908042
Energy: 0.9459833859920453
Energy: 0.8969981357739173
Energy: 0.9099122849060929
Energy: 0.9459833859934275
Energy: 0.8969981357731377
Energy: 0.9206831074828945
Energy: 1.0490915023179932
Energy: 0.9658127329928077
Energy: 0.9206831074836741
Energy: 1.0496947676691064
Energy: 0.9658127329928077
Energy: 0.9206831074842412
Energy: 1.049091502315867
Energy: 0.9658127329939771
Energy: 0.9206831074858005
Energy: 0.9604789039352307
Energy: 0.9438612076992479
Energy: 0.8826437059560555
Energy: 0.9604789039360103
Energy: 0.9438612076996375
Energy: 0.8826437059550631
Energy: 0.9604789039373925
Energy: 0.9438612076996375
Energy: 0.8826437059538936
Energy: 0.9604789039367901
Energy: 0.8489785172226524
Energy: 0.8877732743751895
Energy: 0.9107431141272863
Energy: 0.8489785172238218
Energy: 0.8877732743763236
Energy: 0.9107431141255499
Energy: 0.8489785172230422
Energy: 0.8877732743736303
Energy: 0.9107431141263294
Energy: 0.8489785172242116
Energy: 0.8960861080755702
Energy: 0.881364152717611
Energy: 0.9332735782625254
Energy: 0.8960861080738337
Energy: 0.8813641527187807
Energy: 0.9332735782625254
Energy: 0.8960861080732312
Energy: 0.881364152723246
Energy: 0.9332735782588399
Energy: 0.8960861080750031
Energy: 0.8766645008501593
Energy: 0.8936158695540637
Energy: 0.8984674624493377
Energy: 0.8766645008532427
Energy: 0.8935997078568644
Energy: 0.8984674624497275
Energy: 0.8766645008513289
Energy: 0.8936158695544536
Energy: 0.8984674624505073
Energy: 0.8766645008486001
Energy: 0.9458605230944627
Energy: 0.9163415732092743
Energy: 0.9248698138868102
Energy: 0.945860523095065
Energy: 0.9163983059999548
Energy: 0.9248698138869874
Energy: 0.9458605230981837
Energy: 0.9163415732078923
Energy: 0.9248698138873773
Energy: 0.9458605230971914
Energy: 0.8561031641714464
Energy: 0.9180338442539987
Energy: 0.8802678084943559
Energy: 0.8561031641687177
Energy: 0.918033844253609
Energy: 0.880267808494533
Energy: 0.8561031641745649
Energy: 0.9180338442533963
Energy: 0.8802678084937533
Energy: 0.8561031641704895
Energy: 0.9175050153914918
Energy: 0.9554858792727651
Energy: 0.9003355544560413
Energy: 0.9175050153928385
Energy: 0.955576408102989
Energy: 0.9003355544550844
Energy: 0.9175050153918817
Energy: 0.9554858792723752
Energy: 0.900335554454482
Energy: 0.9175050153904996
Energy: 0.9533147738575711
Energy: 0.878934220270442
Energy: 0.9078002871578719
Energy: 0.9558328363069101
Energy: 0.8789329481828697
Energy: 0.9078002871588643
Energy: 0.955839204607799
Energy: 0.8789342202717888
Energy: 0.907800287157305
Energy: 0.9611000354006114
Energy: 0.8773249943691229
Energy: 0.8784625492550318
Energy: 0.9440954132776955
Energy: 0.8773249943699026
Energy: 0.878464875727514
Energy: 0.9440954132767032
Energy: 0.877324994373234
Energy: 0.8784625492536496
Energy: 0.9440954132782624
Energy: 0.877324994370895

minimum gb energy = 0.8489785172226524 eV
minimum distance =  2.34757631140527 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.8416479835899294
Energy: 0.9013802868698845
Energy: 0.9017104623811002
Energy: 0.8416479835892603
Energy: 0.9013802868692151
Energy: 0.9017104623831076
Energy: 0.8416479835892603
Energy: 0.9013802868678769
Energy: 0.9017104623811002
Energy: 0.8416479835892603
Energy: 0.8989561913149587
Energy: 0.8502320031818605
Energy: 0.9279007014311932
Energy: 0.8989561913142895
Energy: 0.8502320031811913
Energy: 0.9279007014325313
Energy: 0.8989561913136205
Energy: 0.8502320031811913
Energy: 0.9279007014318623
Energy: 0.8989561913149587
Energy: 0.8861233779843795
Energy: 0.9340210752932089
Energy: 0.8139049002021681
Energy: 0.8861233779843795
Energy: 0.9340210830732291
Energy: 0.8139048998149174
Energy: 0.8861233779823718
Energy: 0.9340210760035333
Energy: 0.8139048994229525
Energy: 0.8861233779843795
Energy: 0.9460025827378361
Energy: 0.9008124056491664
Energy: 0.8497340920635876
Energy: 0.9460025827358287
Energy: 0.9008124056484973
Energy: 0.8497340920635876
Energy: 0.9460025827385051
Energy: 0.9008124056478282
Energy: 0.8497340920635876
Energy: 0.9460025827378361
Energy: 0.8793604970616993
Energy: 0.9120714970397041
Energy: 0.8811617733203627
Energy: 0.8793604970610301
Energy: 0.9120714970397041
Energy: 0.8811617733210318
Energy: 0.8793604970596918
Energy: 0.912071497039035
Energy: 0.8811617733210318
Energy: 0.8793604970610301
Energy: 0.8504145882700801
Energy: 0.9959790701927002
Energy: 0.9451072112514574
Energy: 0.8504145882694111
Energy: 0.9959790701927002
Energy: 0.9451072112521264
Energy: 0.8504145882700801
Energy: 0.9959790701927002
Energy: 0.9451072112527955
Energy: 0.8504145882694111
Energy: 0.8999595303131162
Energy: 0.927965326680756
Energy: 0.8999572987970853
Energy: 0.8999595303224842
Energy: 0.9279653266814252
Energy: 0.8999572987944088
Energy: 0.8999595303157928
Energy: 0.927965326680756
Energy: 0.8999572987930704
Energy: 0.8999595303157928
Energy: 0.9535891943025903
Energy: 0.8487883540169981
Energy: 0.8485496493505191
Energy: 0.9535891943025903
Energy: 0.8487883540169981
Energy: 0.8485496493491808
Energy: 0.953589194301921
Energy: 0.8487883540169981
Energy: 0.84854964934985
Energy: 0.9535891943025903
Energy: 0.8999340498251913
Energy: 0.9000658701665495
Energy: 0.9279092432481665
Energy: 0.8999340498245222
Energy: 0.9000658701678877
Energy: 0.9279092432488356
Energy: 0.8999340498245222
Energy: 0.9000658701678877
Energy: 0.9279092432488356
Energy: 0.8999340498245222
Energy: 0.8501724858043324
Energy: 0.9445337340125427
Energy: 0.99625565548691
Energy: 0.8501724858043324
Energy: 0.9445337340105351
Energy: 0.99625565548691
Energy: 0.8501724858043324
Energy: 0.9445337340112044
Energy: 0.99625565548691
Energy: 0.8501724858043324
Energy: 0.8792877400874274
Energy: 0.8809567783767762
Energy: 0.9119622118751465
Energy: 0.8792877400880965
Energy: 0.8809567783761071
Energy: 0.9119622118751465
Energy: 0.8792877400867583
Energy: 0.8809567783767762
Energy: 0.9119622118731391
Energy: 0.8792877400867583
Energy: 0.9458579511011413
Energy: 0.8497384167076718
Energy: 0.9007355015649204
Energy: 0.9458579510998029
Energy: 0.8497384167083409
Energy: 0.9007355015642513
Energy: 0.9458579511004721
Energy: 0.8497384167076718
Energy: 0.9007355015649204
Energy: 0.9458579511004721
Energy: 0.8861416391011723
Energy: 0.8139556574626107
Energy: 0.9341086426834166
Energy: 0.8861416390998339
Energy: 0.8139556574679638
Energy: 0.9341086485531892
Energy: 0.886141639100503
Energy: 0.8139556574713095
Energy: 0.9341086505878059
Energy: 0.8861416390971574
Energy: 0.8987719002266741
Energy: 0.9274508443612904
Energy: 0.8502191352915772
Energy: 0.898771900226005
Energy: 0.9274508443619596
Energy: 0.850219135290908
Energy: 0.898771900226005
Energy: 0.9274508443612904
Energy: 0.8502191352915772
Energy: 0.898771900226005
Energy: 0.8416479835892603
Energy: 0.9013802868665387
Energy: 0.9017104623831076
Energy: 0.8416479835892603
Energy: 0.9013802868645312
Energy: 0.9017104623864532
Energy: 0.8416479835892603
Energy: 0.901380286868546
Energy: 0.9017104623697247
Energy: 0.8416479835892603

minimum gb energy = 0.8139048994229525 eV
minimum distance =  2.3449597537143 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.0043763787917384
Energy: 0.8284127005588481
Energy: 0.8276349313776216
Energy: 0.9174594229642701
Energy: 0.8284127005614442
Energy: 0.8276349313828141
Energy: 1.0043763787969309
Energy: 0.8284127005614442
Energy: 0.8276349313854104
Energy: 0.9174594229642701
Energy: 0.8442803485739572
Energy: 0.741579951293667
Energy: 0.8461605955241768
Energy: 0.8442803485739572
Energy: 0.741579951293667
Energy: 0.8461605955189844
Energy: 0.8442803485739572
Energy: 0.7415799512962631
Energy: 0.8461605955267731
Energy: 0.8442803485739572
Energy: 0.7800991292726587
Energy: 0.7381718511435477
Energy: 0.7944081526077656
Energy: 0.7800991292752549
Energy: 0.7381718511435477
Energy: 0.7943881241434702
Energy: 0.7800991292752549
Energy: 0.7381718511409514
Energy: 0.7944081526077656
Energy: 0.7800991292726587
Energy: 0.7603293642302412
Energy: 0.7612691885400527
Energy: 0.7853395123418553
Energy: 0.7603293642302412
Energy: 0.7612691885374565
Energy: 0.7854004876153
Energy: 0.7603293642302412
Energy: 0.7612691885400527
Energy: 0.7853395123496439
Energy: 0.7603293642302412
Energy: 0.7749166876577549
Energy: 0.8007724823343834
Energy: 0.7821531128837196
Energy: 0.7749166876526097
Energy: 0.8007724823395759
Energy: 0.7821620904325101
Energy: 0.7749166876577549
Energy: 0.8007724823395759
Energy: 0.7821531128785272
Energy: 0.7749166876629474
Energy: 0.7827352878629242
Energy: 0.8090081049168746
Energy: 0.7999169482840219
Energy: 0.7827352878577317
Energy: 0.8090081049142783
Energy: 0.7999169482840219
Energy: 0.7827352878577317
Energy: 0.8090081049142783
Energy: 0.7999169482840219
Energy: 0.7827352878629242
Energy: 0.7823201541005934
Energy: 0.7367200182997247
Energy: 0.8320318728805937
Energy: 0.7823201541005934
Energy: 0.7367200182945796
Energy: 0.8320318728779974
Energy: 0.7823201541005934
Energy: 0.7367200182945796
Energy: 0.8320318728805937
Energy: 0.7823201540979973
Energy: 0.8060922885269017
Energy: 0.7544342016446539
Energy: 0.7918718806634697
Energy: 0.8060922885243055
Energy: 0.7544469768520526
Energy: 0.7918718806634697
Energy: 0.8060922885217093
Energy: 0.7544342016446539
Energy: 0.7918718806634697
Energy: 0.8060922885243055
Energy: 0.7999237041115174
Energy: 0.8518282009675625
Energy: 0.7798939120405836
Energy: 0.7999237040051198
Energy: 0.8518282009675625
Energy: 0.7816026771460616
Energy: 0.7999237042568583
Energy: 0.8518282009701588
Energy: 0.7798939120457761
Energy: 0.7999237039220882
Energy: 0.7466403072938224
Energy: 0.8314131048328571
Energy: 0.79758608600261
Energy: 0.7466403072886298
Energy: 0.8386660218608889
Energy: 0.8179123553406161
Energy: 0.7466403072912261
Energy: 0.8314131048354533
Energy: 0.7975860860000139
Energy: 0.7466403072938224
Energy: 0.7446840206958062
Energy: 0.7987060546519837
Energy: 0.7985432740139911
Energy: 0.7446840206906137
Energy: 0.7987761187168
Energy: 0.7984491744307067
Energy: 0.7446840206906137
Energy: 0.7987060546467912
Energy: 0.7985432740165874
Energy: 0.7446840206958062
Energy: 0.7412044692901951
Energy: 0.789846789273336
Energy: 0.8147213875963989
Energy: 0.7412044692875989
Energy: 0.7894918453628454
Energy: 0.8147213875912064
Energy: 0.7412044692850027
Energy: 0.7898467892785282
Energy: 0.8147213875938026
Energy: 0.7412044692850027
Energy: 0.8304852656000136
Energy: 0.7836830810206955
Energy: 0.8600141929275698
Energy: 0.830485265605206
Energy: 0.7836764360023548
Energy: 0.8600141929249735
Energy: 0.830485265605206
Energy: 0.783683081015503
Energy: 0.8600141929301659
Energy: 0.8304852656026098
Energy: 0.8277710633781439
Energy: 0.8262850029415014
Energy: 0.782150343209826
Energy: 0.8277710633781439
Energy: 0.8262850029440976
Energy: 0.782150343209826
Energy: 0.8277710633807399
Energy: 0.8262850029492901
Energy: 0.7821503432046337
Energy: 0.8277710633807399
Energy: 0.7447463396640699
Energy: 0.8355991969019531
Energy: 0.773516010299143
Energy: 0.7447463396640699
Energy: 0.8355991969045494
Energy: 0.773516010299143
Energy: 0.7447463396588775
Energy: 0.8355991969097418
Energy: 0.7735160102965468
Energy: 0.7447463396588775
Energy: 0.738847103674349
Energy: 0.8086021638306811
Energy: 0.8329535432792442
Energy: 0.7388471036769452
Energy: 0.8086021638358735
Energy: 0.8329535432818405
Energy: 0.738847103674349
Energy: 0.8086021638358735
Energy: 0.8329535432818405
Energy: 0.7388471036717527
Energy: 0.7763630428954699
Energy: 0.7987212805699722
Energy: 0.7895968968684218
Energy: 0.7763630429006624
Energy: 0.7883292078356389
Energy: 0.7895968968710181
Energy: 0.7763630429006624
Energy: 0.7987212805725684
Energy: 0.7895968968710181
Energy: 0.7763630428980661
Energy: 0.789775003529221
Energy: 0.8100812264444862
Energy: 0.7511361226437366
Energy: 0.8075516854466925
Energy: 0.7949594352397862
Energy: 0.7511361226411404
Energy: 0.7897750035318172
Energy: 0.8100812264392938
Energy: 0.7511361226437366
Energy: 0.8075516854596735
Energy: 0.8023076805340136
Energy: 0.7985291010848186
Energy: 0.7367843930428434
Energy: 0.8023076805366098
Energy: 0.7985291010848186
Energy: 0.7367843930454396
Energy: 0.8023076805262249
Energy: 0.7985291010822223
Energy: 0.736784393037651
Energy: 0.8023076805262249
Energy: 0.7747948461356181
Energy: 0.864244923260671
Energy: 0.742286827189048
Energy: 0.7753023283589662
Energy: 0.864244923260671
Energy: 0.742286827189048
Energy: 0.7747948461356181
Energy: 0.864244923260671
Energy: 0.742286827189048
Energy: 0.7753023283589662
Energy: 0.7819014062180487
Energy: 0.8283593455048549
Energy: 0.827390913394352
Energy: 0.7818998894948337
Energy: 0.8283593455074512
Energy: 0.8273909133917559
Energy: 0.7819014062206447
Energy: 0.8283593455048549
Energy: 0.8273909133917559
Energy: 0.7818998894844488
Energy: 0.8440842507937997
Energy: 0.7851211380943851
Energy: 0.796871032912387
Energy: 0.8440842507912034
Energy: 0.785121138091789
Energy: 0.7968710334028828
Energy: 0.8440842507937997
Energy: 0.785121138091789
Energy: 0.7968710339011201
Energy: 0.8440842507963958
Energy: 0.7570078317463783
Energy: 0.789554089414299
Energy: 0.7510182538369087
Energy: 0.7570078317463783
Energy: 0.789554089414299
Energy: 0.7510182538343124
Energy: 0.7570078317489746
Energy: 0.789554089414299
Energy: 0.7510182538291199
Energy: 0.7570078317463783
Energy: 0.7985884942580073
Energy: 0.7985357173657478
Energy: 0.7442934248041465
Energy: 0.798588494255411
Energy: 0.7985357173631517
Energy: 0.7442934248093388
Energy: 0.798588494255411
Energy: 0.7985357173605553
Energy: 0.7442934248015503
Energy: 0.798588494255411
Energy: 0.8172838345340601
Energy: 0.8173530826508795
Energy: 0.746434542758816
Energy: 0.8172838345366563
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Energy: 0.746434542758816
Energy: 0.8172838345366563
Energy: 0.817353082645687
Energy: 0.7464345427510273
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Energy: 0.8242215935813035
Energy: 0.8016461133301771
Energy: 0.7986455547469559
Energy: 0.9123949104732593
Energy: 0.8016461133301771
Energy: 0.7986455547443595
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Energy: 0.8016461133327735
Energy: 0.7986455547469559
Energy: 0.9123949104758554
Energy: 0.8340819656306677
Energy: 0.7365598350105209
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Energy: 0.7365598350131172
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Energy: 0.8237469484741407
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Energy: 0.7838241562027545
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Energy: 0.7838277936006811
Energy: 0.8237469484819293
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Energy: 0.783824156207947
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Energy: 0.775879988957966
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Energy: 0.7742625916399976
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Energy: 0.7758799889527735
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Energy: 0.7859202525472829
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Energy: 0.7792680909376087
Energy: 0.8214445121051802
Energy: 0.8012479907328016
Energy: 0.7792680909376087
Energy: 0.8214445121025841
Energy: 0.8012479907302054
Energy: 0.7792680909428011
Energy: 0.8214445121051802
Energy: 0.8012479907276092
Energy: 0.7792680909428011
Energy: 0.8319745413240273
Energy: 0.739671702321186
Energy: 0.7984936128398135
Energy: 0.8319745413266235
Energy: 0.7396717023186368
Energy: 0.7984936128372172
Energy: 0.8319745413240273
Energy: 0.739671702321186
Energy: 0.798493612834621
Energy: 0.8319745413214311
Energy: 0.8286959049958201
Energy: 0.8257567387671164
Energy: 0.9454225243226584
Energy: 0.8286959049958201
Energy: 0.8257567387697126
Energy: 0.9735011806522513
Energy: 0.8286959049984165
Energy: 0.8257567387671164
Energy: 0.9454225243278507
Energy: 0.8286959049984165
Energy: 0.7443132286631631
Energy: 0.836123338584667
Energy: 0.7965338848589668
Energy: 0.7443132286631631
Energy: 0.8182172991692168
Energy: 0.8125521238825157
Energy: 0.7443132286631631
Energy: 0.8361233385820708
Energy: 0.7965338848641593
Energy: 0.7443132286631631
Energy: 0.7452621638872151
Energy: 0.7996703165177799
Energy: 0.7989042840154884
Energy: 0.7452621638872151
Energy: 0.7995118013061799
Energy: 0.7988448363177684
Energy: 0.7452621638872151
Energy: 0.7996703165229722
Energy: 0.7989042840102959
Energy: 0.7452621638872151
Energy: 0.751643972412844
Energy: 0.783636489548243
Energy: 0.7609725569977551
Energy: 0.7516439724154401
Energy: 0.7837285013414212
Energy: 0.7609725569977551
Energy: 0.7516439724154401
Energy: 0.7836364895430505
Energy: 0.7609725569951589
Energy: 0.7516439724076516
Energy: 0.8458284141450674
Energy: 0.7796869985566357
Energy: 0.8029146538363857
Energy: 0.8458284141476636
Energy: 0.7797027391160354
Energy: 0.8029146538363857
Energy: 0.8458284141424712
Energy: 0.779686998559232
Energy: 0.802914653841578
Energy: 0.8458284141424712
Energy: 0.801776070952926
Energy: 0.7953917151281087
Energy: 0.7822623776517307
Energy: 0.801776070952926
Energy: 0.7953917151307051
Energy: 0.7822623776543269
Energy: 0.8017760709555223
Energy: 0.7953917151281087
Energy: 0.7822623776543269
Energy: 0.8017760709555223

minimum gb energy = 0.7365598350105209 eV
minimum distance =  2.29595701767762 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.885888991342801
Energy: 0.42503374418168666
Energy: 0.4140996046162328
Energy: 0.6502921517547794
Energy: 0.4250337441810703
Energy: 0.41409960461654105
Energy: 0.8858889913415683
Energy: 0.4250337441810703
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Energy: 0.6502921517547794
Energy: 0.6437984343752804
Energy: 0.4069068343086276
Energy: 0.4682765217456871
Energy: 0.6198794453695983
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Energy: 0.5961850154854089
Energy: 0.6437984343746641
Energy: 0.4069068343101686
Energy: 0.46827652174784434
Energy: 0.6198794453702147
Energy: 0.5578755909447553
Energy: 0.42750848198808444
Energy: 0.597890865287202
Energy: 0.7257831774345694
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Energy: 0.5512709102013694
Energy: 0.5578755909456798
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Energy: 0.7257831774358022
Energy: 0.5594199864010078
Energy: 0.4146660501203277
Energy: 0.5163898375927851
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Energy: 0.6093703101655967
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Energy: 0.6194512344636298
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Energy: 0.4714884352875645
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Energy: 0.4139906474610208
Energy: 0.47148843528725637
Energy: 0.5775440053447276
Energy: 0.5487167839183894
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Energy: 0.6573390744104385
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Energy: 0.5775440053441113
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Energy: 0.40736496126287725
Energy: 0.6573390744107467
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Energy: 0.6550826707597931
Energy: 0.4081661098196934
Energy: 0.6078107832141597
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Energy: 0.4081661098206179
Energy: 0.6601970718830237
Energy: 0.6550826707579439
Energy: 0.4081661098209261
Energy: 0.6078107832120024
Energy: 0.656726736196995
Energy: 0.42503374418168666
Energy: 0.4140996046162328
Energy: 0.4983658333258892
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Energy: 0.41409960461654105
Energy: 0.6567267361966868
Energy: 0.4250337441813785
Energy: 0.4140996046143837
Energy: 0.4983658333258892
Energy: 0.6361700976229695
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Energy: 0.5171119957898851
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Energy: 0.5775436717560594
Energy: 0.42750848198808444
Energy: 0.5903036618257039
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Energy: 0.42750848198839264
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Energy: 0.42750848198900904
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Energy: 0.6562898237180563
Energy: 0.5594199864447698
Energy: 0.4146660501203277
Energy: 0.6400543387844159
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Energy: 0.4146660501206359
Energy: 0.6249141854506307
Energy: 0.5594199864256625
Energy: 0.4146660501200195
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Energy: 0.5594199864238133
Energy: 0.4137505120625249
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Energy: 0.6139727099561363
Energy: 0.41375051206283303
Energy: 0.40759622837939374
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Energy: 0.4075962283787774
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Energy: 0.6191083284579119
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Energy: 0.6757352737101018
Energy: 0.6169303485779862
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Energy: 0.6197907244911997
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Energy: 0.6092643698162763
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Energy: 0.6197907244911997
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Energy: 0.5742328675441849
Energy: 0.6781632276620533
Energy: 0.4139906474597881
Energy: 0.4051431487031803
Energy: 0.6273259052313912
Energy: 0.41399064746009623
Energy: 0.5742328675448013
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Energy: 0.41399064746132896
Energy: 0.4051431486960921
Energy: 0.5578995129249684
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Energy: 0.6059858915671983
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Energy: 0.5749482610903172
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Energy: 0.6059858915678146
Energy: 0.8858889913431091
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Energy: 0.6502921517547794
Energy: 0.6437984343755886
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Energy: 0.46827652174599527
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Energy: 0.609370310165905
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Energy: 0.40759622837908555
Energy: 0.6194512344636298
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Energy: 0.4075962283787774
Energy: 0.6093703101671377
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Energy: 0.6191083284616101
Energy: 0.49509261829393936
Energy: 0.6519786968236424
Energy: 0.6191083284603773
Energy: 0.5002212445516772
Energy: 0.6564567872962273
Energy: 0.6191083284579119
Energy: 0.49509261829763757
Energy: 0.6519786968236424
Energy: 0.6191083284585283
Energy: 0.4149347518279109
Energy: 0.6411422159313337
Energy: 0.6169303485779862
Energy: 0.4149347518276027
Energy: 0.6521092411977882
Energy: 0.6169303485755206
Energy: 0.4149347518276027
Energy: 0.6411422159301009
Energy: 0.6169303485752127
Energy: 0.41493475182821904
Energy: 0.6170854910852067
Energy: 0.6211231025629825
Energy: 0.42753266218766456
Energy: 0.6170854910842821
Energy: 0.6139733763498166
Energy: 0.42753266218766456
Energy: 0.6170854910842821
Energy: 0.6211231025638789
Energy: 0.4275326621864318
Energy: 0.6170854910848985
Energy: 0.6158562312074831
Energy: 0.6451381863246021
Energy: 0.4139906474597881
Energy: 0.47148843528787276
Energy: 0.689310980656954
Energy: 0.4139906474604044
Energy: 0.6158562312074831
Energy: 0.6451381863233693
Energy: 0.4139906474610208
Energy: 0.47148843528694817
Energy: 0.5775440053447276
Energy: 0.5487167839183894
Energy: 0.4073649612653428
Energy: 0.6573390744104385
Energy: 0.6128760066216253
Energy: 0.40736496126380184
Energy: 0.5775440053438031
Energy: 0.5487167839180812
Energy: 0.40736496126287725
Energy: 0.6573390744101303
Energy: 0.6601970718848729
Energy: 0.6550826707591767
Energy: 0.4081661098200015
Energy: 0.6078107832135434
Energy: 0.6550826707588684
Energy: 0.4081661098206179
Energy: 0.6601970718830237
Energy: 0.6550826707579439
Energy: 0.4081661098209261
Energy: 0.6078107832116943

minimum gb energy = 0.4051431486960921 eV
minimum distance =  2.36577619729753 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.7653144999958664
Energy: 0.735575882191735
Energy: 0.7386961017314397
Energy: 0.7073354788907502
Energy: 0.735575882193427
Energy: 0.7386961017331317
Energy: 0.7653144999924827
Energy: 0.735575882191735
Energy: 0.7386961017331317
Energy: 0.7073354788907502
Energy: 0.7367956161113935
Energy: 0.7053414904839574
Energy: 0.7086666307683716
Energy: 0.7367956161130853
Energy: 0.7053414904839574
Energy: 0.7086666307649879
Energy: 0.7367956161147772
Energy: 0.7053414904873411
Energy: 0.7086666307700634
Energy: 0.7367956161130853
Energy: 0.7328930475081786
Energy: 0.683079308539746
Energy: 0.733776539243653
Energy: 0.7328930475064869
Energy: 0.683079308538054
Energy: 0.7337765392419612
Energy: 0.7328930475081786
Energy: 0.683079308539746
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Energy: 0.7328930475098706
Energy: 0.8203927219635989
Energy: 0.7027543095700095
Energy: 0.7174261119832871
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Energy: 0.7027543095700095
Energy: 0.7174261119815953
Energy: 0.8203927219551397
Energy: 0.7027543095717013
Energy: 0.7174261119815953
Energy: 0.8203927219602152
Energy: 0.7072801337637139
Energy: 0.7267012215550069
Energy: 0.7396363061820588
Energy: 0.7072801337670978
Energy: 0.7267012215550069
Energy: 0.7396363061769833
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Energy: 0.726701221553315
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Energy: 0.7614088955617532
Energy: 0.7152749429202511
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Energy: 0.7152749429219428
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Energy: 0.7000868348669887
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Energy: 0.7193867064157831
Energy: 0.7000879607436165
Energy: 0.7407626761030182
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Energy: 0.7000868348686806
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Energy: 0.6805474318449583
Energy: 0.8051188931977677
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Energy: 0.7393019476681005
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Energy: 0.7048356197184925
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Energy: 0.7312319449613446
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Energy: 0.741331504246386
Energy: 0.7311966455813744
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Energy: 0.7413315042446942
Energy: 0.7312319449596528
Energy: 0.7377864847158794
Energy: 0.7049043389293833
Energy: 0.7454709152222463
Energy: 0.7208713312877643
Energy: 0.7049043389277223
Energy: 0.7387090628514799
Energy: 0.7210129359177441
Energy: 0.7049043389260304
Energy: 0.7454709152239382
Energy: 0.7208713312877643
Energy: 0.7049043389277223
Energy: 0.7055114045585749
Energy: 0.7346138305848384
Energy: 0.7357759203815455
Energy: 0.7055114045568829
Energy: 0.7344465976800044
Energy: 0.73587593840839
Energy: 0.7055114045568829
Energy: 0.734613830588222
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Energy: 0.7055114045585749
Energy: 0.7107460732862556
Energy: 0.7273749968568992
Energy: 0.7393636178149088
Energy: 0.710746073282872
Energy: 0.7308182870842946
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Energy: 0.7107460732811801
Energy: 0.7273749968535157
Energy: 0.7393636178182925
Energy: 0.7107460732845639
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Energy: 0.7344556133930374
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minimum gb energy = 0.6742778282913032 eV
minimum distance =  2.2899745322932 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 0.9135479069094391
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Energy: 0.938702808494685
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Energy: 0.9194485789674021
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Energy: 0.9548455868213185
Energy: 0.9194485789674021
Energy: 0.9325774431644634
Energy: 0.9548455868213185
Energy: 0.9194485789674021

minimum gb energy = 0.8673900733793672 eV
minimum distance =  2.32545576982074 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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minimum gb energy = 0.985573209588319 eV
minimum distance =  2.28277407556819 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.9811679144265061
Energy: 0.9830987744651534
Energy: 0.9810356531760182
Energy: 1.0330640505491562
Energy: 1.0721098100198088
Energy: 0.9810356531760182
Energy: 1.033064050549409
Energy: 1.0721098100200617
Energy: 0.9810356531760182
Energy: 1.033064050549409
Energy: 1.0721098100200617
Energy: 0.9810356531760182
Energy: 1.044451500949621
Energy: 1.0026530504869289
Energy: 0.9834060976424823
Energy: 1.044451500949621
Energy: 1.002653050486423
Energy: 0.9834060976429883
Energy: 1.0444515009503799
Energy: 1.002653050486423
Energy: 0.9834060976427352
Energy: 1.0444515009501267
Energy: 1.0369061168313216
Energy: 1.0797315416965092
Energy: 0.980798705232067
Energy: 1.0369061168313216
Energy: 1.0797315417008089
Energy: 0.9807987052318141
Energy: 1.0369061168315516
Energy: 1.079731541697521
Energy: 0.980798705232067
Energy: 1.0369061168308158
Energy: 1.0016161720053094
Energy: 1.0030997120315868
Energy: 0.9813892781912001
Energy: 1.0016161720055394
Energy: 1.0030997120313572
Energy: 0.9813892781912001
Energy: 1.0016161720055394
Energy: 1.0030997120310812
Energy: 0.9813892781912001
Energy: 1.0016161720055394
Energy: 1.0461108591131434
Energy: 1.0364932920743313
Energy: 0.9835855322577267
Energy: 1.0461108591123847
Energy: 1.0364932920738255
Energy: 0.983585532256968
Energy: 1.0461108591128905
Energy: 1.0364932920738255
Energy: 0.9835855322572209
Energy: 1.0461108591131434
Energy: 1.0087976267671752
Energy: 1.014063509068397
Energy: 1.0140685874929487
Energy: 1.0087976267671752
Energy: 1.0140635090678911
Energy: 1.0140685874932018
Energy: 1.0087976267671752
Energy: 1.0140635090678911
Energy: 1.0140685874932018
Energy: 1.0087976267671752
Energy: 1.0463028739608224
Energy: 0.9835987467553386
Energy: 1.0364367481805326
Energy: 1.0463028739605693
Energy: 0.9835987467558446
Energy: 1.0364367481802796
Energy: 1.0463028739605693
Energy: 0.9835987467553386
Energy: 1.0364367481802796
Energy: 1.0463028739608224
Energy: 1.0014666415114486
Energy: 0.9813940393821825
Energy: 1.0032571109365975
Energy: 1.0014666415112186
Energy: 0.9813940393824354
Energy: 1.0032571109371031
Energy: 1.0014666415114486
Energy: 0.9813940393824354
Energy: 1.0032571109368733
Energy: 1.0014666415112186
Energy: 1.0368225163730311
Energy: 0.9807219333656249
Energy: 1.0788468592198543
Energy: 1.0368225163730311
Energy: 0.9807219333656249
Energy: 1.07884685921859
Energy: 1.036822516373261
Energy: 0.9807219333656249
Energy: 1.0788468592201075
Energy: 1.036822516373261
Energy: 1.0448672577232894
Energy: 0.9834150208789267
Energy: 1.0026817232079643
Energy: 1.0448672577232894
Energy: 0.9834150208789267
Energy: 1.002681723206953
Energy: 1.0448672577232894
Energy: 0.9834150208791796
Energy: 1.0026817232079643
Energy: 1.0448672577235425
Energy: 0.9810328769100704
Energy: 1.072154423058452
Energy: 1.0331264828710816
Energy: 0.9810328769098174
Energy: 1.072154423058452
Energy: 1.0331264828708284
Energy: 0.9810328769100704
Energy: 1.072154423058452
Energy: 1.0331264828710816
Energy: 0.9810328769100704
Energy: 0.9831534397543208
Energy: 0.9811369047839297
Energy: 1.0343191944108916
Energy: 0.983153439753815
Energy: 0.9811369047834239
Energy: 1.0343191944108916
Energy: 0.9831534397530562
Energy: 0.9811369047841826
Energy: 1.0343191944108916
Energy: 0.9831534397528033
Energy: 1.0902358735529871
Energy: 1.027443730423604
Energy: 1.027461408270619
Energy: 1.0902358735537458
Energy: 1.0274437304220863
Energy: 1.027461408270619
Energy: 1.0902358735524813
Energy: 1.0274437304243624
Energy: 1.027461408270619
Energy: 1.0902358735527342
Energy: 0.983098774466165
Energy: 1.0342468430680654
Energy: 0.9811679144262532
Energy: 0.9830987744654063
Energy: 1.0342468430680654
Energy: 0.9811679144265061
Energy: 0.9830987744651534
Energy: 1.0342468430678124
Energy: 0.9811679144265061
Energy: 0.9830987744654063
Energy: 0.9810356531757652
Energy: 1.0330640505491562
Energy: 1.0721098100200617
Energy: 0.9810356531757652
Energy: 1.033064050549409
Energy: 1.0721098100198088
Energy: 0.9810356531760182
Energy: 1.033064050549409
Energy: 1.0721098100198088
Energy: 0.9810356531760182
Energy: 1.044451500949874
Energy: 1.0026530504869289
Energy: 0.9834060976429883
Energy: 1.0444515009491153
Energy: 1.0026530504866988
Energy: 0.9834060976427352
Energy: 1.044451500949874
Energy: 1.002653050486423
Energy: 0.9834060976427352
Energy: 1.0444515009501267
Energy: 1.0369061168313216
Energy: 1.0797315417000501
Energy: 0.9807987052323199
Energy: 1.0369061168313216
Energy: 1.0797315417000501
Energy: 0.9807987052323199
Energy: 1.0369061168310458
Energy: 1.0797315416997972
Energy: 0.9807987052318141
Energy: 1.0369061168315516

minimum gb energy = 0.980721933365119 eV
minimum distance =  2.30530651552631 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.0006057060328852
Energy: 1.0016288469437644
Energy: 1.0013866185648894
Energy: 1.0006057060328852
Energy: 1.0016288469446788
Energy: 1.0013866185639753
Energy: 1.0006057060328852
Energy: 1.0016288469437644
Energy: 1.0013866185648894
Energy: 1.0006057060328852
Energy: 0.9989325524928128
Energy: 1.0011644900729664
Energy: 1.0008142692689677
Energy: 0.9989325524914413
Energy: 1.0011644900729664
Energy: 1.0008142692689677
Energy: 0.9989325524909843
Energy: 1.0011644900729664
Energy: 1.0008142692685107
Energy: 0.9989325524914413
Energy: 0.9997558297137874
Energy: 1.0005739183576057
Energy: 1.0832953790174795
Energy: 0.9997558297137874
Energy: 1.0005739183571487
Energy: 1.0832953790179367
Energy: 0.9997558297137874
Energy: 1.0005739183576057
Energy: 1.0832953790174795
Energy: 0.9997558297137874
Energy: 1.0830704639871864
Energy: 1.000483846463281
Energy: 0.99975784249912
Energy: 1.0830704639876438
Energy: 1.000483846463281
Energy: 0.99975784249912
Energy: 1.0830704639871864
Energy: 1.0004838464646522
Energy: 0.99975784249912
Energy: 1.0830704639862725
Energy: 1.0006802965242996
Energy: 1.0013443325769436
Energy: 0.9989442451220685
Energy: 1.0006802965247565
Energy: 1.0013443325769436
Energy: 0.9989442451211543
Energy: 1.0006802965247565
Energy: 1.0013443325769436
Energy: 0.9989442451229829
Energy: 1.0006802965256707
Energy: 1.0016288469442218
Energy: 1.001386618564432
Energy: 1.0006057060328852
Energy: 1.0016288469451358
Energy: 1.0013866185639753
Energy: 1.0006057060333424
Energy: 1.0016288469442218
Energy: 1.001386618563518
Energy: 1.000605706032428
Energy: 1.0016288469451358
Energy: 1.0011644900729664
Energy: 1.0008142692685107
Energy: 0.9989325524918985
Energy: 1.0011644900729664
Energy: 1.0008142692685107
Energy: 0.9989325524928128
Energy: 1.0011644900729664
Energy: 1.0008142692689677
Energy: 0.9989325524896129
Energy: 1.0011644900729664
Energy: 1.0005739183571487
Energy: 1.0832953790179367
Energy: 0.9997558297137874
Energy: 1.0005739183571487
Energy: 1.083295379018394
Energy: 0.9997558297142444
Energy: 1.0005739183571487
Energy: 1.0832953790170226
Energy: 0.9997558297137874
Energy: 1.0005739183566915
Energy: 1.0004838464641952
Energy: 0.9997578424995771
Energy: 1.0830704639694009
Energy: 1.0004838464660237
Energy: 0.99975784249912
Energy: 1.083070463968944
Energy: 1.0004838464646522
Energy: 0.99975784249912
Energy: 1.083070463969858
Energy: 1.000483846463281
Energy: 1.0013443325764866
Energy: 0.9989442451220685
Energy: 1.0006802965238424
Energy: 1.0013443325769436
Energy: 0.998944245123897
Energy: 1.0006802965247565
Energy: 1.0013443325769436
Energy: 0.9989442451216114
Energy: 1.0006802965247565
Energy: 1.0013443325769436
Energy: 1.0013866185639753
Energy: 1.000605706032428
Energy: 1.0016288469451358
Energy: 1.001386618564432
Energy: 1.000605706032428
Energy: 1.0016288469460501
Energy: 1.0013866185648894
Energy: 1.000605706031971
Energy: 1.0016288469451358
Energy: 1.0013866185648894
Energy: 1.0008142692698818
Energy: 0.9989325524923555
Energy: 1.0011644900729664
Energy: 1.0008142692689677
Energy: 0.9989325524914413
Energy: 1.0011644900729664
Energy: 1.0008142692689677
Energy: 0.9989325524914413
Energy: 1.0011644900729664
Energy: 1.0008142692698818
Energy: 1.0832953790179367
Energy: 0.9997558297137874
Energy: 1.0005739183571487
Energy: 1.0832953790179367
Energy: 0.9997558297137874
Energy: 1.0005739183566915
Energy: 1.0832953790179367
Energy: 0.9997558297142444
Energy: 1.0005739183566915
Energy: 1.0832953790188509
Energy: 0.99975784249912
Energy: 1.083070463968944
Energy: 1.0004838464641952
Energy: 0.9997578424995771
Energy: 1.0830704639671154
Energy: 1.0004838464628238
Energy: 0.99975784249912
Energy: 1.0830704639671154
Energy: 1.0004838464641952
Energy: 0.99975784249912
Energy: 0.9989442451234397
Energy: 1.0006802965238424
Energy: 1.0013443325769436
Energy: 0.998944245124354
Energy: 1.0006802965233854
Energy: 1.0013443325774007
Energy: 0.9989442451206972
Energy: 1.0006802965256707
Energy: 1.0013443325769436
Energy: 0.9989442451225256
Energy: 1.0006057060328852
Energy: 1.0016288469442218
Energy: 1.0013866185630609
Energy: 1.0006057060333424
Energy: 1.0016288469437644
Energy: 1.0013866185621467
Energy: 1.000605706032428
Energy: 1.0016288469442218
Energy: 1.0013866185648894
Energy: 1.0006057060333424
Energy: 0.9989325524914413
Energy: 1.0011644900729664
Energy: 1.0008142692689677
Energy: 0.9989325524918985
Energy: 1.0011644900729664
Energy: 1.0008142692689677
Energy: 0.9989325524914413
Energy: 1.0011644900729664
Energy: 1.0008142692689677
Energy: 0.9989325524918985
Energy: 0.9997558297137874
Energy: 1.0005739183576057
Energy: 1.0832953790161084
Energy: 0.9997558297142444
Energy: 1.0005739183566915
Energy: 1.0832953790170226
Energy: 0.9997558297137874
Energy: 1.0005739183576057
Energy: 1.0832953790174795
Energy: 0.9997558297137874
Energy: 1.0830704639666584
Energy: 1.0004838464655665
Energy: 0.99975784249912
Energy: 1.0830704639684867
Energy: 1.0004838464646522
Energy: 0.99975784249912
Energy: 1.0830704639680298
Energy: 1.0004838464664807
Energy: 0.99975784249912
Energy: 1.0830704639684867
Energy: 1.0006802965242996
Energy: 1.0013443325769436
Energy: 0.9989442451206972
Energy: 1.0006802965233854
Energy: 1.0013443325769436
Energy: 0.9989442451220685
Energy: 1.0006802965247565
Energy: 1.0013443325774007
Energy: 0.9989442451211543
Energy: 1.0006802965247565
Energy: 1.0016288469437644
Energy: 1.0013866185653464
Energy: 1.0006057060328852
Energy: 1.0016288469446788
Energy: 1.0013866185653464
Energy: 1.000605706031971
Energy: 1.0016288469437644
Energy: 1.001386618564432
Energy: 1.000605706031971
Energy: 1.0016288469446788
Energy: 1.0011644900729664
Energy: 1.0008142692689677
Energy: 0.9989325524914413
Energy: 1.0011644900729664
Energy: 1.0008142692685107
Energy: 0.9989325524905271
Energy: 1.0011644900729664
Energy: 1.0008142692698818
Energy: 0.9989325524909843
Energy: 1.0011644900729664

minimum gb energy = 0.9989325524896129 eV
minimum distance =  2.32433874267469 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.027000152852423
Energy: 1.0293953914850997
Energy: 1.0168827741830415
Energy: 1.0093501245531127
Energy: 1.029395391483028
Energy: 1.0168827741830415
Energy: 1.0270001528586392
Energy: 1.0293953914850997
Energy: 1.016882774178897
Energy: 1.0093501245531127
Energy: 0.9791058996662627
Energy: 0.9722169046600189
Energy: 0.9656392680547514
Energy: 0.9791058996662627
Energy: 0.9722169046662351
Energy: 0.9656392680526794
Energy: 0.9791058996641906
Energy: 0.9722169046662351
Energy: 0.9656392680526794
Energy: 0.9791058996641906
Energy: 0.9986926497115935
Energy: 1.014632786155828
Energy: 1.140094189039173
Energy: 0.9986926497095214
Energy: 1.0146327861579
Energy: 1.1400941890412453
Energy: 0.9986926497115935
Energy: 1.0146327861579
Energy: 1.140094189039173
Energy: 0.9986926497115935
Energy: 0.9570867755537164
Energy: 1.013543857520362
Energy: 0.95673636636442
Energy: 0.9570867755537164
Energy: 1.013543857520362
Energy: 0.956736366362348
Energy: 0.9570867755537164
Energy: 1.013543857520362
Energy: 0.95673636636442
Energy: 0.9570867755537164
Energy: 0.9668596773020136
Energy: 0.972917656813397
Energy: 1.0371835199785748
Energy: 0.9668596773020136
Energy: 0.9729176568175412
Energy: 1.0371835199785748
Energy: 0.9668596773020136
Energy: 0.9729176568175412
Energy: 1.0371835199806465
Energy: 0.9668596773020136
Energy: 1.0025743333074977
Energy: 0.9672096393656618
Energy: 0.9525911700244197
Energy: 1.0025743333074977
Energy: 0.9672096393635897
Energy: 0.9525911700223477
Energy: 1.0025743333095698
Energy: 0.967209639367734
Energy: 0.9525911700244197
Energy: 1.0025743333095698
Energy: 1.0136479704155477
Energy: 1.032421624045078
Energy: 0.9800456562745611
Energy: 1.0134573451871627
Energy: 1.0324216240471502
Energy: 0.980045656272489
Energy: 1.0136479704155477
Energy: 1.0324216240471502
Energy: 0.980045656270417
Energy: 1.0134573451892348
Energy: 0.9708700484063884
Energy: 1.066367533923534
Energy: 1.0365205870874312
Energy: 0.9708700484063884
Energy: 1.0663675339214618
Energy: 1.0365205870874312
Energy: 0.9708700484043163
Energy: 1.0663675339256058
Energy: 1.0365205870874312
Energy: 0.9708700484043163
Energy: 0.9485320186492174
Energy: 0.9933541945720304
Energy: 0.9907271935974488
Energy: 0.9485320186430011
Energy: 0.9933723826505914
Energy: 0.9907331724063769
Energy: 0.9485320186388569
Energy: 0.9933541945720304
Energy: 0.9907271935995209
Energy: 0.9485320186450732
Energy: 0.9710815006087516
Energy: 1.0423390814057036
Energy: 0.9828880044965839
Energy: 0.9710756095505574
Energy: 1.0423390814057036
Energy: 0.9822689543082216
Energy: 0.9710815006046074
Energy: 1.0423390814057036
Energy: 0.9828880044965839
Energy: 0.9710756095484854
Energy: 1.0257326551834594
Energy: 0.9401751165223288
Energy: 1.023810782083776
Energy: 1.0257326551876036
Energy: 0.9401751165202568
Energy: 1.0238107820879203
Energy: 1.0257326551855315
Energy: 0.9401751165161125
Energy: 1.0238107820879203
Energy: 1.0257326551834594
Energy: 1.034718610744384
Energy: 0.9492177904996226
Energy: 1.12107126747865
Energy: 1.0347186107423119
Energy: 0.9492197682053428
Energy: 1.12107126747865
Energy: 1.0347186107381676
Energy: 0.9492177904913344
Energy: 1.1210712674807222
Energy: 1.0347186107402397
Energy: 1.0626156423985014
Energy: 0.9563170202351918
Energy: 0.9849283758449364
Energy: 1.0626156424005735
Energy: 0.9563170202372638
Energy: 0.9849283758428643
Energy: 1.0626156423985014
Energy: 0.956317020239336
Energy: 0.9849283758470084
Energy: 1.0626156423985014
Energy: 0.95299712263623
Energy: 0.9521395170713579
Energy: 0.9485054137849579
Energy: 0.9529971226341579
Energy: 0.9521395170692858
Energy: 0.94850541378703
Energy: 0.9529971226403742
Energy: 0.9521395170692858
Energy: 0.9485054137849579
Energy: 0.9529971226424463
Energy: 1.0309066683704207
Energy: 1.0643930548089122
Energy: 0.9634243826657639
Energy: 1.0309066683662769
Energy: 1.0643930548089122
Energy: 0.9634247896500208
Energy: 1.0309066683621326
Energy: 1.06439305480684
Energy: 0.963424382667836
Energy: 1.0309066683683488
Energy: 0.9622184526487564
Energy: 0.9780452150661268
Energy: 1.0823715837330428
Energy: 0.9622184526446123
Energy: 0.9780452150661268
Energy: 1.0823715837351149
Energy: 0.9622184526466844
Energy: 0.9780452150620205
Energy: 1.0823715837330428
Energy: 0.9622184526508286
Energy: 0.9815757923860114
Energy: 1.0293002582910669
Energy: 1.010465710901934
Energy: 0.9815757923860114
Energy: 1.0293002582910669
Energy: 1.0104657110200046
Energy: 0.9815757923839393
Energy: 1.0293002582889947
Energy: 1.0104657112561082
Energy: 0.9815757923839393
Energy: 0.9758707084538897
Energy: 0.9733833929043821
Energy: 0.9644443859268739
Energy: 0.9758707084559619
Energy: 0.9733833929023101
Energy: 0.9644443859268739
Energy: 0.9758707084538897
Energy: 0.9733833929023101
Energy: 0.9644443859310181
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Energy: 0.9644396344582113
Energy: 0.9647857104240071
Energy: 0.9844919096762282
Energy: 0.9644396344602835
Energy: 0.9647857104260791
Energy: 0.984491909674156
Energy: 0.9644396344561392
Energy: 0.9647857104281512
Energy: 0.9844919096679776
Energy: 0.9644396344561392
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Energy: 0.9632939043858533
Energy: 0.9983907569008404
Energy: 1.0663266141011902
Energy: 0.9632939043837812
Energy: 0.9983907569029125
Energy: 1.0663266140970462
Energy: 0.9632939043858533
Energy: 0.9983907569008404
Energy: 1.066326614094974
Energy: 1.0045014844820792
Energy: 0.9725394511118051
Energy: 1.1033510812134748
Energy: 1.0045014844841513
Energy: 0.9725394511118051
Energy: 1.1033510812134748
Energy: 1.0045014844882953
Energy: 0.972539451107661
Energy: 1.1033510812134748
Energy: 1.0045014844862235
Energy: 1.0145649497848033
Energy: 0.993348118280693
Energy: 0.9534866788389555
Energy: 1.0145649497827314
Energy: 0.993348118282765
Energy: 0.9534866788389555
Energy: 1.0145649497868754
Energy: 0.993348118280693
Energy: 0.9534866788389555
Energy: 1.0145649497889475
Energy: 1.0195829693591925
Energy: 1.0131095535024122
Energy: 1.027094491288124
Energy: 1.019585028457198
Energy: 1.0131091456316836
Energy: 1.027094491290196
Energy: 1.0195829693509042
Energy: 1.0131095535044843
Energy: 1.027094491288124
Energy: 1.0195850284634143
Energy: 0.9580500398810596
Energy: 0.977473435992319
Energy: 0.9389280141526033
Energy: 0.9580500398789876
Energy: 0.9774734359881748
Energy: 0.9389280141526033
Energy: 0.9580500398769155
Energy: 0.9774734359881748
Energy: 0.9389280141526033
Energy: 0.9580500398789876
Energy: 1.0281120395826062
Energy: 0.9948978642778495
Energy: 1.0258873688520418
Energy: 1.0281120395887846
Energy: 0.9948978642799217
Energy: 1.0258873688499697
Energy: 1.0281120395867502
Energy: 0.9948978642819937
Energy: 1.0258873688499697
Energy: 1.0281120395826062
Energy: 0.9712726682170337
Energy: 1.0371004728016917
Energy: 1.0191012455464774
Energy: 0.9712702249008617
Energy: 1.0371004728037638
Energy: 1.019101245544405
Energy: 0.9712726682170337
Energy: 1.0371004728016917
Energy: 1.0191012455464774
Energy: 0.9712702248946455
Energy: 1.0454467598114114
Energy: 0.9424890841104195
Energy: 1.020848148203418
Energy: 1.0454467598114114
Energy: 0.9424890841145637
Energy: 1.020848148203418
Energy: 1.0454467598114114
Energy: 0.9424890841145637
Energy: 1.0208481481992737
Energy: 1.0454467598134836
Energy: 0.9728033629545139
Energy: 0.9735273974897
Energy: 1.1425109652842322
Energy: 0.972803362956586
Energy: 0.9735273974897
Energy: 1.1425109652842322
Energy: 0.972803362958658
Energy: 0.9735273974897
Energy: 1.1425109652800878
Energy: 0.972803362956586
Energy: 1.0254920021192742
Energy: 0.9459639823965028
Energy: 0.9820868765707864
Energy: 1.02445324911542
Energy: 0.945686684355552
Energy: 0.9820868765728585
Energy: 1.0254920021213465
Energy: 0.9459639824068632
Energy: 0.9820868765728585
Energy: 1.02445324911542
Energy: 0.9763491275190168
Energy: 0.9542489624093649
Energy: 1.0367348222800319
Energy: 0.9763491275169448
Energy: 0.9542489624052208
Energy: 1.0367348222800319
Energy: 0.9763491275190168
Energy: 0.9542489624114371
Energy: 1.0367348222800319
Energy: 0.9763491275210889
Energy: 1.050654373341912
Energy: 1.0458444238110738
Energy: 0.9679491504296514
Energy: 1.050654373341912
Energy: 1.0458444238069673
Energy: 0.9679450268133905
Energy: 1.050654373335696
Energy: 1.0458444238048952
Energy: 0.9679491504317234
Energy: 1.050654373337768
Energy: 0.943302730932097
Energy: 1.0470282614606847
Energy: 1.0863419493516457
Energy: 0.943302730934169
Energy: 1.0470282614627566
Energy: 1.0863419493537176
Energy: 0.9433027309279528
Energy: 1.0470282614606847
Energy: 1.0863419493537176
Energy: 0.9433027309258808
Energy: 1.0260686416622986
Energy: 1.0814775718133631
Energy: 0.9950508225154203
Energy: 1.0085753328845632
Energy: 1.081477571811291
Energy: 0.9950508225174926
Energy: 1.0260686416602267
Energy: 1.0814775718154352
Energy: 0.9950508225154203
Energy: 1.0085753328866351
Energy: 1.025836274919487
Energy: 0.9560736048076104
Energy: 1.0676868170647145
Energy: 1.0086290966598233
Energy: 0.9560736048076104
Energy: 1.0707035350860006
Energy: 1.0258362749277752
Energy: 0.9560736048076104
Energy: 1.0676868170605704
Energy: 1.0086290966556792
Energy: 0.9435612860627678
Energy: 1.037499001776247
Energy: 0.9789010191040518
Energy: 0.9435612860606957
Energy: 1.0374990017783192
Energy: 0.9789010191019798
Energy: 0.9435612860648398
Energy: 1.0374990017824635
Energy: 0.9789010190999076
Energy: 0.943561286066912
Energy: 0.9883214414491116
Energy: 0.969390523670848
Energy: 0.955406805299597
Energy: 0.9883214414511837
Energy: 0.969390523670848
Energy: 0.9554068053016691
Energy: 0.9883214414491116
Energy: 0.969390523668776
Energy: 0.9554068053016691
Energy: 0.9883214414470396
Energy: 0.9771866984286177
Energy: 1.0863035659377944
Energy: 0.9470983007556919
Energy: 0.9771866984244736
Energy: 1.08630356593365
Energy: 0.9468073361567466
Energy: 0.9771866984265456
Energy: 1.086303565929506
Energy: 0.947098300757764
Energy: 0.9771866984306898
Energy: 1.087714540718582
Energy: 1.021747074451001
Energy: 0.9489802273954827
Energy: 1.087714540720654
Energy: 1.021747074451001
Energy: 0.9489802273975547
Energy: 1.087714540718582
Energy: 1.021747074451001
Energy: 0.948980227401699
Energy: 1.0877145407144377
Energy: 0.9576674845567646
Energy: 1.0912540059727869
Energy: 0.9744365111894048
Energy: 0.9576674845567646
Energy: 1.0912540059707148
Energy: 0.9744365112121977
Energy: 0.9576674845567646
Energy: 1.0912540059727869
Energy: 0.9744365112018373
Energy: 0.9576674845567646
Energy: 1.093563632607817
Energy: 1.0142817668085304
Energy: 0.9432955496863968
Energy: 1.093563632611961
Energy: 1.0142817668106026
Energy: 0.943295549688469
Energy: 1.093563632607817
Energy: 1.0142817668147466
Energy: 0.9432955496863968
Energy: 1.093563632605745
Energy: 0.9703458870093846
Energy: 1.0256297353465649
Energy: 1.02798630940981
Energy: 0.9703458870073125
Energy: 1.0256297353465649
Energy: 1.0279863094077382
Energy: 0.9703458870031684
Energy: 1.0256297353507091
Energy: 1.0279863094077382
Energy: 0.9703458870073125
Energy: 1.0615104368104666
Energy: 0.9941879322331761
Energy: 0.9925279287770332
Energy: 1.0615104368146109
Energy: 0.9942932246829319
Energy: 0.9927481242973746
Energy: 1.0615104368104666
Energy: 0.994187932229032
Energy: 0.9925279287749611
Energy: 1.0615104368063224
Energy: 0.9486684308892466
Energy: 0.9407828555938856
Energy: 1.0299104174300624
Energy: 0.9486684308871746
Energy: 0.9407828555938856
Energy: 1.0299104174279903
Energy: 0.9486684308892466
Energy: 0.9407828555938856
Energy: 1.0299104174279903
Energy: 0.9486684308913186
Energy: 1.0136981103631428
Energy: 1.0393664217514937
Energy: 1.0135590868610553
Energy: 1.0136981103631428
Energy: 1.0393664217514937
Energy: 1.0135590868631275
Energy: 1.0136981103652152
Energy: 1.0393664217514937
Energy: 1.0135590868631275
Energy: 1.0136981103652152
Energy: 0.9841045519784227
Energy: 0.9487970475204278
Energy: 1.0072547755874552
Energy: 0.9841045519763506
Energy: 0.948797492893589
Energy: 1.0072547755874552
Energy: 0.9841045519784227
Energy: 0.9487970475224999
Energy: 1.0072547755874552
Energy: 0.9841045519784227
Energy: 0.9760725683651603
Energy: 0.9749746393292161
Energy: 1.0834547384300164
Energy: 0.9760725683630882
Energy: 0.9749746393292161
Energy: 1.0834547384300164
Energy: 0.9760725683651603
Energy: 0.9749746393312881
Energy: 1.0834547384300164
Energy: 0.9760725683672323
Energy: 0.9696501952044794
Energy: 0.9875116703467843
Energy: 0.9642081437541624
Energy: 0.9696501952024073
Energy: 0.9875116703488563
Energy: 0.9642076968296944
Energy: 0.9696501951982631
Energy: 0.9875116703550726
Energy: 0.9642081437500185
Energy: 0.9696501952003351
Energy: 0.943372848839115
Energy: 0.9890043959120605
Energy: 1.0933875152370027
Energy: 0.9433728488349709
Energy: 0.9890043959099885
Energy: 1.0933875152328585
Energy: 0.943372848837043
Energy: 0.9890043959120605
Energy: 1.0933875152307866
Energy: 0.943372848839115
Energy: 0.9732744941303549
Energy: 1.0796640843525294
Energy: 0.9572310380580881
Energy: 0.9732744941303549
Energy: 1.0796640843525294
Energy: 0.9572310380539438
Energy: 0.9732744941303549
Energy: 1.0796640843546013
Energy: 0.957231038056016
Energy: 0.9732744941303549

minimum gb energy = 0.9389280141526033 eV
minimum distance =  2.27982376155633 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.9098790580652866
Energy: 0.9210889710885215
Energy: 0.9201513122211051
Energy: 0.9098790580660414
Energy: 0.9210889710885215
Energy: 0.9201513122211051
Energy: 0.9098790580652866
Energy: 0.9210889710885215
Energy: 0.9201513122211051
Energy: 0.9098790580660414
Energy: 0.9329984087190456
Energy: 0.8878137974798508
Energy: 0.901298466336037
Energy: 0.9329984087182908
Energy: 0.8878137974798508
Energy: 0.901298466336037
Energy: 0.9329984087190456
Energy: 0.8878137974806057
Energy: 0.901298466336037
Energy: 0.9329984087190456
Energy: 1.0068451787493566
Energy: 0.879671542798812
Energy: 1.0897441434849622
Energy: 1.0068451787501114
Energy: 0.879671542798812
Energy: 1.0897441450107053
Energy: 1.0068451787501114
Energy: 0.879671542798812
Energy: 1.0897441486325827
Energy: 1.0068451787501114
Energy: 1.0003204348509287
Energy: 1.004646211810015
Energy: 0.935270902880365
Energy: 1.0003204348516834
Energy: 1.004646211803221
Energy: 0.935270902880365
Energy: 1.0003204348516834
Energy: 1.0046462118069952
Energy: 0.935270902880365
Energy: 1.0003204348516834
Energy: 0.9349944110651054
Energy: 0.8969955515091538
Energy: 0.9848080326107528
Energy: 0.9349944110651054
Energy: 0.8969955515091538
Energy: 0.9848080326099978
Energy: 0.9349944110658603
Energy: 0.8969955515091538
Energy: 0.9848080326107528
Energy: 0.9349944110651054
Energy: 0.9352862566548634
Energy: 1.0359199221032083
Energy: 0.8876035447785462
Energy: 0.9352862566548634
Energy: 1.0359199221024535
Energy: 0.8876035447785462
Energy: 0.9352862566541086
Energy: 1.0359199221039632
Energy: 0.8876035447785462
Energy: 0.9352862566548634
Energy: 0.9331331254913201
Energy: 0.9085518853141078
Energy: 0.879694822197014
Energy: 0.9331331254913201
Energy: 0.9085518853141078
Energy: 0.879694822197014
Energy: 0.9331331254913201
Energy: 0.9085518853141078
Energy: 0.879694822197014
Energy: 0.9331331254905652
Energy: 0.9201937618937676
Energy: 1.054832994615073
Energy: 0.8934577323935589
Energy: 0.9201937618937676
Energy: 1.054832994615073
Energy: 0.8934577323912941
Energy: 0.9201937618937676
Energy: 1.054832994615828
Energy: 0.8934577323943137
Energy: 0.9201937618937676
Energy: 1.0310002070199697
Energy: 0.8980261820498275
Energy: 0.8967741546779522
Energy: 1.0310002070199697
Energy: 0.8980261820498275
Energy: 0.8967741546771973
Energy: 1.0310002070207247
Energy: 0.8980261820498275
Energy: 0.8967741546779522
Energy: 1.0310002070207247
Energy: 0.9986879480514254
Energy: 0.9210752309062317
Energy: 0.995759725371273
Energy: 0.9986879480536901
Energy: 0.9210752309062317
Energy: 0.9957616175114098
Energy: 0.9986879480514254
Energy: 0.9210752309069865
Energy: 0.9957596483119956
Energy: 0.9986879480529353
Energy: 0.9759775738527314
Energy: 0.8856641406567407
Energy: 0.9288924524966167
Energy: 0.9759775738527314
Energy: 0.8856641406567407
Energy: 0.9212306338128586
Energy: 0.9759775738534863
Energy: 0.8856641406567407
Energy: 0.9212306338128586
Energy: 0.9759775738534863
Energy: 0.9299872464509089
Energy: 0.8911314028389122
Energy: 0.8917435634896191
Energy: 0.9299872464509089
Energy: 0.8911314028389122
Energy: 0.891743563490374
Energy: 0.9299872464509089
Energy: 0.8911314028389122
Energy: 0.891743563490374
Energy: 0.9299872464509089
Energy: 0.896941366433027
Energy: 1.0689374702069778
Energy: 0.8969171936668899
Energy: 0.896941366433027
Energy: 1.0689374702062229
Energy: 0.8969171936668899
Energy: 0.896941366433027
Energy: 1.0689374702077326
Energy: 0.8969171936668899
Energy: 0.896941366433027
Energy: 0.901585872482278
Energy: 0.889098526920131
Energy: 0.8956813655923521
Energy: 0.9015858724830328
Energy: 0.889098526920131
Energy: 0.8956813655923521
Energy: 0.901585872482278
Energy: 0.889098526920131
Energy: 0.8956813655915973
Energy: 0.9015858724830328

minimum gb energy = 0.879671542798812 eV
minimum distance =  2.29261787169228 Angstroms
sigma value = 33