Model name: model_name=MEAM_LAMMPS_LeeLeeKim_2006_FeN__MO_432861766738_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657340407371
cohesive_energy=4.290337405487055
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013214710006175967
Energy: 0.013770023879027784
Energy: 0.013508359125952838
Energy: 0.013770023879027784
Energy: 0.013214710006175967
Energy: 0.013770023879027784
Energy: 0.013770023879027784
Energy: 2.7245937478451068
Energy: 0.013770023879027784
Energy: 2.7245937478451068
Energy: 0.013770023879027784
Energy: 2.7245937478451068
Energy: 0.013508359125952838
Energy: 0.013770023879027784
Energy: 0.013214710006175967
Energy: 0.013770023879027784
Energy: 0.0135083591264526
Energy: 0.013770023879027784
Energy: 0.013770023879027784
Energy: 2.7245937478451068
Energy: 0.013770023879027784
Energy: 2.7245937478451068
Energy: 0.013770023879027784
Energy: 2.7245937478451068
Energy: 0.013214710006175967
Energy: 0.013770023879027784
Energy: 0.013508359125952838
Energy: 0.013770023879027784
Energy: 0.013214710006175967
Energy: 0.013770023879027784
Energy: 0.013770023879027784
Energy: 2.7245937478446067
Energy: 0.013770023879027784
Energy: 2.7245937478451068
Energy: 0.013770023879027784
Energy: 2.724593747845606

minimum gb energy = 0.013214710006175967 eV
minimum distance =  2.37983666463209 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.3492738754457687
Energy: 1.2980415418446982
Energy: 1.2607387035348099
Energy: 1.2980415418446982
Energy: 1.3492738754457687
Energy: 1.298041541843495
Energy: 1.355663489160295
Energy: 1.2700045879119581
Energy: 1.361029342769871
Energy: 1.270004588029796
Energy: 1.355663489160295
Energy: 1.2700045880021822
Energy: 1.230158780306429
Energy: 1.2751816558360785
Energy: 1.3552579566968965
Energy: 1.2751816558348756
Energy: 1.230158780306429
Energy: 1.2751816558348756
Energy: 1.3954346512935087
Energy: 1.2459203994986003
Energy: 1.2763648898517648
Energy: 1.2459203994986003
Energy: 1.3954346512935087
Energy: 1.2459203994986003
Energy: 1.358725221715745
Energy: 1.2954244523166458
Energy: 1.293043596807284
Energy: 1.2954244523166458
Energy: 1.358725221715745
Energy: 1.2954244523166458
Energy: 1.3610260666150542
Energy: 1.2766916830131554
Energy: 1.2563578345721713
Energy: 1.2766916830143584
Energy: 1.3610260666126481
Energy: 1.2766916830143584
Energy: 1.3763768961348692
Energy: 1.275654329578046
Energy: 1.2686333137604706
Energy: 1.275654329578046
Energy: 1.3763768961348692
Energy: 1.275654329578046
Energy: 1.3709015919556118
Energy: 1.2969961851243956
Energy: 1.216616367384534
Energy: 1.2969961851255987
Energy: 1.3709015919568148
Energy: 1.2969961851255987
Energy: 1.3726735536072794
Energy: 1.2473598147230567
Energy: 1.3323107423338179
Energy: 1.2473598147218534
Energy: 1.3726735536060761
Energy: 1.2473598147218534
Energy: 1.348081056298431
Energy: 1.273109404015272
Energy: 1.2611719553896352
Energy: 1.2731094040140687
Energy: 1.348081056298431
Energy: 1.273109404015272
Energy: 1.3483692773980862
Energy: 1.2603009510767662
Energy: 1.3482263386487177
Energy: 1.2603009510743601
Energy: 1.3483692773980862
Energy: 1.2603009510827812
Energy: 1.225926392859788
Energy: 1.2963392436297865
Energy: 1.2364978017468815
Energy: 1.2963392436297865
Energy: 1.2259263928585848
Energy: 1.2963392436297865
Energy: 1.3573454439371704
Energy: 1.2603009513556946
Energy: 1.3348684875905215
Energy: 1.2603009513316894
Energy: 1.3573454439407795
Energy: 1.2603009513448677
Energy: 1.2618432231608796
Energy: 1.2727146864358307
Energy: 1.3475152781365616
Energy: 1.2727146864358307
Energy: 1.2618432231620826
Energy: 1.2727146864370338
Energy: 1.2730758980734063
Energy: 1.2474242185542905
Energy: 1.3830933351428354
Energy: 1.2474242185542905
Energy: 1.273075898210492
Energy: 1.2474242185542905
Energy: 1.232396276868845
Energy: 1.2967943800157042
Energy: 1.3728349892833354
Energy: 1.2967943800157042
Energy: 1.2323962778885384
Energy: 1.2967943800157042
Energy: 1.2655469060467415
Energy: 1.279078080526454
Energy: 1.362344959363489
Energy: 1.2790780805252513
Energy: 1.2655469060347115
Energy: 1.2790780805252513
Energy: 1.2570827040306825
Energy: 1.2766523514757415
Energy: 1.3832183344388485
Energy: 1.2766523514757415
Energy: 1.2570827040318857
Energy: 1.2766523514757415
Energy: 1.2908211770191975
Energy: 1.2997799326423756
Energy: 1.369533421491455
Energy: 1.2997799326435784
Energy: 1.2908211770179945
Energy: 1.2997799326423756
Energy: 1.272808708461671
Energy: 1.2456440585452055
Energy: 1.3918728316943316
Energy: 1.2456440585464084
Energy: 1.272808708462874
Energy: 1.2456440585452055
Energy: 1.3536933471932782
Energy: 1.275275237784035
Energy: 1.2301351082398755
Energy: 1.275275237784035
Energy: 1.3536933471932782
Energy: 1.275275237784035
Energy: 1.353844592468456
Energy: 1.2722152049223778
Energy: 1.3595723021844728
Energy: 1.2722151393395347
Energy: 1.353844592654864
Energy: 1.272215244823302
Energy: 1.2607387035336066
Energy: 1.2980415418446982
Energy: 1.3492738754457687
Energy: 1.2980415418446982
Energy: 1.2607387035336066
Energy: 1.2980415418446982

minimum gb energy = 1.216616367384534 eV
minimum distance =  2.28373321382579 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.8221929951297107
Energy: 1.3612854188125252
Energy: 1.335068798913977
Energy: 1.3612854188125252
Energy: 1.8221929951297107
Energy: 1.3612854188125252
Energy: 1.3671509606215035
Energy: 1.3322195855478245
Energy: 1.4556481170066584
Energy: 1.3322195855478245
Energy: 1.3671509606208192
Energy: 1.3322195855471404
Energy: 1.2811442174429695
Energy: 1.3726055851398222
Energy: 1.4677315732478986
Energy: 1.3726055851405063
Energy: 1.2811442174422851
Energy: 1.3726055851405063
Energy: 1.3773152569169855
Energy: 1.3172529802350001
Energy: 1.49462390897424
Energy: 1.3172529802356845
Energy: 1.3773152569169855
Energy: 1.3172529802350001
Energy: 1.373883337600766
Energy: 1.345667430744329
Energy: 1.4111997329588464
Energy: 1.345667430744329
Energy: 1.373883337600766
Energy: 1.345667430744329
Energy: 1.3671498902129413
Energy: 1.3464501695821836
Energy: 1.3068618453924217
Energy: 1.3464501695835522
Energy: 1.3671498902321002
Energy: 1.346450169582868
Energy: 1.372485165933787
Energy: 1.3384241566758774
Energy: 1.3980027877355479
Energy: 1.3384241566635606
Energy: 1.372485165976211
Energy: 1.3384241566683506
Energy: 1.3176811308413072
Energy: 1.3494579487908602
Energy: 1.6588469123734901
Energy: 1.349457948790176
Energy: 1.3176811308413072
Energy: 1.349457948789492
Energy: 1.3906156787370183
Energy: 1.3173220063103472
Energy: 1.4463900279434436
Energy: 1.3173220063110311
Energy: 1.3906156787370183
Energy: 1.3173220063110311
Energy: 1.3352514015541217
Energy: 1.3634960132435452
Energy: 1.3475396863747022
Energy: 1.3634960132435452
Energy: 1.3352514015541217
Energy: 1.3634960132435452
Energy: 1.3559020797226686
Energy: 1.3308753658836823
Energy: 1.4940687204690342
Energy: 1.3308753658836823
Energy: 1.3559020797213
Energy: 1.3308753658836823
Energy: 1.4715448974987946
Energy: 1.3443286762134508
Energy: 1.3310937889301062
Energy: 1.3443286762127666
Energy: 1.4715448974987946
Energy: 1.3443286762127666
Energy: 1.5283244091482993
Energy: 1.3276934017945647
Energy: 1.3798430800540338
Energy: 1.327693401795249
Energy: 1.5283244091414567
Energy: 1.327693401795249
Energy: 1.3967678677566757
Energy: 1.3728717605340788
Energy: 1.7292726488515557
Energy: 1.3728717605340788
Energy: 1.3967678677566757
Energy: 1.3728717605340788
Energy: 1.4893704685012672
Energy: 1.3393334440774027
Energy: 1.4325393523738503
Energy: 1.3393334440774027
Energy: 1.4893704685012672
Energy: 1.3393334440774027
Energy: 1.4812322306316164
Energy: 1.3407478173597764
Energy: 1.3241546628924439
Energy: 1.3407478173604608
Energy: 1.4812322306275107
Energy: 1.340747817361145
Energy: 1.5043225978994172
Energy: 1.339388004009121
Energy: 1.3460877566965828
Energy: 1.339388004009121
Energy: 1.5043225979001016
Energy: 1.339388004009121
Energy: 1.4875667224882336
Energy: 1.3350988544569906
Energy: 1.5087673799989119
Energy: 1.3350988544569906
Energy: 1.4875667224902862
Energy: 1.3350988544569906
Energy: 1.2943009916893522
Energy: 1.346467268224781
Energy: 1.6696266415797714
Energy: 1.346467268225434
Energy: 1.2943009916893522
Energy: 1.346467268224781
Energy: 1.3818859398355259
Energy: 1.317438372566224
Energy: 1.4893283616551576
Energy: 1.317438372566224
Energy: 1.38188593983621
Energy: 1.317438372566224
Energy: 1.4680670578447463
Energy: 1.3696718115784976
Energy: 1.320915133649593
Energy: 1.369671811579182
Energy: 1.4680670578440622
Energy: 1.3696718115784976
Energy: 1.353649592404123
Energy: 1.3343871850691909
Energy: 1.4858764375982947
Energy: 1.3343871850691909
Energy: 1.3536495924048073
Energy: 1.334387185069875
Energy: 1.3413979013999224
Energy: 1.3464828427662558
Energy: 1.421702699997109
Energy: 1.3464828427655715
Energy: 1.3413979013999224
Energy: 1.3464828427662558
Energy: 1.5800418365197824
Energy: 1.3329049532635235
Energy: 1.4720093402635968
Energy: 1.3329049532635235
Energy: 1.5800418365204667
Energy: 1.3329049532635235
Energy: 1.380062849511973
Energy: 1.3398117377842391
Energy: 1.4690304240206795
Energy: 1.3398117377849237
Energy: 1.3800628495126572
Energy: 1.3398117377842391
Energy: 1.4236817634735226
Energy: 1.3618307506677312
Energy: 1.3779242488597352
Energy: 1.361830751465913
Energy: 1.4236817634550478
Energy: 1.3618307516601476
Energy: 1.394394551135592
Energy: 1.3649808217338462
Energy: 1.3593685496291676
Energy: 1.364980821736583
Energy: 1.3943943710461844
Energy: 1.3649808217324777
Energy: 1.3726733000526894
Energy: 1.3398810760395161
Energy: 1.476371289161288
Energy: 1.3398810760395161
Energy: 1.3726733000396885
Energy: 1.3398810760395161
Energy: 1.5777881030990353
Energy: 1.3327233155518485
Energy: 1.4707702886006029
Energy: 1.3327233155518485
Energy: 1.577788103097667
Energy: 1.3327233155525327
Energy: 1.3342237039117193
Energy: 1.3447743642139922
Energy: 1.4840018786183993
Energy: 1.3447743642146763
Energy: 1.3342237039117193
Energy: 1.3447743642146763
Energy: 1.3714349690991259
Energy: 1.3343871850712437
Energy: 1.4866244631704941
Energy: 1.3343871850719278
Energy: 1.371434969097073
Energy: 1.3343871850705595
Energy: 1.4676447912168225
Energy: 1.3619529122744383
Energy: 1.3205446695475
Energy: 1.3619529122744383
Energy: 1.4676447912168225
Energy: 1.3619529122744383
Energy: 1.3822086526165083
Energy: 1.3174436885634357
Energy: 1.5300734381708403
Energy: 1.3174436885634357
Energy: 1.3822086526171922
Energy: 1.3174436885634357
Energy: 1.2942336805185444
Energy: 1.3456494560798973
Energy: 1.6002991776172428
Energy: 1.345649456081266
Energy: 1.2942336805185444
Energy: 1.3456494560798973
Energy: 1.5081554382676323
Energy: 1.3325927194329847
Energy: 1.4891388448813596
Energy: 1.3325927194336689
Energy: 1.5081554382676323
Energy: 1.3325927194329847
Energy: 1.504784129935395
Energy: 1.3439684361667916
Energy: 1.3475750554092223
Energy: 1.343968436166107
Energy: 1.504784129935395
Energy: 1.343968436166107
Energy: 1.4766176480865179
Energy: 1.343978524248222
Energy: 1.361735021832226
Energy: 1.3439785242489064
Energy: 1.4766176480865179
Energy: 1.343978524248222
Energy: 1.4752048658461219
Energy: 1.3419337225926835
Energy: 1.4720002067531845
Energy: 1.3419337225919992
Energy: 1.4752048658454378
Energy: 1.341933722594052
Energy: 1.3967665032675576
Energy: 1.368256166902827
Energy: 1.3854532653826483
Energy: 1.368256166902827
Energy: 1.3967665032675576
Energy: 1.368256166902827
Energy: 1.5654555444533502
Energy: 1.3284499505974174
Energy: 1.3813569726103245
Energy: 1.3284499505981018
Energy: 1.5654555444533502
Energy: 1.3284499505974174
Energy: 1.4715413444070913
Energy: 1.346685761884324
Energy: 1.3660624432658794
Energy: 1.346685761884324
Energy: 1.4715413444070913
Energy: 1.346685761884324

minimum gb energy = 1.2811442174422851 eV
minimum distance =  2.25766466562158 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.5758540126679752
Energy: 1.386174621335383
Energy: 1.428093080047025
Energy: 1.386174621335383
Energy: 1.5758540126679752
Energy: 1.386174621335383
Energy: 1.4178671496159396
Energy: 1.615674912022545
Energy: 1.7365476654045022
Energy: 1.615674912022545
Energy: 1.4178671496159396
Energy: 1.615674912022545
Energy: 1.290416401702709
Energy: 1.3861285928527658
Energy: 1.461188616965478
Energy: 1.3861285928511804
Energy: 1.290416401702709
Energy: 1.3861285928511804
Energy: 1.3699602474265304
Energy: 1.3334864416958587
Energy: 1.7351527797352548
Energy: 1.3334864416958587
Energy: 1.3699602474265304
Energy: 1.3334864416958587
Energy: 1.3167052980465581
Energy: 1.3570758626988018
Energy: 1.4473827015132943
Energy: 1.3570758626988018
Energy: 1.3167052980449727
Energy: 1.3570758626988018
Energy: 1.5899728854158834
Energy: 1.3334537385242995
Energy: 1.655333641563226
Energy: 1.3334537385242995
Energy: 1.5899728854158834
Energy: 1.333453738525885
Energy: 1.602661629105457
Energy: 1.3359861813127483
Energy: 1.5228946952575486
Energy: 1.3359861813127483
Energy: 1.602661629105457
Energy: 1.3359861813127483
Energy: 1.3251253737242064
Energy: 1.3366971802424201
Energy: 1.299979653240457
Energy: 1.3366971802424201
Energy: 1.3251253737210353
Energy: 1.3366971802424201
Energy: 1.7801428767788485
Energy: 1.3588499045823585
Energy: 1.3305759560535404
Energy: 1.358849904580773
Energy: 1.7801428767788485
Energy: 1.358849904580773
Energy: 1.320016123184327
Energy: 1.3860604869234079
Energy: 1.2893752822022062
Energy: 1.3860604869249933
Energy: 1.320016123184327
Energy: 1.3860604869249933
Energy: 1.7778743901099319
Energy: 1.3350090848392298
Energy: 1.7399373583032653
Energy: 1.3350090848392298
Energy: 1.7778743901099319
Energy: 1.3350090848408152
Energy: 1.5757408980350884
Energy: 1.38641750582759
Energy: 1.7241486895695883
Energy: 1.3864175058260046
Energy: 1.5757408980350884
Energy: 1.3864175058260046
Energy: 1.507661117981116
Energy: 1.334624001909951
Energy: 1.692897437556281
Energy: 1.334624001909951
Energy: 1.507661117981116
Energy: 1.334624001909951
Energy: 1.2902855777175062
Energy: 1.3866050206157758
Energy: 1.6361782547732082
Energy: 1.3866050206141904
Energy: 1.2902855777175062
Energy: 1.3866050206141904
Energy: 1.3134037915720396
Energy: 1.3834005231125952
Energy: 1.6519544448051084
Energy: 1.3834005233598103
Energy: 1.3134037915720396
Energy: 1.383400523107839
Energy: 1.3303294107552877
Energy: 1.3369652504683422
Energy: 1.625486307224226
Energy: 1.3369652504683422
Energy: 1.3303294107552877
Energy: 1.3369652504683422
Energy: 1.5902448306421801
Energy: 1.3849265520764396
Energy: 1.7102793449316
Energy: 1.3849265520764396
Energy: 1.5902448306421801
Energy: 1.3849265520748542
Energy: 1.6602407826869348
Energy: 1.336078966902996
Energy: 1.6882542200549013
Energy: 1.336078966902996
Energy: 1.6602407826853496
Energy: 1.336078966902996

minimum gb energy = 1.2893752822022062 eV
minimum distance =  2.25158249133963 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.7183287730597767
Energy: 1.438449473613779
Energy: 1.3736788309575567
Energy: 1.438449473614719
Energy: 1.7183287730597767
Energy: 1.438449473613779
Energy: 1.3378961406197514
Energy: 1.5440692109798617
Energy: 1.480495366241931
Energy: 1.5440692109798617
Energy: 1.3378961406197514
Energy: 1.5440692109808023
Energy: 1.3128741130454349
Energy: 1.445243443281576
Energy: 1.5072548276401871
Energy: 1.445243443281576
Energy: 1.3128741130454349
Energy: 1.445243443281576
Energy: 1.4139707593905837
Energy: 1.4065081766420333
Energy: 1.643947881934623
Energy: 1.4065081766420333
Energy: 1.4139707593905837
Energy: 1.4065081766420333
Energy: 1.3802476644581758
Energy: 1.4374908215235154
Energy: 1.6557419165690725
Energy: 1.4374908215235154
Energy: 1.3802476644581758
Energy: 1.4374908215235154
Energy: 1.5923245634442942
Energy: 1.4598909740320694
Energy: 1.384885909976421
Energy: 1.4598909740320694
Energy: 1.5923245634452345
Energy: 1.4598909740320694
Energy: 1.5930376218282545
Energy: 1.4066185505689819
Energy: 1.4316452759088858
Energy: 1.4066185505699225
Energy: 1.5930376218348372
Energy: 1.4066185505689819
Energy: 1.511549450059074
Energy: 1.4466616269865082
Energy: 1.312832305121646
Energy: 1.4466616269865082
Energy: 1.511549450059074
Energy: 1.4466616269865082
Energy: 1.501874541872635
Energy: 1.5482927033540737
Energy: 1.3417664347581115
Energy: 1.5482927033540737
Energy: 1.5018745418716943
Energy: 1.5482927033540737
Energy: 1.3736788309575567
Energy: 1.438449473614719
Energy: 1.718328773060717
Energy: 1.438449473614719
Energy: 1.3736788309575567
Energy: 1.438449473613779
Energy: 1.4804953671678354
Energy: 1.5440692109808023
Energy: 1.3378961406197514
Energy: 1.5440692109808023
Energy: 1.4804953674470103
Energy: 1.5440692109808023
Energy: 1.5072548276401871
Energy: 1.445243443281576
Energy: 1.3128741130454349
Energy: 1.4452434432806354
Energy: 1.5072548276411275
Energy: 1.445243443281576
Energy: 1.643947881934623
Energy: 1.4065081766429737
Energy: 1.352959421198115
Energy: 1.4065081766429737
Energy: 1.643947881934623
Energy: 1.4065081766420333
Energy: 1.7122246193322466
Energy: 1.4374908215235154
Energy: 1.3802476644581758
Energy: 1.4374908215235154
Energy: 1.7122246193322466
Energy: 1.4374908215235154
Energy: 1.384885909976421
Energy: 1.4598909740320694
Energy: 1.5923245634452345
Energy: 1.4598909740320694
Energy: 1.384885909976421
Energy: 1.4598909740320694
Energy: 1.4316452759088858
Energy: 1.4066185505689819
Energy: 1.5930376218583262
Energy: 1.4066185505689819
Energy: 1.4316452759088858
Energy: 1.4066185505689819
Energy: 1.312832305121646
Energy: 1.4466616269865082
Energy: 1.511549450059074
Energy: 1.4466616269865082
Energy: 1.312832305121646
Energy: 1.4466616269865082
Energy: 1.3417664347581115
Energy: 1.5482927033540737
Energy: 1.5018745418792179
Energy: 1.5482927033540737
Energy: 1.3417664347590523
Energy: 1.5482927033540737
Energy: 1.7183287730597767
Energy: 1.438449473614719
Energy: 1.4114555157111424
Energy: 1.438449473613779
Energy: 1.7183287730597767
Energy: 1.438449473614719
Energy: 1.337896140620692
Energy: 1.5440692109808023
Energy: 1.4804953675804855
Energy: 1.5440692109798617
Energy: 1.3378961406197514
Energy: 1.5440692109808023
Energy: 1.3128741130454349
Energy: 1.445243443281576
Energy: 1.5072548276392468
Energy: 1.445243443281576
Energy: 1.3128741130454349
Energy: 1.445243443281576
Energy: 1.3529594211971745
Energy: 1.4065081766420333
Energy: 1.643947881934623
Energy: 1.4065081766420333
Energy: 1.3529594211971745
Energy: 1.4065081766420333
Energy: 1.3802476644581758
Energy: 1.4374908215235154
Energy: 1.7122246193322466
Energy: 1.4374908215235154
Energy: 1.3802476644581758
Energy: 1.4374908215235154
Energy: 1.5923245634452345
Energy: 1.4598909740320694
Energy: 1.384885909976421
Energy: 1.4598909740320694
Energy: 1.592324563446175
Energy: 1.4598909740320694
Energy: 1.5930376218479818
Energy: 1.4066185505699225
Energy: 1.4316452759088858
Energy: 1.4066185505699225
Energy: 1.5930376218526838
Energy: 1.4066185505699225
Energy: 1.511549450059074
Energy: 1.4466616269865082
Energy: 1.312832305121646
Energy: 1.4466616269855679
Energy: 1.511549450059074
Energy: 1.4466616269865082
Energy: 1.5018745418623116
Energy: 1.5482927033540737
Energy: 1.3417664347581115
Energy: 1.5482927033540737
Energy: 1.5018745418585497
Energy: 1.5482927033540737
Energy: 1.461302245730921
Energy: 1.438449473613779
Energy: 1.7183287730597767
Energy: 1.438449473614719
Energy: 1.46130224572904
Energy: 1.438449473613779
Energy: 1.4804953683390596
Energy: 1.5440692109798617
Energy: 1.3378961406197514
Energy: 1.5440692109798617
Energy: 1.4804953685947462
Energy: 1.5440692109798617
Energy: 1.5072548276401871
Energy: 1.445243443281576
Energy: 1.3128741130454349
Energy: 1.445243443281576
Energy: 1.5072548276401871
Energy: 1.445243443281576

minimum gb energy = 1.312832305121646 eV
minimum distance =  2.23840133887975 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.2078420586335987
Energy: 1.3543209339122055
Energy: 1.2869724484557814
Energy: 1.3543209339122055
Energy: 1.2078420586338339
Energy: 1.3543209339124413
Energy: 1.2000168776738396
Energy: 1.3606998017746612
Energy: 1.3122641851831858
Energy: 1.3606998017739804
Energy: 1.2000168776738396
Energy: 1.360699801771677
Energy: 1.231980631786641
Energy: 1.5096291068898073
Energy: 1.2873479198965592
Energy: 1.5096291068856451
Energy: 1.2319806317864057
Energy: 1.5096291068893364
Energy: 1.2048500641758186
Energy: 1.3525680546536512
Energy: 1.295609185425632
Energy: 1.3525680546538865
Energy: 1.2048500641753737
Energy: 1.3525680546536512
Energy: 1.28718437393388
Energy: 1.354685648423179
Energy: 1.320154343118821
Energy: 1.354685648423179
Energy: 1.28718437393388
Energy: 1.3546856484234144
Energy: 1.2861862867322194
Energy: 1.4024946296211878
Energy: 1.3096839418236326
Energy: 1.4024946185967317
Energy: 1.2861862867322194
Energy: 1.402494611012247
Energy: 1.3073556741909438
Energy: 1.42637855974079
Energy: 1.286121141279017
Energy: 1.4263785597396383
Energy: 1.3073556741909438
Energy: 1.4263785597394028
Energy: 1.2046747200620942
Energy: 1.3484088627214597
Energy: 1.2982080586606728
Energy: 1.3484088627216952
Energy: 1.2046747200618586
Energy: 1.3484088627214597
Energy: 1.2870643945817648
Energy: 1.353927373489089
Energy: 1.272520086637441
Energy: 1.353927373489089
Energy: 1.2870643945815554
Energy: 1.353927373489089
Energy: 1.2825267809177114
Energy: 1.5917645360237413
Energy: 1.2763987058689898
Energy: 1.5917645360235055
Energy: 1.2825267809179468
Energy: 1.5917645360239507
Energy: 1.2920040526514325
Energy: 1.3538933890101785
Energy: 1.3030773666912723
Energy: 1.3538933890099694
Energy: 1.29200405265282
Energy: 1.3538933890101785
Energy: 1.3038666441455031
Energy: 1.348449302013474
Energy: 1.2047047476230388
Energy: 1.348449302013474
Energy: 1.303866644145948
Energy: 1.348449302013474

minimum gb energy = 1.2000168776738396 eV
minimum distance =  2.25921647158851 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.75177461310874
Energy: 1.6052847134826205
Energy: 1.4140862938526157
Energy: 1.6052847134826205
Energy: 1.75177461310874
Energy: 1.6052847134826205
Energy: 1.4297747506924638
Energy: 1.5014148901448239
Energy: 1.385020920494944
Energy: 1.5014148901467657
Energy: 1.4297747506924638
Energy: 1.501414890145471
Energy: 1.371068945139164
Energy: 1.5510623730054565
Energy: 1.4050193365605965
Energy: 1.5510623730048092
Energy: 1.3710689451398113
Energy: 1.5510623730041622
Energy: 1.3291575362586563
Energy: 1.4861377879969666
Energy: 1.3594599959067717
Energy: 1.4861377879969666
Energy: 1.3291575362586563
Energy: 1.4861377879963193
Energy: 1.3003897829961761
Energy: 1.5190946870486302
Energy: 1.407225516294004
Energy: 1.519094687047983
Energy: 1.3003897829961761
Energy: 1.519094687047983
Energy: 1.294834401209602
Energy: 1.488293663913768
Energy: 1.3907559339206117
Energy: 1.488293663914415
Energy: 1.294834401209602
Energy: 1.488293663913768
Energy: 1.5092595109087616
Energy: 1.5008413185378553
Energy: 1.38790674291661
Energy: 1.5008413185385026
Energy: 1.5092595109087616
Energy: 1.5008413185378553
Energy: 1.5417748627877994
Energy: 1.4867080904784244
Energy: 1.4521392719572273
Energy: 1.4867080904784244
Energy: 1.5417748627884174
Energy: 1.4867080904790715
Energy: 1.4393907460913118
Energy: 1.5463690192792219
Energy: 1.3958798027649326
Energy: 1.5463690192785744
Energy: 1.4393907460919588
Energy: 1.5463690192792219
Energy: 1.544202110618071
Energy: 1.5311758082779288
Energy: 1.3629012840914212
Energy: 1.5311758082792233
Energy: 1.544202110618071
Energy: 1.5311758082824596
Energy: 1.4395322057805071
Energy: 1.5137571040512996
Energy: 1.3994860922120675
Energy: 1.5137571040519466
Energy: 1.4395322057811546
Energy: 1.513757104052594
Energy: 1.3738525642180577
Energy: 1.5243112685717737
Energy: 1.3593662876694121
Energy: 1.5243112685717737
Energy: 1.3738525642180577
Energy: 1.5243112685717737
Energy: 1.3070335938348172
Energy: 1.436788074302542
Energy: 1.279646605389072
Energy: 1.4367880743012476
Energy: 1.3070335938348172
Energy: 1.4367880743012476
Energy: 1.5257713865375795
Energy: 1.5693816154032874
Energy: 1.4060862610361557
Energy: 1.5693816154039346
Energy: 1.525771386525311
Energy: 1.5693816154032874
Energy: 1.3736322019948164
Energy: 1.4974880722214845
Energy: 1.380348183015698
Energy: 1.497488072229869
Energy: 1.3736322019954637
Energy: 1.4974880722247208
Energy: 1.3825049796582103
Energy: 1.4649373449304195
Energy: 1.358772712823321
Energy: 1.4649373449297722
Energy: 1.3825049796582103
Energy: 1.4649373449297722
Energy: 1.51755989710321
Energy: 1.5270400875475585
Energy: 1.37858008044141
Energy: 1.5270400875469115
Energy: 1.51755989710321
Energy: 1.5270400875475585
Energy: 1.3419315223061974
Energy: 1.4384151396940725
Energy: 1.3783513798558482
Energy: 1.438415139709577
Energy: 1.3419315223036083
Energy: 1.4384151397031044
Energy: 1.5118940543600452
Energy: 1.5586673043592358
Energy: 1.298172544918501
Energy: 1.5586673043585886
Energy: 1.511894054359398
Energy: 1.5586673043585886
Energy: 1.330211680965518
Energy: 1.5194701735876688
Energy: 1.3326391177721761
Energy: 1.5194701735889633
Energy: 1.330211680964871
Energy: 1.5194701735889633
Energy: 1.2965435401018715
Energy: 1.5592529359666765
Energy: 1.5127041837931747
Energy: 1.5592529359673237
Energy: 1.2965435401025187
Energy: 1.5592529359666765
Energy: 1.376845074325175
Energy: 1.4332597639380134
Energy: 1.344916648171881
Energy: 1.4332597639321882
Energy: 1.376845074325175
Energy: 1.4332597639328355
Energy: 1.3731621842095496
Energy: 1.5105763350643437
Energy: 1.5211821852191927
Energy: 1.5105763350643437
Energy: 1.3731621842095496
Energy: 1.5105763350643437
Energy: 1.358598655628608
Energy: 1.4650070182128268
Energy: 1.387471522778724
Energy: 1.465007018213474
Energy: 1.3585986556292553
Energy: 1.465007018213474
Energy: 1.394946502772896
Energy: 1.5154756597439916
Energy: 1.3909935112649185
Energy: 1.5154756597439916
Energy: 1.394946502772896
Energy: 1.5154756597446386
Energy: 1.4179785841537231
Energy: 1.5514204815283017
Energy: 1.543216867719119
Energy: 1.5514204815276542
Energy: 1.4179785841537231
Energy: 1.5514204815283017
Energy: 1.3529793826196692
Energy: 1.436087727732494
Energy: 1.3356874105209633
Energy: 1.4360877277337882
Energy: 1.352979382630025
Energy: 1.4360877277337882
Energy: 1.3626737136508227
Energy: 1.4866692284474752
Energy: 1.3733082500117542
Energy: 1.4866692284474752
Energy: 1.36267371365147
Energy: 1.4866692284461809
Energy: 1.3964636687485552
Energy: 1.5128885254173616
Energy: 1.5276282976639277
Energy: 1.512888525418009
Energy: 1.3964636687492025
Energy: 1.512888525418009
Energy: 1.3647917042067785
Energy: 1.5263412323374415
Energy: 1.5549633881695362
Energy: 1.5263412323374415
Energy: 1.3647917042061315
Energy: 1.5263412323374415
Energy: 1.4084656628868133
Energy: 1.5463690192811632
Energy: 1.440938556632628
Energy: 1.5463690192811632
Energy: 1.4084656628874606
Energy: 1.5463690192811632
Energy: 1.454600088202252
Energy: 1.48655147194999
Energy: 1.5417551979669182
Energy: 1.48655147194999
Energy: 1.4546000882028993
Energy: 1.48655147194999
Energy: 1.3916724909583114
Energy: 1.5042870989948025
Energy: 1.513173256484067
Energy: 1.5042870989948025
Energy: 1.3916724909589586
Energy: 1.5042870989948025
Energy: 1.3819156498744702
Energy: 1.4676343048193374
Energy: 1.2868929713943118
Energy: 1.4676343048193374
Energy: 1.3819156498777065
Energy: 1.4676343048186904
Energy: 1.3765805454070377
Energy: 1.4845762467012036
Energy: 1.3001782721602373
Energy: 1.4845762467012036
Energy: 1.376580545402507
Energy: 1.484576246699909
Energy: 1.3477202659149483
Energy: 1.5180558436262968
Energy: 1.3234487147143064
Energy: 1.5180558436262968
Energy: 1.3477202658761434
Energy: 1.5180558436262968
Energy: 1.4069659955323537
Energy: 1.550927025416684
Energy: 1.3711618670527757
Energy: 1.550927025416684
Energy: 1.4069659955317064
Energy: 1.550927025416684
Energy: 1.387649491224182
Energy: 1.4610179591835006
Energy: 1.4393631338726225
Energy: 1.461017959184148
Energy: 1.387649491224182
Energy: 1.4610179591847954
Energy: 1.4384816267899332
Energy: 1.6052847134826205
Energy: 1.75177461310874
Energy: 1.6052847134826205
Energy: 1.4384816267899332
Energy: 1.6052847134826205
Energy: 1.385020920494944
Energy: 1.4691341447591515
Energy: 1.4297747506931113
Energy: 1.4691341447591515
Energy: 1.385020920494944
Energy: 1.4691341447591515
Energy: 1.405019336562538
Energy: 1.5510623730054565
Energy: 1.371068945139164
Energy: 1.5510623730048092
Energy: 1.4050193365618908
Energy: 1.551062373003515
Energy: 1.3594612026739707
Energy: 1.4861377879963193
Energy: 1.3291575362599506
Energy: 1.4861377879969666
Energy: 1.3594612038443257
Energy: 1.4861377879969666
Energy: 1.4072255162952982
Energy: 1.5190946870486302
Energy: 1.3003897829961761
Energy: 1.519094687047983
Energy: 1.4072255162952982
Energy: 1.519094687047983

minimum gb energy = 1.279646605389072 eV
minimum distance =  2.23852984659061 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 1.4789272540884775
Energy: 1.4368778837644613
Energy: 1.4064514749360073
Energy: 1.4368778837644613
Energy: 1.478927254087004
Energy: 1.4368778837644613
Energy: 1.1483148418864804
Energy: 1.4393970970930356
Energy: 1.2507948012845476
Energy: 1.4393970970930356
Energy: 1.1483148418864804
Energy: 1.4393970970930356
Energy: 1.146337005862388
Energy: 1.3994334672085986
Energy: 1.2720757654504236
Energy: 1.3994334672085986
Energy: 1.1463370058638616
Energy: 1.3994334672085986
Energy: 1.1755926497039622
Energy: 1.4026038249829684
Energy: 1.2818777793885174
Energy: 1.4026038249829684
Energy: 1.1755926497039622
Energy: 1.4026038249829684
Energy: 1.1762078281651651
Energy: 1.4376062772953053
Energy: 1.2306562413293167
Energy: 1.4376062772953053
Energy: 1.1762078281651651
Energy: 1.4376062772953053
Energy: 1.1761009209730822
Energy: 1.3993728507249994
Energy: 1.2246147127189229
Energy: 1.3993728507235261
Energy: 1.176100920971609
Energy: 1.3993728507235261
Energy: 1.2334805386127194
Energy: 1.3995458521597062
Energy: 1.2204313192116873
Energy: 1.3995458521597062
Energy: 1.2334805386112462
Energy: 1.3995458521597062
Energy: 1.176034241521126
Energy: 1.4373062263864507
Energy: 1.2841598361925046
Energy: 1.4373062263849772
Energy: 1.176034241521126
Energy: 1.4373062263849772
Energy: 1.1755803323448808
Energy: 1.3953272243284358
Energy: 1.253654562827704
Energy: 1.3953272243299093
Energy: 1.1755803323434073
Energy: 1.3953272243299093
Energy: 1.1625949655544077
Energy: 1.3995325931593245
Energy: 1.2687903793489927
Energy: 1.3995325931593245
Energy: 1.1625949655544077
Energy: 1.3995325931593245
Energy: 1.176538809775592
Energy: 1.4393970970930356
Energy: 1.2984772897921093
Energy: 1.4393970970930356
Energy: 1.1765388097166913
Energy: 1.4393970970930356
Energy: 1.478927254087004
Energy: 1.4368778837644613
Energy: 1.3130207930382283
Energy: 1.4368778837644613
Energy: 1.478927254087004
Energy: 1.4368778837644613
Energy: 1.1483148418525935
Energy: 1.4393970970930356
Energy: 1.2507948012816008
Energy: 1.4393970970930356
Energy: 1.1483148418540667
Energy: 1.4393970970930356
Energy: 1.1463370058638616
Energy: 1.3994334672085986
Energy: 1.2720757654504236
Energy: 1.3994334672085986
Energy: 1.1463370058638616
Energy: 1.3994334672085986
Energy: 1.1755926497039622
Energy: 1.4026038249829684
Energy: 1.2487781966370406
Energy: 1.4026038249829684
Energy: 1.1755926497039622
Energy: 1.4026038249829684
Energy: 1.1762078281651651
Energy: 1.4376062772953053
Energy: 1.2306562400436523
Energy: 1.4376062772953053
Energy: 1.1762078281651651
Energy: 1.4376062772953053
Energy: 1.1761009209701356
Energy: 1.3993728507235261
Energy: 1.2246147124936007
Energy: 1.3993728507235261
Energy: 1.1761009209686621
Energy: 1.3993728507249994
Energy: 1.2334805386510264
Energy: 1.3995458521597062
Energy: 1.2204313192116873
Energy: 1.399545852158233
Energy: 1.2334805386524998
Energy: 1.3995458521597062
Energy: 1.176034241521126
Energy: 1.4373062263864507
Energy: 1.257633296828563
Energy: 1.4373062263864507
Energy: 1.176034241521126
Energy: 1.4373062263864507

minimum gb energy = 1.146337005862388 eV
minimum distance =  2.22893810878463 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.2719614304288174
Energy: 1.3858135163302705
Energy: 1.2484205107408202
Energy: 1.3858135163302705
Energy: 1.2719614304288174
Energy: 1.3858135163302705
Energy: 1.4635800684759046
Energy: 1.320408798135057
Energy: 1.1174153404255605
Energy: 1.3204087981361365
Energy: 1.4635800684759046
Energy: 1.3204087981361365
Energy: 1.254181576180198
Energy: 1.2994957862486864
Energy: 1.1629857623338262
Energy: 1.2994957862476073
Energy: 1.254181576180198
Energy: 1.2994957862508452
Energy: 1.2915228402274235
Energy: 1.3112166127625002
Energy: 1.0930656674690755
Energy: 1.3112166127635798
Energy: 1.2915228402295822
Energy: 1.311216612761421
Energy: 1.0815451584511089
Energy: 1.400915897877632
Energy: 1.14380566690579
Energy: 1.4009158978787108
Energy: 1.0815451584521882
Energy: 1.400915897877632
Energy: 1.0901308724677572
Energy: 1.3622614002063906
Energy: 1.092342999939645
Energy: 1.3622614002063906
Energy: 1.0901308724677572
Energy: 1.3622614002063906
Energy: 1.086723867606062
Energy: 1.2995629916564562
Energy: 1.110737754490391
Energy: 1.2995629916553773
Energy: 1.086723867606062
Energy: 1.2995629916542977
Energy: 1.4953097536387072
Energy: 1.4137619231651053
Energy: 1.0985339452688392
Energy: 1.4137619231651053
Energy: 1.4953097536387072
Energy: 1.4137619231651053
Energy: 1.49647863893937
Energy: 1.432328778341484
Energy: 1.4221206323403945
Energy: 1.432328778342563
Energy: 1.49647863893937
Energy: 1.432328778341484
Energy: 1.0904486797868287
Energy: 1.299149933112469
Energy: 1.1215012046237882
Energy: 1.299149933112469
Energy: 1.0904486797868287
Energy: 1.299149933112469
Energy: 1.0867143509931885
Energy: 1.3992683638789327
Energy: 1.0888016349983622
Energy: 1.3992683638789327
Energy: 1.0867143509931885
Energy: 1.3992683638789327
Energy: 1.0820290689957324
Energy: 1.3906542397146817
Energy: 1.0962745387334192
Energy: 1.3906542397146817
Energy: 1.0820290689946528
Energy: 1.3906542397146817
Energy: 1.4941245554701905
Energy: 1.3020634004035057
Energy: 1.2124033572345507
Energy: 1.3020634004035057
Energy: 1.4941245554658733
Energy: 1.3020634004035057
Energy: 1.264166300963162
Energy: 1.2991745546848743
Energy: 1.1187668845294705
Energy: 1.2991745546848743
Energy: 1.264166300963162
Energy: 1.2991745546848743
Energy: 1.4668210258201888
Energy: 1.3672214150557425
Energy: 1.1260056194209003
Energy: 1.3672214150557425
Energy: 1.4668210258201888
Energy: 1.3672214150568218
Energy: 1.2605161381180232
Energy: 1.3923177001723062
Energy: 1.2611381717370624
Energy: 1.3923177001733853
Energy: 1.2605161381180232
Energy: 1.3923177001733853
Energy: 1.4614513402100966
Energy: 1.3209683466930389
Energy: 1.1095958359994469
Energy: 1.3209683466930389
Energy: 1.4614513402068585
Energy: 1.3209683466930389
Energy: 1.2692391335799196
Energy: 1.2992278748173616
Energy: 1.1448848840300212
Energy: 1.2992278748173616
Energy: 1.2692391335799196
Energy: 1.2992278748173616
Energy: 1.2651671137447196
Energy: 1.2948632928767883
Energy: 1.08841263940723
Energy: 1.2948632928778674
Energy: 1.2651671137447196
Energy: 1.2948632928789465
Energy: 1.0806528611939785
Energy: 1.4023586766413652
Energy: 1.1025089923363784
Energy: 1.4023586766413652
Energy: 1.080652861192899
Energy: 1.4023586766413652
Energy: 1.164299369621964
Energy: 1.3599204732199603
Energy: 1.083272127537812
Energy: 1.3599204732210395
Energy: 1.16429936962736
Energy: 1.3599204732210395
Energy: 1.093079226069594
Energy: 1.370941840239622
Energy: 1.0834777440402164
Energy: 1.370941840239622
Energy: 1.093079226069594
Energy: 1.370941840239622
Energy: 1.4537469315760172
Energy: 1.3861834051057358
Energy: 1.1516351212640328
Energy: 1.3861834051057358
Energy: 1.4537469315760172
Energy: 1.3861834051057358
Energy: 1.075689932259442
Energy: 1.4153743081467256
Energy: 1.4608899663875574
Energy: 1.4153743081467256
Energy: 1.075689932259442
Energy: 1.4153743081467256
Energy: 1.0980939540935062
Energy: 1.299771925199956
Energy: 1.0847279125762541
Energy: 1.2997719251988764
Energy: 1.0980939540935062
Energy: 1.299771925199956
Energy: 1.092214844176154
Energy: 1.3993524653292786
Energy: 1.0833726287613226
Energy: 1.3993524653292786
Energy: 1.092214844176154
Energy: 1.3993524653292786

minimum gb energy = 1.075689932259442 eV
minimum distance =  2.25478609353979 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.7010850682758565
Energy: 1.3208361485108615
Energy: 1.1310468882690539
Energy: 1.3208361485108615
Energy: 1.7010850682758565
Energy: 1.3208361485108615
Energy: 1.7478408825559129
Energy: 1.2116255435091052
Energy: 1.0226354558552817
Energy: 1.2116255435099557
Energy: 1.7478408825559129
Energy: 1.2116255435091052
Energy: 1.1115259527798986
Energy: 1.2653348445983659
Energy: 1.081550356713938
Energy: 1.2653348445983659
Energy: 1.1115259527798986
Energy: 1.2653348445983659
Energy: 1.5072610749306685
Energy: 1.190295242082978
Energy: 0.9892095375702362
Energy: 1.190295242082978
Energy: 1.5072610749306685
Energy: 1.190295242082978
Energy: 1.112549779979865
Energy: 1.1767042759340434
Energy: 1.077223878713523
Energy: 1.1767042759331925
Energy: 1.112549779979865
Energy: 1.1767042759340434
Energy: 1.3253498011652847
Energy: 1.2528625120969223
Energy: 0.9825119160343555
Energy: 1.2528625120960717
Energy: 1.3253498011652847
Energy: 1.2528625120960717
Energy: 0.985713758183561
Energy: 1.2869167097719765
Energy: 0.9890644177806442
Energy: 1.2869167097719765
Energy: 0.985713758183561
Energy: 1.2869167097719765
Energy: 1.3046158282463385
Energy: 1.3153963537633067
Energy: 1.0330640683326147
Energy: 1.3153963537633067
Energy: 1.3046158282463385
Energy: 1.3153963537633067
Energy: 1.0105883675844352
Energy: 1.1767294973732243
Energy: 1.147795603967963
Energy: 1.176729497377439
Energy: 1.0105883675844352
Energy: 1.176729497371523
Energy: 1.3383983798296426
Energy: 1.2923766755486754
Energy: 1.4256998724687036
Energy: 1.2923766755478248
Energy: 1.3383983798296426
Energy: 1.2923766755478248
Energy: 1.3388378958565164
Energy: 1.28674955496593
Energy: 1.388893842633988
Energy: 1.28674955496593
Energy: 1.3388378958565164
Energy: 1.28674955496593
Energy: 1.0195711740471347
Energy: 1.3177117059890502
Energy: 0.9923699350757289
Energy: 1.3177117059881998
Energy: 1.0195711740462843
Energy: 1.3177117059890502
Energy: 1.0151194455988901
Energy: 1.2841226839546447
Energy: 1.1845361550725095
Energy: 1.2841226839546447
Energy: 1.0151194455988901
Energy: 1.2841226839546447
Energy: 0.990815728171636
Energy: 1.2903772755648089
Energy: 1.0197492255131302
Energy: 1.2903772755648089
Energy: 0.990815728171636
Energy: 1.2903772755656593
Energy: 1.3307975146167297
Energy: 1.2653333470514474
Energy: 0.9850180086996259
Energy: 1.2653333470514474
Energy: 1.3307975146167297
Energy: 1.2653333470514474
Energy: 1.034373036417236
Energy: 1.3328677047246233
Energy: 0.9867621638086866
Energy: 1.332867704723773
Energy: 1.034373036426593
Energy: 1.332867704723773
Energy: 1.3097420473486288
Energy: 1.2894102612780316
Energy: 1.0316067387925725
Energy: 1.2894102612780316
Energy: 1.309742047346928
Energy: 1.2894102612780316
Energy: 1.0782252479388972
Energy: 1.2743094548505112
Energy: 1.039831042229995
Energy: 1.2743094548505112
Energy: 1.078225247937196
Energy: 1.2743094548505112
Energy: 1.749937137109731
Energy: 1.2163326368558365
Energy: 0.9969560278616015
Energy: 1.2163326368566871
Energy: 1.7499371371114323
Energy: 1.2163326368558365
Energy: 1.502894613114908
Energy: 1.3090948729131786
Energy: 1.1509166573152414
Energy: 1.3090948729131786
Energy: 1.502894613114908
Energy: 1.3090948729131786
Energy: 1.747374619052229
Energy: 1.2097761416199855
Energy: 1.0422698727398374
Energy: 1.2097761416199855
Energy: 1.747374619052229
Energy: 1.2097761416199855
Energy: 1.064388846700667
Energy: 1.2736179813137123
Energy: 1.074119668486557
Energy: 1.2736179813128619
Energy: 1.0643888466998164
Energy: 1.2736179813128619
Energy: 1.3435182848787945
Energy: 1.193526068876229
Energy: 0.9862780310881117
Energy: 1.193526068876229
Energy: 1.3435182848796454
Energy: 1.193526068876229
Energy: 1.025155435145103
Energy: 1.2184397846571509
Energy: 1.0345989653700285
Energy: 1.2184397846580015
Energy: 1.025155435157012
Energy: 1.2184397846571509
Energy: 1.166646100071684
Energy: 1.250351483517923
Energy: 1.037312909419717
Energy: 1.250351483517923
Energy: 1.1666461000725348
Energy: 1.250351483517923
Energy: 0.9910208556514201
Energy: 1.2318995016256846
Energy: 0.9885931535226441
Energy: 1.2318995016256846
Energy: 0.9910208556514201
Energy: 1.2318995016256846
Energy: 1.0828791567394807
Energy: 1.2709472687381793
Energy: 1.0340050125207805
Energy: 1.2709472687381793
Energy: 1.0828791566723188
Energy: 1.2709472687373287
Energy: 1.0182578376429037
Energy: 1.226196487401572
Energy: 1.341413985262468
Energy: 1.226196487401572
Energy: 1.0182578376429037
Energy: 1.226196487401572
Energy: 1.30808540746031
Energy: 1.2767637714775768
Energy: 1.316932559326416
Energy: 1.2767637714775768
Energy: 1.3080854074611608
Energy: 1.2767637714775768
Energy: 0.9908157485116044
Energy: 1.2637102990786775
Energy: 1.2994345368420834
Energy: 1.263710299076976
Energy: 0.9908157485107535
Energy: 1.2637102990761253
Energy: 1.021822725312927
Energy: 1.2708401174126691
Energy: 1.0328383303780453
Energy: 1.2708401174126691
Energy: 1.021822725312927
Energy: 1.2708401174126691
Energy: 1.0159335776773146
Energy: 1.2936849698431694
Energy: 1.296226552007852
Energy: 1.2936849698431694
Energy: 1.0159335776773146
Energy: 1.2936849698431694
Energy: 0.9854469100548819
Energy: 1.2742070369414575
Energy: 1.0494013670019897
Energy: 1.2742070369423086
Energy: 0.9854469100548819
Energy: 1.2742070369414575

minimum gb energy = 0.9825119160343555 eV
minimum distance =  2.24960771113597 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.375695379325772
Energy: 1.172341235483597
Energy: 1.0090033832318885
Energy: 1.1723412354877756
Energy: 1.375695379325772
Energy: 1.172341235485388
Energy: 1.878296447022393
Energy: 1.0566785156142426
Energy: 0.8979043052921848
Energy: 1.0566785156136456
Energy: 1.8782964470206023
Energy: 1.0566785156142426
Energy: 1.3624704481497574
Energy: 1.143431608234319
Energy: 0.9647044893652899
Energy: 1.143431608232528
Energy: 1.3624704481491603
Energy: 1.1434316082331253
Energy: 1.7505821301884925
Energy: 1.0262823151542169
Energy: 0.8795919377749833
Energy: 1.0262823151542169
Energy: 1.7505821301884925
Energy: 1.0262823151524259
Energy: 0.9593994144290208
Energy: 1.132352968527619
Energy: 0.9493792905391951
Energy: 1.132352968527619
Energy: 0.9593994144290208
Energy: 1.132352968527619
Energy: 1.5484749911914741
Energy: 1.0886199623821706
Energy: 0.8953008897597731
Energy: 1.0886199623827673
Energy: 1.5484749911914741
Energy: 1.0886199623815735
Energy: 0.9502217673864761
Energy: 1.0984153264826948
Energy: 0.8783614769164523
Energy: 1.0984153264826948
Energy: 0.950221767385879
Energy: 1.0984153264820982
Energy: 1.24858071933651
Energy: 1.1128979201045333
Energy: 0.8902739860843898
Energy: 1.112897920113488
Energy: 1.24858071933651
Energy: 1.1128979201045333
Energy: 0.8726851753115586
Energy: 1.1334718120972636
Energy: 1.008540251484899
Energy: 1.1334718120972636
Energy: 0.8726851753115586
Energy: 1.1334718120972636
Energy: 1.113077338208508
Energy: 1.121761107766862
Energy: 1.2156473010490054
Energy: 1.1217611077680563
Energy: 1.1130773382091048
Energy: 1.1217611077680563
Energy: 0.8727738258888013
Energy: 1.1050378983762734
Energy: 1.242684339228353
Energy: 1.1050378983762734
Energy: 0.8727738258888013
Energy: 1.1050378983762734
Energy: 1.4056070820850828
Energy: 1.13624179624082
Energy: 1.193693341039962
Energy: 1.136241796239626
Energy: 1.4056070820850828
Energy: 1.136241796239029
Energy: 1.104464668147886
Energy: 1.1328111437661312
Energy: 1.3025417241565398
Energy: 1.1328111437661312
Energy: 1.104464668147886
Energy: 1.1328111437661312
Energy: 1.0968519447040577
Energy: 1.1458817319868166
Energy: 1.5106993002642572
Energy: 1.1458817319844286
Energy: 1.0968519447034604
Energy: 1.1458817319850256
Energy: 1.116771961771018
Energy: 1.105352134531811
Energy: 1.4066810367234257
Energy: 1.105352134533602
Energy: 1.1167719617704208
Energy: 1.105352134533602
Energy: 1.1085836584913216
Energy: 1.130358868097547
Energy: 1.1529682009644713
Energy: 1.13035886809695
Energy: 1.1085836584913216
Energy: 1.130358868096353
Energy: 1.1084237861304003
Energy: 1.1293568115059687
Energy: 1.2796763430896998
Energy: 1.1293568115065655
Energy: 1.1084237861304003
Energy: 1.1293568115059687
Energy: 0.8778610432141746
Energy: 1.1427886832682672
Energy: 1.1015131560399203
Energy: 1.1427886832682672
Energy: 0.8778610432141746
Energy: 1.1427886832676704
Energy: 1.1178124889785497
Energy: 1.1302689251318612
Energy: 1.154369219065961
Energy: 1.1302689251318612
Energy: 1.1178124889779526
Energy: 1.1302689251318612
Energy: 0.8772704465340269
Energy: 1.1359287410028993
Energy: 0.899903277855236
Energy: 1.1359287410106604
Energy: 0.8772704465346238
Energy: 1.1359287410052874
Energy: 1.106838798246289
Energy: 1.1167429598176517
Energy: 0.9901807525243173
Energy: 1.1167429598176517
Energy: 1.106838798246289
Energy: 1.1167429598182488
Energy: 0.9163342677779925
Energy: 1.1437314494341893
Energy: 0.895326468371635
Energy: 1.1437314494341893
Energy: 0.9163342677785895
Energy: 1.1437314494347863
Energy: 1.4139400202148302
Energy: 1.1195552041057084
Energy: 0.8771037355672192
Energy: 1.1195552041051113
Energy: 1.4139400202136363
Energy: 1.1195552041057084
Energy: 0.9579264099296625
Energy: 1.1358015385259446
Energy: 0.8846195754658397
Energy: 1.1358015385259446
Energy: 0.9579264099284686
Energy: 1.1358015385259446
Energy: 1.5421889931225012
Energy: 1.1340089142038097
Energy: 0.9854554038566331
Energy: 1.1340089142038097
Energy: 1.5421889931219044
Energy: 1.1340089142038097
Energy: 1.2296989172264792
Energy: 1.1314175557039718
Energy: 0.8999079658998698
Energy: 1.1314175557033748
Energy: 1.2296989172264792
Energy: 1.1314175557033748
Energy: 1.8807018856016156
Energy: 1.0841552947284832
Energy: 0.8748113934537887
Energy: 1.0841552947284832
Energy: 1.8807018856022122
Energy: 1.0841552947284832
Energy: 1.2488861013955963
Energy: 1.139032281108909
Energy: 1.1039416429918947
Energy: 1.1390322811095062
Energy: 1.2488861014671802
Energy: 1.1390322811095062
Energy: 1.576223928713997
Energy: 1.100701749927295
Energy: 0.9954060586042157
Energy: 1.100701749928489
Energy: 1.576223928713997
Energy: 1.1007017499266982
Energy: 1.2278814290410769
Energy: 1.1491565888791153
Energy: 1.099809316292388
Energy: 1.1491565888797124
Energy: 1.2278814290404798
Energy: 1.1491565888797124
Energy: 1.573259205998375
Energy: 1.0364014905511467
Energy: 0.8779610870336402
Energy: 1.0364014905511467
Energy: 1.573259205998375
Energy: 1.0364014905511467
Energy: 0.9091240263896712
Energy: 1.11461058936037
Energy: 1.001229912349619
Energy: 1.114610589361564
Energy: 0.909124026397432
Energy: 1.114610589361564
Energy: 1.2540723629746307
Energy: 1.0960842305837304
Energy: 0.8768563859557147
Energy: 1.0960842305837304
Energy: 1.2540723629758246
Energy: 1.0960842305843275
Energy: 0.9064164871179182
Energy: 1.0983642524174848
Energy: 1.2767349415342144
Energy: 1.0983642524174848
Energy: 0.9064164871185153
Energy: 1.0983642524174848
Energy: 1.2759764287051711
Energy: 1.0982083477228548
Energy: 0.906793080594226
Energy: 1.0982083477222577
Energy: 1.2759764287057678
Energy: 1.0982083477228548
Energy: 0.8767894149201508
Energy: 1.0962602350567328
Energy: 1.2577311697727478
Energy: 1.0962602350573294
Energy: 0.8767894149201508
Energy: 1.0962602350573294
Energy: 0.9973738034558203
Energy: 1.114603103988783
Energy: 0.9132908326287654
Energy: 1.11460310398938
Energy: 0.9973738034558203
Energy: 1.11460310398938
Energy: 0.878086841836896
Energy: 1.0377808882139454
Energy: 1.5839397436763512
Energy: 1.0377808882151394
Energy: 0.878086841836299
Energy: 1.0377808882151394
Energy: 1.099809316292985
Energy: 1.1324948988755308
Energy: 1.2256421599812968
Energy: 1.1324948988743369
Energy: 1.099809316292985
Energy: 1.132494898874934
Energy: 1.1070775344244914
Energy: 1.1163800752508868
Energy: 1.565761843714815
Energy: 1.1163800752508868
Energy: 1.1070775344238943
Energy: 1.1163800752508868
Energy: 1.120881562896471
Energy: 1.1385623195837298
Energy: 1.2563305826494868
Energy: 1.138562319583133
Energy: 1.1208815628970679
Energy: 1.138562319583133
Energy: 0.876200239666692
Energy: 1.0751706803693666
Energy: 1.8781069183842818
Energy: 1.0751706803693666
Energy: 0.876200239666692
Energy: 1.0751706803675756
Energy: 0.9003321325409422
Energy: 1.1304360968312042
Energy: 1.2425909534033337
Energy: 1.1304360968312042
Energy: 0.9003321325415392
Energy: 1.1304360968318012
Energy: 1.1058648111321288
Energy: 1.133967062439854
Energy: 1.5540256912797106
Energy: 1.1339670624428388
Energy: 1.1058648111363076
Energy: 1.1339670624428388
Energy: 0.8770628880482498
Energy: 1.1356860638246629
Energy: 0.9165258035164541
Energy: 1.135686063825857
Energy: 0.8770628880500408
Energy: 1.13568606382526
Energy: 0.8771337318958072
Energy: 1.1195552041080963
Energy: 1.432735324840529
Energy: 1.1195552041080963
Energy: 0.8771337318952103
Energy: 1.1195552041086934
Energy: 0.9039221017147158
Energy: 1.143735696884712
Energy: 0.9088044314926096
Energy: 1.1437356968859063
Energy: 0.9039221017141188
Energy: 1.1437356968841152

minimum gb energy = 0.8726851753115586 eV
minimum distance =  2.28359368099642 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.25743634242168095
Energy: 0.25781932698343457
Energy: 0.3491699868705932
Energy: 0.25781932698302656
Energy: 0.25743634242168095
Energy: 0.25781932698302656
Energy: 0.26838787280030496
Energy: 0.8083823556556826
Energy: 0.6369446868928187
Energy: 0.8083823556553199
Energy: 0.26838787280030496
Energy: 0.8083823556556826
Energy: 0.25743634242168095
Energy: 0.25781932698302656
Energy: 0.3491699868705932
Energy: 0.25781932698261845
Energy: 0.25743634242168095
Energy: 0.25781932698261845
Energy: 0.26838787279989695
Energy: 0.8083823556556826
Energy: 0.6369438969013396
Energy: 0.8083823556553199
Energy: 0.26838787279989695
Energy: 0.8083823556553199
Energy: 0.25743634242127295
Energy: 0.25781932698302656
Energy: 0.34916998687023043
Energy: 0.25781932698302656
Energy: 0.25743634242168095
Energy: 0.25781932698261845
Energy: 0.26838787280030496
Energy: 0.8083823556556826
Energy: 0.6369441610436611
Energy: 0.8083823556556826
Energy: 0.26838787280030496
Energy: 0.8083823556553199
Energy: 0.25743634242168095
Energy: 0.25781932698302656
Energy: 0.34916998687023043
Energy: 0.25781932698261845
Energy: 0.257436342422089
Energy: 0.25781932698261845

minimum gb energy = 0.25743634242127295 eV
minimum distance =  2.43380178305235 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.5280313943083317
Energy: 1.1703766538501403
Energy: 1.09435841918591
Energy: 1.1703766538501403
Energy: 1.5280313943067028
Energy: 1.1703766538506832
Energy: 1.8866936592627839
Energy: 0.8625464369969149
Energy: 0.8598753657573737
Energy: 0.8625464370050591
Energy: 1.8866936592627839
Energy: 0.8625464370001725
Energy: 1.3735502889135476
Energy: 1.151416192662657
Energy: 1.0966427366164295
Energy: 1.151416192662657
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Energy: 1.0675642394820823
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Energy: 1.1403790456041676
Energy: 0.9091504789515067
Energy: 1.1403790452845186
Energy: 0.8587851774408957
Energy: 1.0712143356015726
Energy: 1.3904427160967883
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Energy: 1.0195068441883497
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Energy: 0.8493222830036041
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Energy: 0.8584274387514921
Energy: 1.1535146156735887
Energy: 1.401432352764587
Energy: 1.153514615672503
Energy: 0.8584274387509491
Energy: 1.1535146156692453
Energy: 0.861782140479695
Energy: 0.9180724289457344
Energy: 1.5212007351340302
Energy: 0.9180724289468204
Energy: 0.861782140479695
Energy: 0.9180724289370966
Energy: 0.9197070724697909
Energy: 1.1381194835873987
Energy: 1.4488977159030607
Energy: 1.1381194835884847
Energy: 0.919707072469248
Energy: 1.1381194835873987
Energy: 0.8556890202651174
Energy: 0.9100884545347394
Energy: 1.5839840659412596
Energy: 0.9100884545341964
Energy: 0.8556890202645745
Energy: 0.9100884545347394
Energy: 0.9113393022851201
Energy: 1.12811831579389
Energy: 1.1849586094486182
Energy: 1.1281183157911752
Energy: 0.9113393022845772
Energy: 1.1281183157960124
Energy: 0.944293145859198
Energy: 1.0708090814813758
Energy: 1.3153518932905452
Energy: 1.0708090814786608
Energy: 0.944293145859198
Energy: 1.0708090814802897
Energy: 1.1576386342843692
Energy: 1.1296389803192703
Energy: 1.1616544377753655
Energy: 1.129638980355105
Energy: 1.1576386333481758
Energy: 1.1296389803176416

minimum gb energy = 0.8461045481279006 eV
minimum distance =  2.28361597905059 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.4928077094977237
Energy: 1.3085304728334592
Energy: 1.1222084122519174
Energy: 1.308530472832714
Energy: 1.4928077094977237
Energy: 1.3085304728334592
Energy: 1.6540846557726785
Energy: 0.9762589805368835
Energy: 0.9890334882739944
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Energy: 1.4773780818696567
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Energy: 1.02022025801784
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Energy: 1.2842890913154303
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Energy: 0.952045150318271
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Energy: 0.952002300279347
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Energy: 1.3027115476583595
Energy: 1.2813029248500174
Energy: 1.2784944710106845
Energy: 1.2709125697338568
Energy: 0.944737358202519
Energy: 1.2709125697346018
Energy: 1.2784944710106845
Energy: 1.2709125697346018
Energy: 1.2798147648967515
Energy: 1.264405932255171
Energy: 0.9708630509133777
Energy: 1.264405932255171
Energy: 1.2798147648974971
Energy: 1.264405932255171
Energy: 0.941355503450862
Energy: 1.2136911859634212
Energy: 1.256943872653744
Energy: 1.2136911859641666
Energy: 0.941355503450862
Energy: 1.2136911859656567
Energy: 0.9432416190801727
Energy: 1.2772850849759754
Energy: 1.0200702170795608
Energy: 1.2772850849543989
Energy: 0.9432416190801727
Energy: 1.2772850849417303
Energy: 0.9441466198533592
Energy: 1.2703507737234865
Energy: 1.251409324673957
Energy: 1.2703507737242319
Energy: 0.9441466198541045
Energy: 1.2703507737234865
Energy: 0.9445757237812943
Energy: 1.2712440619220449
Energy: 1.3004646311907297
Energy: 1.2712440619227905
Energy: 0.9445757237827846
Energy: 1.2712440619213
Energy: 0.9393836665360638
Energy: 1.2882494855127282
Energy: 1.455212848597368
Energy: 1.2882494855127282
Energy: 0.9393836665368089
Energy: 1.2882494855127282
Energy: 0.9544239678082163
Energy: 1.2954063955692054
Energy: 1.3482068786372896
Energy: 1.2954063955692054
Energy: 0.9544239678082163
Energy: 1.2954063955692054
Energy: 0.9441206516257236
Energy: 1.0776039405116111
Energy: 1.5176179470125168
Energy: 1.0776039404520295
Energy: 0.9441206516257236
Energy: 1.0776039405652311
Energy: 0.9862163692741428
Energy: 1.267922405733682
Energy: 1.292237293912953
Energy: 1.267922405729956
Energy: 0.9862163692741428
Energy: 1.2679224057314464
Energy: 0.939762597521294
Energy: 1.0742805433860858
Energy: 1.485269603062346
Energy: 1.0742805433927927
Energy: 0.9397625975205488
Energy: 1.0742805433793792
Energy: 0.9505609773154409
Energy: 1.214752655219999
Energy: 1.0061453650789938
Energy: 1.214752655215528
Energy: 0.9505609773146957
Energy: 1.2147526552222347
Energy: 0.9649085704216186
Energy: 1.2255417987758102
Energy: 1.103636213263653
Energy: 1.2255417987765556
Energy: 0.9649085704216186
Energy: 1.2255417987758102

minimum gb energy = 0.9393836665360638 eV
minimum distance =  2.19961585547204 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.5925473926831308
Energy: 1.4381316384328389
Energy: 1.1866140105174252
Energy: 1.4381316384328389
Energy: 1.5925473926831308
Energy: 1.4381316384328389
Energy: 1.406792619516673
Energy: 1.0571700576598213
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Energy: 1.1833958576447212
Energy: 1.0170690750035312
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Energy: 1.4102080323453865
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Energy: 1.4394396218069516
Energy: 1.3690381454435885
Energy: 1.235883118905899
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Energy: 1.4394396218069516
Energy: 1.3690381454435885
Energy: 1.5501669373341642
Energy: 1.365944636800548
Energy: 1.0058837680789725
Energy: 1.365944636800548
Energy: 1.5501669373341642
Energy: 1.365944636800548
Energy: 1.5403754037453308
Energy: 1.3687964777499313
Energy: 1.0101301522573163
Energy: 1.3687964777499313
Energy: 1.5403754037453308
Energy: 1.3687964777499313
Energy: 1.444679676826704
Energy: 1.3698260424562936
Energy: 1.015881672481344
Energy: 1.3698260424562936
Energy: 1.444679676826704
Energy: 1.3698260424553783
Energy: 1.425965101095617
Energy: 1.4180414831669506
Energy: 1.0190442646182605
Energy: 1.4180414831669506
Energy: 1.425965101095617
Energy: 1.418041483167866
Energy: 1.0044068520860483
Energy: 1.3692934420540772
Energy: 1.0045076444584509
Energy: 1.3692934420540772
Energy: 1.0044068520860483
Energy: 1.3692934420540772
Energy: 1.0047832589248888
Energy: 1.3780041275700277
Energy: 1.0342321736980502
Energy: 1.3780041275700277
Energy: 1.0047832589258041
Energy: 1.3780041275700277
Energy: 1.0050065529887127
Energy: 1.3714204657443398
Energy: 1.0028099574583944
Energy: 1.3714204657443398
Energy: 1.0050065529887127
Energy: 1.3714204657434244
Energy: 1.0064174111291544
Energy: 1.4173008132087
Energy: 1.1092680355505926
Energy: 1.4173008132077847
Energy: 1.0064174111291544
Energy: 1.4173008132087
Energy: 1.0053605879291316
Energy: 1.372541667123421
Energy: 1.4259332704839995
Energy: 1.372541667123421
Energy: 1.0053605879291316
Energy: 1.3725416671243362
Energy: 1.0162737398001722
Energy: 1.3833994810181047
Energy: 1.4746497915115802
Energy: 1.3833994810171892
Energy: 1.0162737398001722
Energy: 1.3833994810181047
Energy: 1.0052794528059044
Energy: 1.3612207424991976
Energy: 1.2958959335440878
Energy: 1.3612207424991976
Energy: 1.0052794528059044
Energy: 1.3612207424991976
Energy: 1.075456696415821
Energy: 1.323919638560972
Energy: 1.1135192124524396
Energy: 1.323919638560972
Energy: 1.075456696415821
Energy: 1.323919638560972
Energy: 1.004989496789227
Energy: 1.1715452475778285
Energy: 1.2106514192540068
Energy: 1.1715452477480182
Energy: 1.004989496788312
Energy: 1.1715452475943045
Energy: 1.0062434474760067
Energy: 1.331990835552961
Energy: 1.0291587717447517
Energy: 1.331990835552961
Energy: 1.006243447474176
Energy: 1.331990835552961

minimum gb energy = 1.0028099574583944 eV
minimum distance =  2.23399112693013 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.2218381044839461
Energy: 1.523218013214454
Energy: 1.3095103660565752
Energy: 1.523218013214454
Energy: 1.2218381044839461
Energy: 1.523218013214454
Energy: 1.3707377304196444
Energy: 1.1616111356474268
Energy: 1.1647025144891612
Energy: 1.1616111356462415
Energy: 1.3707377304196444
Energy: 1.1616111356486116
Energy: 1.1068967900623248
Energy: 1.5017671486163586
Energy: 1.2895859638798222
Energy: 1.5017671486163586
Energy: 1.1068967900623248
Energy: 1.5017671486163586
Energy: 1.0853400348609896
Energy: 1.0891026205192462
Energy: 1.1677108792398565
Energy: 1.0891026205192462
Energy: 1.0853400348621745
Energy: 1.0891026205192462
Energy: 1.1036029816776782
Energy: 1.1142386951703014
Energy: 1.0880842349318383
Energy: 1.1142386951703014
Energy: 1.1036029816776782
Energy: 1.1142386951703014
Energy: 1.0884891559434935
Energy: 1.484257873612302
Energy: 1.159096388089044
Energy: 1.484257873612302
Energy: 1.0884891559434935
Energy: 1.484257873612302
Energy: 1.0879646038036708
Energy: 1.3004137032702812
Energy: 1.3733248256214103
Energy: 1.3004137032702812
Energy: 1.0879646038036708
Energy: 1.3004137032714664
Energy: 1.1032350373976036
Energy: 1.4938417514269853
Energy: 1.2258815495915516
Energy: 1.4938417514281703
Energy: 1.103235037398789
Energy: 1.4938417514281703
Energy: 1.1662077311555799
Energy: 1.1628054880728949
Energy: 1.086389398655172
Energy: 1.1628054880728949
Energy: 1.1662077311555799
Energy: 1.1628054880728949
Energy: 1.0856073108941373
Energy: 1.479474499521135
Energy: 1.1593617599847659
Energy: 1.4794744995223204
Energy: 1.0856073108941373
Energy: 1.4794744995223204
Energy: 1.0880048283436008
Energy: 1.0855201371501555
Energy: 1.0884864478003347
Energy: 1.0855201371513408
Energy: 1.0880048283436008
Energy: 1.0855201371501555
Energy: 1.1355910011130623
Energy: 1.3089877168420543
Energy: 1.165376531464869
Energy: 1.308987716846795
Energy: 1.1355910011130623
Energy: 1.3089877168408688
Energy: 1.1740024478164448
Energy: 1.5147161968321816
Energy: 1.120040732577894
Energy: 1.5147161968321816
Energy: 1.1740024478164448
Energy: 1.5147161968321816
Energy: 1.3804797044263233
Energy: 1.468226884795884
Energy: 1.0880251842308957
Energy: 1.468226884795884
Energy: 1.3804797044263233
Energy: 1.468226884795884
Energy: 1.6423995039826154
Energy: 1.4947325904005708
Energy: 1.0923241830637733
Energy: 1.4947325904005708
Energy: 1.6423995039838004
Energy: 1.4947325904005708
Energy: 1.0814921718529495
Energy: 1.5147644363803747
Energy: 1.1265315365552955
Energy: 1.5147644363803747
Energy: 1.0814921718529495
Energy: 1.5147644363791892
Energy: 1.140703363971442
Energy: 1.3222929221608961
Energy: 1.0858177591655083
Energy: 1.3222929222213122
Energy: 1.140703363971442
Energy: 1.3222929222319788
Energy: 1.0801357875547537
Energy: 1.5487281769428598
Energy: 1.080155856024576
Energy: 1.548728176944045
Energy: 1.0801357875547537
Energy: 1.5487281769428598
Energy: 1.0857242073449915
Energy: 1.503413173952674
Energy: 1.1321252849901926
Energy: 1.503413173952674
Energy: 1.0857242073449915
Energy: 1.503413173952674
Energy: 1.1108256273674049
Energy: 1.5075886408094432
Energy: 1.0872347705904484
Energy: 1.5075886408082582
Energy: 1.1108256273662198
Energy: 1.5075886408094432
Energy: 1.0966184025426615
Energy: 1.491095031776139
Energy: 1.6420447907074855
Energy: 1.4910950317749536
Energy: 1.0966184025426615
Energy: 1.491095031776139
Energy: 1.0874670520770537
Energy: 1.485606385560904
Energy: 1.4101947016982705
Energy: 1.485606385560904
Energy: 1.0874670520782392
Energy: 1.4856063855620891
Energy: 1.1771185583276587
Energy: 1.5016480427349468
Energy: 1.137838756177005
Energy: 1.5016480427349468
Energy: 1.1771185583276587
Energy: 1.5016480427349468
Energy: 1.1652270725237357
Energy: 1.3054157755457356
Energy: 1.0823207226014568
Energy: 1.305415775671309
Energy: 1.1652270725237357
Energy: 1.305415775023295

minimum gb energy = 1.0801357875547537 eV
minimum distance =  2.2484468886608 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.6048006182969579
Energy: 1.44826976083279
Energy: 1.4022838422158834
Energy: 1.4482697604608543
Energy: 1.604800618298634
Energy: 1.4482697607942785
Energy: 1.4566346264712262
Energy: 1.1829471140563268
Energy: 1.1892514244244587
Energy: 1.1829471140563268
Energy: 1.4566346264712262
Energy: 1.1829471140563268
Energy: 1.4839886172171226
Energy: 1.3712291966550747
Energy: 1.6805740134740998
Energy: 1.3712291966567507
Energy: 1.4839886172171226
Energy: 1.3712291966550747
Energy: 1.1936150697345442
Energy: 1.3494573459847001
Energy: 1.4462046738417706
Energy: 1.349457345983024
Energy: 1.1936150697345442
Energy: 1.349457345983024
Energy: 1.1847634409028613
Energy: 1.1729469781865582
Energy: 1.1948709257417371
Energy: 1.1729469781865582
Energy: 1.1847634409011851
Energy: 1.1729469781865582
Energy: 1.2017896569553739
Energy: 1.2090215083800757
Energy: 1.2673158494326184
Energy: 1.209021508376762
Energy: 1.2017896569536979
Energy: 1.2090215083783997
Energy: 1.1946163455071774
Energy: 1.3714753663023471
Energy: 1.4586442795912729
Energy: 1.3714753662889385
Energy: 1.1946163455071774
Energy: 1.3714753662939667
Energy: 1.439734604280779
Energy: 1.5881143046342678
Energy: 1.446046855500858
Energy: 1.5881143046342678
Energy: 1.439734604280779
Energy: 1.5881143046342678
Energy: 1.4300088062881304
Energy: 1.4383990318662838
Energy: 1.2087376237163694
Energy: 1.4383990318662838
Energy: 1.4300088062881304
Energy: 1.4383990318662838
Energy: 1.5223871092612309
Energy: 1.1850231184545723
Energy: 1.188036854396213
Energy: 1.1850231184545723
Energy: 1.5223871092612309
Energy: 1.1850231184545723
Energy: 1.5857695243593333
Energy: 1.6136705919777004
Energy: 1.1845005761552088
Energy: 1.6136705919777004
Energy: 1.5857695243593333
Energy: 1.6136705919777004
Energy: 1.4405253876994681
Energy: 1.4221356958984421
Energy: 1.1917453837347416
Energy: 1.4221356959051463
Energy: 1.4405253876994681
Energy: 1.4221356959017943
Energy: 1.4391918073667778
Energy: 1.6606776671139956
Energy: 1.4276347979552877
Energy: 1.6606776671156716
Energy: 1.4391918073667778
Energy: 1.6606776671139956
Energy: 1.1984210789535632
Energy: 1.3923131649207632
Energy: 1.42792974512661
Energy: 1.392313164914059
Energy: 1.1984210789535632
Energy: 1.3923131649207632
Energy: 1.188553131434974
Energy: 1.5548359612758638
Energy: 1.2428948687452048
Energy: 1.5548359612758638
Energy: 1.188553131434974
Energy: 1.5548359612758638
Energy: 1.1926109577260648
Energy: 1.6837560165862857
Energy: 1.1941358442236851
Energy: 1.6837560165862857
Energy: 1.1926109577260648
Energy: 1.6837560165862857
Energy: 1.1923598360182865
Energy: 1.5051410070427622
Energy: 1.4274467148340457
Energy: 1.5051410070427622
Energy: 1.1923598360182865
Energy: 1.5051410070427622

minimum gb energy = 1.1729469781865582 eV
minimum distance =  2.26845593493822 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.766701415248497
Energy: 1.7091713657536236
Energy: 1.5974652773057567
Energy: 1.7091713657536236
Energy: 1.766701415248497
Energy: 1.7091713657536236
Energy: 1.4820957211928405
Energy: 1.197874179088268
Energy: 1.2003280769035545
Energy: 1.197874179088268
Energy: 1.482095721193488
Energy: 1.1978741790889151
Energy: 1.210931149565833
Energy: 1.2950130267061246
Energy: 1.43024219729287
Energy: 1.2950130267022413
Energy: 1.210931149565833
Energy: 1.2950130267138915
Energy: 1.3575338884299828
Energy: 1.5003379149962284
Energy: 1.3089962408043048
Energy: 1.5003379149832836
Energy: 1.3575338884293355
Energy: 1.5003379149891087
Energy: 1.199167555093295
Energy: 1.2248098963559688
Energy: 1.5413469436198486
Energy: 1.2248098963559688
Energy: 1.199167555093295
Energy: 1.2248098963559688
Energy: 1.3330299072623548
Energy: 1.528517606182333
Energy: 1.366908856956424
Energy: 1.5285176026156637
Energy: 1.3330299072617078
Energy: 1.5285176042324078
Energy: 1.1983326458846923
Energy: 1.3525354869526582
Energy: 1.591539572047566
Energy: 1.3525354869520108
Energy: 1.1983326458840744
Energy: 1.3525354869603956
Energy: 1.4802214359120203
Energy: 1.3402420421850667
Energy: 1.192897215580649
Energy: 1.3402420421100163
Energy: 1.4802214359113732
Energy: 1.3402420421113106
Energy: 1.3649984638337989
Energy: 1.57077725084405
Energy: 1.184826376730829
Energy: 1.5707772508705868
Energy: 1.3649984638337989
Energy: 1.5707772508252802
Energy: 1.6794546722796637
Energy: 1.2563527948074518
Energy: 1.198347647961098
Energy: 1.2563527948126296
Energy: 1.6794546722796637
Energy: 1.2563527948184547
Energy: 1.3398896606421413
Energy: 1.6993187060802248
Energy: 1.3236036165503342
Energy: 1.699318706080872
Energy: 1.3398896606421413
Energy: 1.6993187060802248
Energy: 1.1846834523516245
Energy: 1.6160528002117127
Energy: 1.208483167072323
Energy: 1.6160528002123602
Energy: 1.184683452352919
Energy: 1.6160528002123602
Energy: 1.196079425975987
Energy: 1.3764450352978297
Energy: 1.7573005446302397
Energy: 1.3764450352415494
Energy: 1.1960794259766343
Energy: 1.376445035293299
Energy: 1.1865120388411337
Energy: 1.7343244510420879
Energy: 1.7569301802039905
Energy: 1.7343244510420879
Energy: 1.186512038841781
Energy: 1.7343244510420879
Energy: 1.1966824195020829
Energy: 1.696401587715416
Energy: 1.3259716632550058
Energy: 1.696401587715416
Energy: 1.1966824195020829
Energy: 1.6964015877160634
Energy: 1.3159987844765673
Energy: 1.657059502049548
Energy: 1.2087498108074013
Energy: 1.6570595020482537
Energy: 1.3159987844778616
Energy: 1.657059502049548
Energy: 1.3344856029882648
Energy: 1.5174602634916001
Energy: 1.1924281745713092
Energy: 1.5174602634935417
Energy: 1.3344856029876175
Energy: 1.5174602634922472
Energy: 1.7033782901906624
Energy: 1.5459614883070865
Energy: 1.182277136011457
Energy: 1.5459614889255526
Energy: 1.7033782901913097
Energy: 1.5459614882954362
Energy: 1.5313120366050186
Energy: 1.514662413736159
Energy: 1.2010671560624986
Energy: 1.5146624110480582
Energy: 1.5313120366050186
Energy: 1.5146624127650652
Energy: 1.193589254061096
Energy: 1.5428237590313847
Energy: 1.193025866510726
Energy: 1.5428237586651945
Energy: 1.1935892540604487
Energy: 1.5428237584452509
Energy: 1.2009792488188333
Energy: 1.5038541052628538
Energy: 1.698553183593279
Energy: 1.5038541686033051
Energy: 1.2009792488194806
Energy: 1.503854137136224
Energy: 1.1823767382683117
Energy: 1.5565679151111245
Energy: 1.7035959328040595
Energy: 1.5565679151182439
Energy: 1.182376738268959
Energy: 1.5565679151117715
Energy: 1.1770344662471623
Energy: 1.5545030685133097
Energy: 1.334739222780368
Energy: 1.554503068511368
Energy: 1.1770344662458678
Energy: 1.5545030685074845
Energy: 1.2091911480030606
Energy: 1.5069105826379403
Energy: 1.3173319330081712
Energy: 1.506910582634704
Energy: 1.2091911480030606
Energy: 1.506910582634704
Energy: 1.3166338698601339
Energy: 1.657922551429888
Energy: 1.1825357295952188
Energy: 1.657922551429241
Energy: 1.3166338698594866
Energy: 1.657922551429241
Energy: 1.779731178467692
Energy: 1.7343275357875205
Energy: 1.1870354236237908
Energy: 1.7343275357881676
Energy: 1.779731178467692
Energy: 1.7343275357868733
Energy: 1.7527626660830071
Energy: 1.3552363794765665
Energy: 1.1955548928154398
Energy: 1.3552363794765665
Energy: 1.7527626660830071
Energy: 1.3552363794778608
Energy: 1.2086261591381589
Energy: 1.6058390462995673
Energy: 1.1855456810334153
Energy: 1.6058390462892116
Energy: 1.2086261591394531
Energy: 1.6058390462969783
Energy: 1.3140480058605686
Energy: 1.6278211715368658
Energy: 1.340211993139085
Energy: 1.6278211715368658
Energy: 1.314048005859274
Energy: 1.6278211715368658
Energy: 1.1980529808410494
Energy: 1.3362032570166686
Energy: 1.6818138903542197
Energy: 1.336203257017316
Energy: 1.198052980840402
Energy: 1.336203257017316
Energy: 1.1826960352023637
Energy: 1.5591995015548776
Energy: 1.365066005491558
Energy: 1.559199500889163
Energy: 1.1826960352004219
Energy: 1.5591995014222526
Energy: 1.1947078998281593
Energy: 1.3453463699267314
Energy: 1.4952629427809192
Energy: 1.3453463699189645
Energy: 1.1947078998288063
Energy: 1.3453463699273787
Energy: 1.5907480225608657
Energy: 1.3015436736813617
Energy: 1.198300107713717
Energy: 1.3015436737189015
Energy: 1.5907480225608657
Energy: 1.3015436736774784
Energy: 1.3669429631485184
Energy: 1.5057807557284635
Energy: 1.326131325156212
Energy: 1.5057807560655276
Energy: 1.3669429631485184
Energy: 1.5057807549178555
Energy: 1.4962790321242412
Energy: 1.2248098963553216
Energy: 1.1990347596153395
Energy: 1.2248098963553216
Energy: 1.4962790321229469
Energy: 1.2248098963553216
Energy: 1.3076325157281798
Energy: 1.5450005516418783
Energy: 1.3579677211029697
Energy: 1.5450005516425258
Energy: 1.3076325157281798
Energy: 1.5450005516405838
Energy: 1.4302153431202056
Energy: 1.2942118686646065
Energy: 1.2086228294219323
Energy: 1.294211868663312
Energy: 1.4302153431202056
Energy: 1.2942118686646065
Energy: 1.1956001672895449
Energy: 1.1954480898636743
Energy: 1.490559205352318
Energy: 1.1954480898643216
Energy: 1.1956001672901921
Energy: 1.1954480898636743
Energy: 1.4683921234362203
Energy: 1.7091713657536236
Energy: 1.7667014152510858
Energy: 1.7091713657536236
Energy: 1.4683921234362203
Energy: 1.7091713657536236
Energy: 1.2003280769042017
Energy: 1.1978741790889151
Energy: 1.4820957211941352
Energy: 1.1978741790895624
Energy: 1.2003280769042017
Energy: 1.1978741790889151
Energy: 1.4302421972695987
Energy: 1.2950130266964162
Energy: 1.210931149565833
Energy: 1.2950130266886493
Energy: 1.4302421972702462
Energy: 1.2950130266892965
Energy: 1.3089962408055995
Energy: 1.5003379153831007
Energy: 1.3575338884248047
Energy: 1.5003379153539749
Energy: 1.3089962408055995
Energy: 1.5003379153546221
Energy: 1.5413469436185538
Energy: 1.2248098963559688
Energy: 1.199167555093295
Energy: 1.2248098963559688
Energy: 1.5413469436192013
Energy: 1.2248098963559688

minimum gb energy = 1.1770344662458678 eV
minimum distance =  2.2513448101779 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.3861206486060174
Energy: 1.679024351009224
Energy: 1.5418859449570583
Energy: 1.67902435100817
Energy: 1.3861206486060174
Energy: 1.67902435100817
Energy: 1.29797499927572
Energy: 1.1613160327355312
Energy: 1.1595084837769616
Energy: 1.1613160327365848
Energy: 1.29797499927572
Energy: 1.1613160327376388
Energy: 1.1575987400683136
Energy: 1.3302534699355997
Energy: 1.2818486871769559
Energy: 1.3302534699366537
Energy: 1.1575987400693675
Energy: 1.3302534699366537
Energy: 1.4022074451794548
Energy: 1.472000303347263
Energy: 1.348329361288343
Energy: 1.472000303347263
Energy: 1.4022074450457105
Energy: 1.472000303347263
Energy: 1.1541338939388037
Energy: 1.2226192798204099
Energy: 1.3935530920049692
Energy: 1.2226192798530795
Energy: 1.1541338939388037
Energy: 1.2226192798298945
Energy: 1.4069608652979577
Energy: 1.4822294175703097
Energy: 1.348582322601983
Energy: 1.4822294175692559
Energy: 1.4069608652947962
Energy: 1.4822294175692559
Energy: 1.1549988062528649
Energy: 1.3439266652661161
Energy: 1.170612036353148
Energy: 1.3439266652798165
Energy: 1.1549988062539185
Energy: 1.3439266652734934
Energy: 1.6078313623461187
Energy: 1.251419705350526
Energy: 1.1487023764284396
Energy: 1.2514197053494722
Energy: 1.607831362359819
Energy: 1.2514197053494722
Energy: 1.3833899963748975
Energy: 1.6755358896214296
Energy: 1.1641636925088494
Energy: 1.6755358896214296
Energy: 1.3833899963748975
Energy: 1.6755358896224835
Energy: 1.2655200269851599
Energy: 1.1578467246284831
Energy: 1.1489218148039007
Energy: 1.1578467246305908
Energy: 1.2655200269883213
Energy: 1.1578467246316448
Energy: 1.1549091972292498
Energy: 1.4250647382090338
Energy: 1.3761100721702655
Energy: 1.4250647382079797
Energy: 1.1549091972292498
Energy: 1.4250647382090338
Energy: 1.2059565945161388
Energy: 1.3786832510959646
Energy: 1.34595428030602
Energy: 1.3786832510949105
Energy: 1.2059565945150852
Energy: 1.3786832510875335
Energy: 1.1596170645094206
Energy: 1.5010879395862877
Energy: 1.376019344698261
Energy: 1.501087939585234
Energy: 1.1596170645083668
Energy: 1.501087939585234
Energy: 1.3642917075328092
Energy: 1.5502869583927006
Energy: 1.3469547812016023
Energy: 1.5502869583927006
Energy: 1.3642917075317553
Energy: 1.55028695839797
Energy: 1.157288491107188
Energy: 1.3427712732604966
Energy: 1.1654658779026132
Energy: 1.3427712732604966
Energy: 1.157288491107188
Energy: 1.3427712732604966
Energy: 1.586571634036507
Energy: 1.615815957199431
Energy: 1.147380839022028
Energy: 1.615815957200485
Energy: 1.5865716340333453
Energy: 1.615815957201539
Energy: 1.3901900017817856
Energy: 1.7399871440488073
Energy: 1.1597302991502352
Energy: 1.7399871440466996
Energy: 1.3901900017817856
Energy: 1.7399871440466996
Energy: 1.3221076992512826
Energy: 1.7102943719240329
Energy: 1.1546365368195974
Energy: 1.710294371925087
Energy: 1.322107699250229
Energy: 1.710294371925087
Energy: 1.1571289153431057
Energy: 1.5086588681600464
Energy: 1.3619662619326096
Energy: 1.5086588681579387
Energy: 1.1571289153431057
Energy: 1.5086588681579387
Energy: 1.3149404845899337
Energy: 1.7285155785430866
Energy: 1.3543653873332548
Energy: 1.728515578542033
Energy: 1.3149404845888797
Energy: 1.728515578542033
Energy: 1.1522498530951502
Energy: 1.5485093700942951
Energy: 1.3801163350312147
Energy: 1.5485093700942951
Energy: 1.1522498530951502
Energy: 1.548509370089026
Energy: 1.1586333644818847
Energy: 1.5064019132072561
Energy: 1.3553452049078536
Energy: 1.5064019132072561
Energy: 1.1586333644808307
Energy: 1.5064019132083102
Energy: 1.1646039570279758
Energy: 1.3445081127204064
Energy: 1.1570784040719377
Energy: 1.3445081128541987
Energy: 1.1646039570279758
Energy: 1.344508112763615
Energy: 1.388111756911772
Energy: 1.7450449326880682
Energy: 1.1555245761258537
Energy: 1.745044932687014
Energy: 1.388111756911772
Energy: 1.745044932687014
Energy: 1.3915902194107388
Energy: 1.8119726124267612
Energy: 1.15172654762064
Energy: 1.8119726124246536
Energy: 1.391590219409685
Energy: 1.8119726124257076
Energy: 1.160989081706244
Energy: 1.401852517701666
Energy: 1.16148579469837
Energy: 1.4018525177248509
Energy: 1.1609890817072979
Energy: 1.4018525177574725
Energy: 1.1553347187044352
Energy: 1.500914506396831
Energy: 1.3509351498181958
Energy: 1.5009145063978848
Energy: 1.1553347187044352
Energy: 1.5009145063915617

minimum gb energy = 1.147380839022028 eV
minimum distance =  2.25033242697238 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.461085438603572
Energy: 1.6914054488519896
Energy: 1.581577948161034
Energy: 1.6914054488512216
Energy: 1.461085438603572
Energy: 1.6914054488519896
Energy: 1.2582160746314084
Energy: 1.2162467917840554
Energy: 1.201279150215253
Energy: 1.2162467917848234
Energy: 1.2582160746314084
Energy: 1.2162467917848234
Energy: 1.2008703740652413
Energy: 1.3556812021974003
Energy: 1.5683691636600425
Energy: 1.3556812022219715
Energy: 1.2008703740652413
Energy: 1.3556812022104539
Energy: 1.4919595985707752
Energy: 1.6530187096189224
Energy: 1.3744615592152223
Energy: 1.653018709626601
Energy: 1.4919595985707752
Energy: 1.6530187096212259
Energy: 1.19691350691063
Energy: 1.2738619333126968
Energy: 1.335283190195837
Energy: 1.2738619333126968
Energy: 1.19691350691063
Energy: 1.2738619333126968
Energy: 1.4146133165348616
Energy: 1.33610480187735
Energy: 1.2650642363384732
Energy: 1.336104801901921
Energy: 1.4146133165663086
Energy: 1.3361048018750463
Energy: 1.2650013418277029
Energy: 1.3605471958747597
Energy: 1.2216379515471707
Energy: 1.3605471958617061
Energy: 1.265001341826935
Energy: 1.3605471958517241
Energy: 1.3579728831849531
Energy: 1.2708401496837032
Energy: 1.19931558909377
Energy: 1.2708401496837032
Energy: 1.3579728831841853
Energy: 1.2708401496837032
Energy: 1.3862121514641232
Energy: 1.4343039636644244
Energy: 1.3678655253603444
Energy: 1.4343038734026754
Energy: 1.3862121514633552
Energy: 1.434303991065176
Energy: 1.4263848957054714
Energy: 1.3515367189837282
Energy: 1.203071222107911
Energy: 1.3515367189277103
Energy: 1.4263848957062395
Energy: 1.3515367189860317
Energy: 1.2015792823287956
Energy: 1.2895651666069847
Energy: 1.7410794173277166
Energy: 1.289565166606217
Energy: 1.2015792823287956
Energy: 1.289565166606217
Energy: 1.214247161725906
Energy: 1.6589312109518535
Energy: 1.4651879584378678
Energy: 1.6589312109725505
Energy: 1.214247161725906
Energy: 1.6589312103370526
Energy: 1.2053635949717543
Energy: 1.2196777560770253
Energy: 1.380739258574306
Energy: 1.2196777560777932
Energy: 1.205363594972522
Energy: 1.2196777560770253
Energy: 1.405135313479724
Energy: 1.4445152413227484
Energy: 1.2556917531247942
Energy: 1.4445152413212128
Energy: 1.405135313472813
Energy: 1.444515241320445
Energy: 1.3810352457910895
Energy: 1.3961247080153687
Energy: 1.2191039169533864
Energy: 1.3950498262987778
Energy: 1.3810352457918573
Energy: 1.3952750793166286
Energy: 1.3747856290061404
Energy: 1.4630921940169033
Energy: 1.204680959394167
Energy: 1.463092194013832
Energy: 1.3747856290061404
Energy: 1.4630921940145998
Energy: 1.2643283926154851
Energy: 1.4687209055170718
Energy: 1.3987692397432843
Energy: 1.4687209055170718
Energy: 1.2643283926154851
Energy: 1.4687209055178396
Energy: 1.2107346001365826
Energy: 1.3631711693539725
Energy: 1.2614437036119168
Energy: 1.3631708332831125
Energy: 1.2107346001373505
Energy: 1.3631708653265098
Energy: 1.2159723388940635
Energy: 1.3459168103670531
Energy: 1.3710179596880605
Energy: 1.3459168100945724
Energy: 1.2159723388932955
Energy: 1.34591681011684
Energy: 1.2015721915001931
Energy: 1.7763609338315436
Energy: 1.3787992544929526
Energy: 1.77636093382924
Energy: 1.2015721915001931
Energy: 1.7763609338300081
Energy: 1.2052376393899396
Energy: 1.3959940801178565
Energy: 1.214985206368718
Energy: 1.3959940802751951
Energy: 1.2052376393907074
Energy: 1.395994080433302
Energy: 1.7549805440569897
Energy: 1.5167261834722023
Energy: 1.2045378258022963
Energy: 1.5167261834722023
Energy: 1.7549805440554542
Energy: 1.5167261834722023
Energy: 1.870468324984868
Energy: 1.6694737167617169
Energy: 1.2120736880686296
Energy: 1.6694737167617169
Energy: 1.870468324985636
Energy: 1.6694737167617169
Energy: 1.2232012933273488
Energy: 1.78694105727653
Energy: 1.2172451958076962
Energy: 1.7869410572796016
Energy: 1.2232012933273488
Energy: 1.78694105727653
Energy: 1.2059360274781858
Energy: 1.554018195788629
Energy: 1.3738494020273693
Energy: 1.5540181957694328
Energy: 1.2059360274781858
Energy: 1.5540181958285222
Energy: 1.216042679787431
Energy: 1.7475257128078352
Energy: 1.4070499093732665
Energy: 1.7475257128078352
Energy: 1.2160426797866632
Energy: 1.7475257128078352
Energy: 1.2147172582697807
Energy: 1.4724960555442341
Energy: 1.3544058337069613
Energy: 1.472496055504341
Energy: 1.2147172582697807
Energy: 1.4724960554582702
Energy: 1.3543726789678694
Energy: 1.7234024146676519
Energy: 1.354658073534278
Energy: 1.7234024146668838
Energy: 1.3543726789686372
Energy: 1.7234024146676519
Energy: 1.35469573188116
Energy: 1.4741274435738811
Energy: 1.2038524548325753
Energy: 1.474127430359727
Energy: 1.35469573188116
Energy: 1.4741274439852727
Energy: 1.3801505742020292
Energy: 1.7492867091615971
Energy: 1.2151855533422753
Energy: 1.7492867091623647
Energy: 1.380150574202797
Energy: 1.7492867091623647
Energy: 1.3746828278990424
Energy: 1.5404031363347142
Energy: 1.2065343702696298
Energy: 1.5404031363400543
Energy: 1.3746828278975065
Energy: 1.5404031363446613
Energy: 1.2170766188000077
Energy: 1.566249620328821
Energy: 1.2020282470929686
Energy: 1.5662496203295888
Energy: 1.2170766188000077
Energy: 1.5662496203295888
Energy: 1.2128400058185151
Energy: 1.4512888205824026
Energy: 1.661129391003316
Energy: 1.4512888212478114
Energy: 1.212840005819283
Energy: 1.451288820816491
Energy: 1.2057953832938841
Energy: 1.534218925425311
Energy: 1.7516401137520214
Energy: 1.534218925425311
Energy: 1.2057953832931163
Energy: 1.534218925425311
Energy: 1.2103784074420991
Energy: 1.3631134791851984
Energy: 1.2767200161930474
Energy: 1.3631134791698765
Energy: 1.2103784074405635
Energy: 1.363113479182127
Energy: 1.377153320369026
Energy: 1.7453662516894428
Energy: 1.2005954257203058
Energy: 1.7453662516917463
Energy: 1.377153320369026
Energy: 1.7453662516902109

minimum gb energy = 1.19691350691063 eV
minimum distance =  2.23932891934798 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.21980124627647
Energy: 1.2299445654042984
Energy: 1.5129368453713448
Energy: 1.229944565404587
Energy: 1.2198012462767587
Energy: 1.2299445654042984
Energy: 1.517349522173756
Energy: 1.2306470989248752
Energy: 1.2291650012227133
Energy: 1.2306470989254201
Energy: 1.5173495326384747
Energy: 1.2306470989254201
Energy: 1.2303442922380157
Energy: 1.2311816569444818
Energy: 1.8016910933283143
Energy: 1.2311816569444818
Energy: 1.2303442922380157
Energy: 1.2311816569447704
Energy: 1.512936832156261
Energy: 1.2299445654042984
Energy: 1.2198012462767587
Energy: 1.2299445654042984
Energy: 1.5129368347515217
Energy: 1.2299445654042984
Energy: 1.2291650012224247
Energy: 1.2306470989248752
Energy: 1.517349517324766
Energy: 1.2306470989251637
Energy: 1.2291650012224247
Energy: 1.2306470989248752
Energy: 1.8016910933192736
Energy: 1.2311816569453151
Energy: 1.2303442922380157
Energy: 1.2311816569444818
Energy: 1.8016910933173178
Energy: 1.2311816569444818
Energy: 1.21980124627647
Energy: 1.2299445654048755
Energy: 1.5129368298794166
Energy: 1.229944565404587
Energy: 1.21980124627647
Energy: 1.2299445654042984
Energy: 1.5173495096670622
Energy: 1.2306470989248752
Energy: 1.2291650012227133
Energy: 1.2306470989251637
Energy: 1.5173495105646684
Energy: 1.2306470989251637
Energy: 1.2303442922380157
Energy: 1.2311816569444818
Energy: 1.8016910933206842
Energy: 1.2311816569447704
Energy: 1.2303442922380157
Energy: 1.2311816569444818
Energy: 1.512936824572743
Energy: 1.2299445654048755
Energy: 1.2198012462767587
Energy: 1.2299445654042984
Energy: 1.5129368248583945
Energy: 1.229944565404587

minimum gb energy = 1.21980124627647 eV
minimum distance =  2.25587218659562 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.7593962992446763
Energy: 1.7046419601308578
Energy: 1.6877890332701484
Energy: 1.7046419601409892
Energy: 1.7593962992446763
Energy: 1.7046419601105955
Energy: 1.4532257997469957
Energy: 1.2356627612932019
Energy: 1.1668868820562028
Energy: 1.2356627612923574
Energy: 1.453225799956297
Energy: 1.2356627612923574
Energy: 1.1838503580104114
Energy: 1.1955755064216436
Energy: 1.317796878336072
Energy: 1.1955755064224878
Energy: 1.1838503580104114
Energy: 1.1955755064216436
Energy: 1.6405608759055816
Energy: 1.4302412813272198
Energy: 1.2567185610336147
Energy: 1.430241280148278
Energy: 1.6405608759047374
Energy: 1.4302412818554622
Energy: 1.2354192964123094
Energy: 1.2099383873801166
Energy: 1.5835704303903964
Energy: 1.209938387381805
Energy: 1.2354192964123094
Energy: 1.2099383873801166
Energy: 1.4368904240166758
Energy: 1.2626223575185822
Energy: 1.172083334999545
Energy: 1.2626223575185822
Energy: 1.436890423965214
Energy: 1.2626223575194264
Energy: 1.2353922096945782
Energy: 1.2156140543625853
Energy: 1.2247796393058257
Energy: 1.2156140543617413
Energy: 1.2353922096945782
Energy: 1.2156140543608969
Energy: 1.2012508502434496
Energy: 1.6535919095163891
Energy: 1.2649714442818993
Energy: 1.6535919095172331
Energy: 1.2012508502434496
Energy: 1.6535919095180776
Energy: 1.1850584663616777
Energy: 1.1969037963084974
Energy: 1.6415463780972783
Energy: 1.1969037962890794
Energy: 1.1850584663616777
Energy: 1.1969037962789484
Energy: 1.1844019322386967
Energy: 1.2252509563430714
Energy: 1.166270673460574
Energy: 1.2252509563430714
Energy: 1.184401932239541
Energy: 1.2252509563439156
Energy: 1.6477173329944448
Energy: 1.6677988090731255
Energy: 1.2228692059168687
Energy: 1.6677988090748141
Energy: 1.6477173329944448
Energy: 1.6677988090765024
Energy: 1.6575876427255853
Energy: 1.4561801629414866
Energy: 1.164497635276771
Energy: 1.4561801629414866
Energy: 1.657587642724741
Energy: 1.4561801629406426
Energy: 1.1847818116988558
Energy: 1.2979702207196617
Energy: 1.1836198186654538
Energy: 1.2979702207196617
Energy: 1.1847818116988558
Energy: 1.297970220720506
Energy: 1.1855810826862543
Energy: 1.6326953578082488
Energy: 1.2658687704896134
Energy: 1.6326953578090933
Energy: 1.1855810826862543
Energy: 1.6326953578090933
Energy: 1.23154575939994
Energy: 1.2728488935032864
Energy: 1.2742631126495594
Energy: 1.2728488935024425
Energy: 1.23154575939994
Energy: 1.272848893501598
Energy: 1.2586755103752731
Energy: 1.4126827384241496
Energy: 1.1719104047357607
Energy: 1.412682739089969
Energy: 1.2586755103752731
Energy: 1.412682739895054
Energy: 1.2427660600193022
Energy: 1.5506696568620295
Energy: 1.1712957143928022
Energy: 1.5506696568400788
Energy: 1.2427660600201464
Energy: 1.550669656856964
Energy: 1.2459181369184211
Energy: 1.3243883189611934
Energy: 1.2643213792560657
Energy: 1.3243883189620376
Energy: 1.2459181369175767
Energy: 1.3243883189628818
Energy: 1.1866001837396107
Energy: 1.3926380590004546
Energy: 1.2656944106957666
Energy: 1.3926380577489825
Energy: 1.1866001837396107
Energy: 1.3926380622460843
Energy: 1.1896207924154343
Energy: 1.4367256138803448
Energy: 1.1638480986361084
Energy: 1.4367256138786562
Energy: 1.1896207924154343
Energy: 1.4367256138786562
Energy: 1.6667251840580048
Energy: 1.4885750530874537
Energy: 1.164689578238273
Energy: 1.4885750530882982
Energy: 1.6667251840580048
Energy: 1.4885750530874537
Energy: 1.6411566019593107
Energy: 1.3016220148984639
Energy: 1.220438869731756
Energy: 1.3016220150039588
Energy: 1.6411566019593107
Energy: 1.3016220149963604
Energy: 1.1882861539704623
Energy: 1.2242610853198137
Energy: 1.1642039374257032
Energy: 1.2242610853198137
Energy: 1.1882861539696181
Energy: 1.2242610853198137
Energy: 1.1895702011373501
Energy: 1.5098048636200032
Energy: 1.6213282426439275
Energy: 1.5098048636183143
Energy: 1.1895702011373501
Energy: 1.509804863619159
Energy: 1.2010286448935954
Energy: 1.3255502187682846
Energy: 1.2608198070536527
Energy: 1.325550218766596
Energy: 1.2010286448927512
Energy: 1.3255502187674404
Energy: 1.2336421682406287
Energy: 1.5726506420852402
Energy: 1.2513681094561036
Energy: 1.5726506420793303
Energy: 1.2336421682406287
Energy: 1.5726506420953712
Energy: 1.2197610671966266
Energy: 1.2360112243192147
Energy: 1.1755584414510718
Energy: 1.2360112242314494
Energy: 1.2197610671974708
Energy: 1.2360112252947266
Energy: 1.230476254458065
Energy: 1.4185271860355417
Energy: 1.4161487782026587
Energy: 1.4185271860000825
Energy: 1.230476254458065
Energy: 1.4185271859941726
Energy: 1.2949008576407317
Energy: 1.651020414609661
Energy: 1.2596126842550308
Energy: 1.651020414548912
Energy: 1.2949008576407317
Energy: 1.6510204142991245
Energy: 1.1847118164542818
Energy: 1.1956258160364623
Energy: 1.4051142542731905
Energy: 1.1956258160364623
Energy: 1.1847118164542818
Energy: 1.1956258160364623
Energy: 1.6171426061567304
Energy: 1.2330445882080756
Energy: 1.1655209025256252
Energy: 1.2330445882080756
Energy: 1.6171426061558862
Energy: 1.2330445882097643
Energy: 1.7685264684692275
Energy: 1.714310864621785
Energy: 1.2233007209806166
Energy: 1.7143108646150307
Energy: 1.7685264684692275
Energy: 1.7143108646209408
Energy: 1.4629779189062952
Energy: 1.2287683149204145
Energy: 1.1660706796363352
Energy: 1.2287683149221031
Energy: 1.4629779189071395
Energy: 1.228768314921259

minimum gb energy = 1.1638480986361084 eV
minimum distance =  2.23655384155815 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.419233509297244
Energy: 1.556789125771315
Energy: 1.5731195862847882
Energy: 1.55678912621981
Energy: 1.419233509297244
Energy: 1.5567891249452472
Energy: 1.6885868834532982
Energy: 1.315609329791617
Energy: 1.1520996177869198
Energy: 1.3156093297940228
Energy: 1.6885868834532982
Energy: 1.3156093297928197
Energy: 1.1361250859738306
Energy: 1.217749357722294
Energy: 1.4160078343943387
Energy: 1.2177493577198881
Energy: 1.1361250859738306
Energy: 1.217749357722294
Energy: 1.5607465143520698
Energy: 1.6717193687607934
Energy: 1.298624134115315
Energy: 1.6717193687619967
Energy: 1.560746514350867
Energy: 1.6717193687607934
Energy: 1.2941317452246381
Energy: 1.714829338947876
Energy: 1.5667352896867637
Energy: 1.714829338947876
Energy: 1.2941317452246381
Energy: 1.714829338947876
Energy: 1.3054666193016315
Energy: 1.1701675618110061
Energy: 1.1247594380675616
Energy: 1.1701675759530208
Energy: 1.3054666193016315
Energy: 1.1701675072281457
Energy: 1.1408839964648028
Energy: 1.3378487197437077
Energy: 1.1432631571522964
Energy: 1.3378487197437077
Energy: 1.1408839964648028
Energy: 1.3378487197425046
Energy: 1.294749142149539
Energy: 1.6535370063985912
Energy: 1.6979237195531345
Energy: 1.6535370066631385
Energy: 1.294749142148336
Energy: 1.6535370064960329
Energy: 1.2843150163149966
Energy: 1.3059641815738516
Energy: 1.6751549540690998
Energy: 1.3059641816015204
Energy: 1.2843150163137935
Energy: 1.3059641815654308
Energy: 1.2950592158018912
Energy: 1.329284372649156
Energy: 1.1318124681392703
Energy: 1.3292843725457544
Energy: 1.295059215800688
Energy: 1.3292843726840429
Energy: 1.31812995595877
Energy: 1.388591314611387
Energy: 1.1588427044000054
Energy: 1.3885913146065751
Energy: 1.31812995595877
Energy: 1.3885913146245652
Energy: 1.319627041051841
Energy: 1.1926337976011494
Energy: 1.2994960257618877
Energy: 1.1926337976023524
Energy: 1.319627041051841
Energy: 1.1926337976023524
Energy: 1.1444528323961973
Energy: 1.3812639635639234
Energy: 1.29726189858172
Energy: 1.3812639635639234
Energy: 1.144452832394994
Energy: 1.3812639635639234
Energy: 1.140983513281313
Energy: 1.3253275344887987
Energy: 1.2912810747556482
Energy: 1.3253275345260365
Energy: 1.140983513281313
Energy: 1.3253275344839865
Energy: 1.6411898942717118
Energy: 1.5157979708873675
Energy: 1.284672793981966
Energy: 1.5157979708873675
Energy: 1.6411898946889287
Energy: 1.5157979708873675
Energy: 1.6981766883640188
Energy: 1.7425441598908162
Energy: 1.2864097164347903
Energy: 1.7425441598799893
Energy: 1.6981766532825244
Energy: 1.7425441598956282
Energy: 1.1540895930388635
Energy: 1.344263865760496
Energy: 1.139744307901545
Energy: 1.344263865760496
Energy: 1.1540895930388635
Energy: 1.344263865760496
Energy: 1.1401276295780047
Energy: 1.1542071781264631
Energy: 1.325255225723479
Energy: 1.1542071781084726
Energy: 1.1401276295780047
Energy: 1.154207178112027
Energy: 1.6344374360107705
Energy: 1.757632767251985
Energy: 1.2941914728253097
Energy: 1.7576327672916285
Energy: 1.6344374360107705
Energy: 1.7576327673036585
Energy: 1.3216484205932237
Energy: 1.7365895955849786
Energy: 1.5051592935931257
Energy: 1.7365895955801667
Energy: 1.3216484205932237
Energy: 1.7365895956992077
Energy: 1.5957522103483088
Energy: 1.1822737431602457
Energy: 1.1181695481389708
Energy: 1.1822737429726895
Energy: 1.5957522103483088
Energy: 1.1822737437686826
Energy: 1.1882775910328491
Energy: 1.301200486281035
Energy: 1.6398279049936222
Energy: 1.301200486299025
Energy: 1.1882775910328491
Energy: 1.3012004862798316
Energy: 1.5906636930080338
Energy: 1.7627015207804093
Energy: 1.2241567639529227
Energy: 1.7627015207984542
Energy: 1.590663693006831
Energy: 1.7627015207720431

minimum gb energy = 1.1181695481389708 eV
minimum distance =  2.23284416733449 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.492819576691712
Energy: 1.4342232690872179
Energy: 1.5762088448433178
Energy: 1.4342232690856918
Energy: 1.4928195766924752
Energy: 1.4342232690856918
Energy: 1.619588916590795
Energy: 1.5266811102369475
Energy: 1.0579418979581403
Energy: 1.5266811102369475
Energy: 1.619588916589269
Energy: 1.5266811102369475
Energy: 1.0612746481806647
Energy: 1.1438488792299166
Energy: 1.599933548789874
Energy: 1.1438488792299166
Energy: 1.0612746481806647
Energy: 1.1438488792299166
Energy: 1.137349287926288
Energy: 1.4355759426839856
Energy: 1.108258065971929
Energy: 1.4355759426839856
Energy: 1.137349287926288
Energy: 1.4355759426855121
Energy: 1.4178759446691667
Energy: 1.513836184581583
Energy: 1.3968919401497768
Energy: 1.5138361845747148
Energy: 1.4178759446691667
Energy: 1.5138361846326795
Energy: 1.4199468475026327
Energy: 1.3852214663271902
Energy: 1.0658176078997434
Energy: 1.3852214663287166
Energy: 1.419946847504159
Energy: 1.3852214663294797
Energy: 1.0663110750763192
Energy: 1.0896843723115408
Energy: 1.0853435767868744
Energy: 1.0896843723115408
Energy: 1.0663110750763192
Energy: 1.0896843723115408
Energy: 1.0786767470373118
Energy: 1.5101033849923227
Energy: 1.4164510686113234
Energy: 1.5101033851388128
Energy: 1.0786767470373118
Energy: 1.510103385049559
Energy: 1.410957190840338
Energy: 1.3215476944030624
Energy: 1.4166271349706039
Energy: 1.3215476944030624
Energy: 1.410957190840338
Energy: 1.3215476944030624
Energy: 1.1165940731111772
Energy: 1.2821988808858273
Energy: 1.0689722071514753
Energy: 1.2821988808835725
Energy: 1.116594073110414
Energy: 1.296306097563532
Energy: 1.0597154745247623
Energy: 1.4022532665545695
Energy: 1.086250730119879
Energy: 1.402253266555333
Energy: 1.0597154745239994
Energy: 1.4022532665538066
Energy: 1.064310545920937
Energy: 1.1363294193998787
Energy: 1.732038528820261
Energy: 1.1363294193998787
Energy: 1.0643105459217002
Energy: 1.1363294193998787
Energy: 1.4171125231681099
Energy: 1.624247081263819
Energy: 1.4941519508048544
Energy: 1.6242470812607663
Energy: 1.417112523168873
Energy: 1.6242470812630558
Energy: 1.0589280820829898
Energy: 1.385281235052511
Energy: 1.0725647653859365
Energy: 1.3852812350540376
Energy: 1.0589280820829898
Energy: 1.3852812350532744
Energy: 1.4241141093015521
Energy: 1.1540989568715547
Energy: 1.0607586864140328
Energy: 1.1540989568715547
Energy: 1.4241141093007887
Energy: 1.1540989568715547
Energy: 1.1066550017851875
Energy: 1.4443485484997471
Energy: 1.6100839099413302
Energy: 1.4443485489101489
Energy: 1.1066550017851875
Energy: 1.4443485485218786
Energy: 1.5829668950049307
Energy: 1.658400484047856
Energy: 1.4555455359654166
Energy: 1.658400484047856
Energy: 1.5829668950041678
Energy: 1.658400484047856
Energy: 1.0652709957414837
Energy: 1.0904377473494395
Energy: 1.6395657639319363
Energy: 1.0904377473502027
Energy: 1.065270995742247
Energy: 1.0904377473494395
Energy: 1.395014346553893
Energy: 1.0938639689159735
Energy: 1.063470129602965
Energy: 1.0938639689152105
Energy: 1.3950143465531297
Energy: 1.0938639689144471
Energy: 1.4505815962181334
Energy: 1.6172411701404439
Energy: 1.0789011181777612
Energy: 1.6172411701556721
Energy: 1.4505815962181334
Energy: 1.6172411701289968
Energy: 1.6142270338321436
Energy: 1.412752737280772
Energy: 1.1132122036801935
Energy: 1.4127527372815352
Energy: 1.6142270338329068
Energy: 1.4127527372815352
Energy: 1.062004307218408
Energy: 1.0885166831531008
Energy: 1.4079082434219687
Energy: 1.0885166838114224
Energy: 1.062004307218408
Energy: 1.0885166830630841
Energy: 1.0782325961346826
Energy: 1.4033813009246803
Energy: 1.061715691406418
Energy: 1.4033813009246803
Energy: 1.0782325961354458
Energy: 1.4033813009246803
Energy: 1.4557092854081581
Energy: 1.3679862983096926
Energy: 1.0729760401588637
Energy: 1.3679862983325526
Energy: 1.4557092854081581
Energy: 1.3679862983142717
Energy: 1.7259431437076613
Energy: 1.134053282104897
Energy: 1.0667918450829597
Energy: 1.134053282104897
Energy: 1.7259431437076613
Energy: 1.134053282104897
Energy: 1.0813321012525217
Energy: 1.4012065631087787
Energy: 1.0635599715412414
Energy: 1.4012065631087787
Energy: 1.0813321012517585
Energy: 1.4012065631080155
Energy: 1.0665712804875607
Energy: 1.1014047963703757
Energy: 1.401625714456531
Energy: 1.10140479636656
Energy: 1.0665712804875607
Energy: 1.101404796365797
Energy: 1.4202178684259417
Energy: 1.3089494962961534
Energy: 1.1260291842775003
Energy: 1.3089494962961534
Energy: 1.4202178684259417
Energy: 1.3089494962961534
Energy: 1.4167985251247055
Energy: 1.4980372376936093
Energy: 1.0950728981384856
Energy: 1.4980372376943725
Energy: 1.4167985251247055
Energy: 1.4980372376928461
Energy: 1.082757798027714
Energy: 1.0934882645608603
Energy: 1.065227058742485
Energy: 1.0934882645616237
Energy: 1.0827577980292404
Energy: 1.0934882645608603
Energy: 1.0650631525978023
Energy: 1.3245411176587663
Energy: 1.5618581515303247
Energy: 1.3245411172712596
Energy: 1.0650631525978023
Energy: 1.3245411177281785
Energy: 1.3968776665130047
Energy: 1.624053430957492
Energy: 1.4491959315948593
Energy: 1.6240534309567292
Energy: 1.3968776665114784
Energy: 1.6240534309567292
Energy: 1.1069256184061145
Energy: 1.4734143932703763
Energy: 1.5278705012182008
Energy: 1.47341439326885
Energy: 1.106925618405351
Energy: 1.473414393269613
Energy: 1.5241129495119532
Energy: 1.1482382255333345
Energy: 1.063287810478565
Energy: 1.1482382255394397
Energy: 1.5241129513343217
Energy: 1.148238225545545
Energy: 1.0593727872666574
Energy: 1.409014090050479
Energy: 1.5198410855890445
Energy: 1.409014090905589
Energy: 1.0593727872666574
Energy: 1.4090140913655607
Energy: 1.4162181038320094
Energy: 1.6136161454968234
Energy: 1.4948729736268427
Energy: 1.613616145499113
Energy: 1.4162181038312462
Energy: 1.6136161454960603
Energy: 1.0615161884129691
Energy: 1.724214520579799
Energy: 1.6255480475996174
Energy: 1.724214520579799
Energy: 1.0615161884129691
Energy: 1.7242145205782728

minimum gb energy = 1.0579418979581403 eV
minimum distance =  2.23904897335129 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.9164441392139729
Energy: 0.8990117614093172
Energy: 1.5717365989106211
Energy: 0.8990117627734797
Energy: 0.9164441392139729
Energy: 0.8990117608990171
Energy: 1.6537311795530276
Energy: 0.9000226900786681
Energy: 0.8874526906706214
Energy: 0.9000226900807515
Energy: 1.6537311795530276
Energy: 0.9000226900807515
Energy: 0.9167611111317204
Energy: 1.1232958623212432
Energy: 1.2679681460683414
Energy: 1.1232958623212432
Energy: 0.9167611111317204
Energy: 1.1232958623212432
Energy: 1.683255382716998
Energy: 0.8946298225911079
Energy: 0.8877476247876048
Energy: 0.8946298225911079
Energy: 1.6832553827190817
Energy: 0.8946298225911079
Energy: 0.9259240337731383
Energy: 0.9058145495497418
Energy: 0.8909957125334591
Energy: 0.9058145495539092
Energy: 0.9259240337710546
Energy: 0.9058145495518255
Energy: 0.9169798020853137
Energy: 0.9335924714117146
Energy: 0.8880827224124106
Energy: 0.9335924714117146
Energy: 0.9169798020853137
Energy: 0.9335924714096311
Energy: 1.6663663833269962
Energy: 0.8953473628233758
Energy: 0.8911902203683738
Energy: 0.8953473628233758
Energy: 1.6663663833269962
Energy: 0.8953473628233758
Energy: 0.916459276753083
Energy: 0.8945723098941645
Energy: 0.8882912124034602
Energy: 0.8945723098941645
Energy: 0.916459276753083
Energy: 0.8945723098941645
Energy: 1.6202404457434185
Energy: 0.9354043349127071
Energy: 0.8864792516838149
Energy: 0.9354043349127071
Energy: 1.6202404457434185
Energy: 0.9354043349127071
Energy: 0.9140850283856866
Energy: 1.4546256591706839
Energy: 0.8890529938123471
Energy: 1.4546256591727675
Energy: 0.9140850283856866
Energy: 1.4546256591706839
Energy: 1.5739097171725784
Energy: 0.8938888719967663
Energy: 0.8822538341885695
Energy: 0.8938888719967663
Energy: 1.5739097171725784
Energy: 0.89388887199885
Energy: 0.9145381348341984
Energy: 1.1213490973573619
Energy: 1.684575715604367
Energy: 1.1213490973573619
Energy: 0.9145381348341984
Energy: 1.1213490973573619
Energy: 1.5729842562817673
Energy: 0.8930166083516449
Energy: 0.8820533143116701
Energy: 0.8930166083495612
Energy: 1.5729842562838507
Energy: 0.8930166083495612
Energy: 0.913514015307689
Energy: 1.5011567455984802
Energy: 0.8861696149070961
Energy: 1.5011567455963966
Energy: 0.9135140153097726
Energy: 1.5011567455963966

minimum gb energy = 0.8820533143116701 eV
minimum distance =  2.26653701013314 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.5680867980622621
Energy: 1.2286898248636857
Energy: 1.56943284894616
Energy: 1.2286898248417175
Energy: 1.5680867980622621
Energy: 1.2286898248572784
Energy: 1.4157489879541167
Energy: 1.6796395063590022
Energy: 1.1685687267118814
Energy: 1.6796395063590022
Energy: 1.4157489879550318
Energy: 1.6796395063590022
Energy: 1.1714407894147265
Energy: 1.4176409464953648
Energy: 1.163021115927151
Energy: 1.4176409464944493
Energy: 1.1714407894147265
Energy: 1.4176409464944493
Energy: 1.1762471387814535
Energy: 1.2237656538059785
Energy: 1.1638556564464149
Energy: 1.2237656538059785
Energy: 1.1762471387814535
Energy: 1.2237656538059785
Energy: 1.4018616891963718
Energy: 1.3914723468594217
Energy: 1.18001417007261
Energy: 1.3914723468676597
Energy: 1.4018616891963718
Energy: 1.391472346854845
Energy: 1.2066443696964837
Energy: 1.5662111242318786
Energy: 1.4198452617258428
Energy: 1.5662111242309633
Energy: 1.2066443696964837
Energy: 1.5662111242318786
Energy: 1.1771687493960998
Energy: 1.444882993249994
Energy: 1.1995213993650695
Energy: 1.4448829941667636
Energy: 1.1771687493970153
Energy: 1.4448829941173562
Energy: 1.163683452177688
Energy: 1.27449935777857
Energy: 1.1677137833941627
Energy: 1.2744993577776549
Energy: 1.163683452177688
Energy: 1.27449935777857
Energy: 1.4265800953217418
Energy: 1.2610237308252263
Energy: 1.1597607906825675
Energy: 1.2610237308343797
Energy: 1.4265800953208265
Energy: 1.2610237308316337
Energy: 1.2333155287426376
Energy: 1.5339781691531027
Energy: 1.2206371441319068
Energy: 1.5339781691668117
Energy: 1.2333155287417223
Energy: 1.5339781691604253
Energy: 1.3601464175461695
Energy: 1.364899746528685
Energy: 1.4352279767242415
Energy: 1.3648997458616974
Energy: 1.3601464175461695
Energy: 1.3648997430272614
Energy: 1.1571940122536282
Energy: 1.3726538880307892
Energy: 1.453477792128205
Energy: 1.3726538880335353
Energy: 1.1571940122545437
Energy: 1.3726538880298738
Energy: 1.1708083658915294
Energy: 1.4690768687763698
Energy: 1.307549818536716
Energy: 1.4690768687763698
Energy: 1.1708083658915294
Energy: 1.4690768687754543
Energy: 1.1804548048601342
Energy: 1.3648851653353857
Energy: 1.1794962143492898
Energy: 1.3648851653363012
Energy: 1.1804548048592187
Energy: 1.3648851653363012
Energy: 1.1598833021481763
Energy: 1.6117933350576714
Energy: 1.4238214574194863
Energy: 1.6117933350576714
Energy: 1.1598833021481763
Energy: 1.6117933350576714
Energy: 1.485688492078709
Energy: 1.6642250322335002
Energy: 1.2617262638454962
Energy: 1.664225032232585
Energy: 1.4856884920732167
Energy: 1.6642250322335002
Energy: 1.2006269134309981
Energy: 1.6483703895601918
Energy: 1.2602506047113513
Energy: 1.6483703895592765
Energy: 1.2006269134309981
Energy: 1.6483703895601918
Energy: 1.4144763913537335
Energy: 1.6404528326198278
Energy: 1.1978904826074872
Energy: 1.6404528326198278
Energy: 1.4144763913537335
Energy: 1.6404528326189125
Energy: 1.1792741450212814
Energy: 1.1789116729698539
Energy: 1.190079489390364
Energy: 1.1789116729698539
Energy: 1.1792741450221964
Energy: 1.1789116729698539
Energy: 1.1612070323505688
Energy: 1.4370034730337127
Energy: 1.1711173008907965
Energy: 1.4370034730337127
Energy: 1.161207032351484
Energy: 1.4370034730337127
Energy: 1.4441106557386998
Energy: 1.3658452031621129
Energy: 1.1657479539520454
Energy: 1.3658452031666894
Energy: 1.4441106557396153
Energy: 1.3658452032261446
Energy: 1.5341267641423764
Energy: 1.710354236143872
Energy: 1.4259432510204513
Energy: 1.710354236143872
Energy: 1.5341267641423764
Energy: 1.710354236143872
Energy: 1.180704858567168
Energy: 1.691302885740243
Energy: 1.235339843703996
Energy: 1.691302885740243
Energy: 1.180704858567168
Energy: 1.691302885740243
Energy: 1.160293571557943
Energy: 1.2616452656765547
Energy: 1.4090522851026523
Energy: 1.261645265812877
Energy: 1.160293571557943
Energy: 1.2616452660635538
Energy: 1.2512765047734358
Energy: 1.2671053522983808
Energy: 1.1538178236415324
Energy: 1.267105352295656
Energy: 1.2512765047734358
Energy: 1.2671053522965712
Energy: 1.1998257378663095
Energy: 1.4438095598426801
Energy: 1.1813978074949385
Energy: 1.4438095598435952
Energy: 1.1998257378663095
Energy: 1.4438095598426801
Energy: 1.4345199657447578
Energy: 1.3738053150333354
Energy: 1.4031187406085064
Energy: 1.3737725241702976
Energy: 1.4345199657438423
Energy: 1.3739068433206683
Energy: 1.1783591858927156
Energy: 1.3708109608980317
Energy: 1.2022708344339472
Energy: 1.3708109608632697
Energy: 1.1783591858927156
Energy: 1.3708109607726933
Energy: 1.173555163892591
Energy: 1.1855419034341783
Energy: 1.1869713626086433
Energy: 1.1855419034424162
Energy: 1.173555163892591
Energy: 1.1855419034762626
Energy: 1.1521581159725294
Energy: 1.4395612900640382
Energy: 1.1639254109446153
Energy: 1.4395612900631227
Energy: 1.1521581159725294
Energy: 1.4395612900631227
Energy: 1.1685602993282118
Energy: 1.6809446510573245
Energy: 1.4131989195518575
Energy: 1.6809446510564092
Energy: 1.1685602993282118
Energy: 1.6809446510573245

minimum gb energy = 1.1521581159725294 eV
minimum distance =  2.22463731940902 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.3943900506601539
Energy: 1.3881249581998483
Energy: 1.3505054721419256
Energy: 1.3881249581998483
Energy: 1.3943900506601539
Energy: 1.3881249581998483
Energy: 1.2626409624401496
Energy: 1.3573818819706356
Energy: 1.2378023077036175
Energy: 1.3573818819706356
Energy: 1.2626409624401496
Energy: 1.3573818819722643
Energy: 1.302924444905476
Energy: 1.349288688197651
Energy: 1.2377502969723508
Energy: 1.349288688197651
Energy: 1.302924444905476
Energy: 1.349288688197651
Energy: 1.2378234208694985
Energy: 1.484851627579559
Energy: 1.2375895327611581
Energy: 1.484851627579559
Energy: 1.2378234208694985
Energy: 1.484851627579559
Energy: 1.2374449158930276
Energy: 1.3492076017509929
Energy: 1.230194179725198
Energy: 1.3492076017509929
Energy: 1.2374449158930276
Energy: 1.3492076017509929
Energy: 1.2380995383867552
Energy: 1.353683661253417
Energy: 1.262833036251401
Energy: 1.3536836612322418
Energy: 1.2380995383867552
Energy: 1.3536836612240977
Energy: 1.3505054721419256
Energy: 1.3881249581998483
Energy: 1.3943900506617826
Energy: 1.3881249581998483
Energy: 1.3505054721419256
Energy: 1.3881249581998483
Energy: 1.2378023077036175
Energy: 1.5601458787914342
Energy: 1.2626409624401496
Energy: 1.3573818819706356
Energy: 1.2378023077052465
Energy: 1.5601458787898053
Energy: 1.2377502969739798
Energy: 1.349288688197651
Energy: 1.3029244449038473
Energy: 1.349288688197651
Energy: 1.2377502969739798
Energy: 1.349288688197651
Energy: 1.2375895327611581
Energy: 1.484851627579559
Energy: 1.2378234208694985
Energy: 1.484851627579559
Energy: 1.2375895327611581
Energy: 1.484851627579559
Energy: 1.2301941797268268
Energy: 1.3492076017509929
Energy: 1.2374449158930276
Energy: 1.3492076017509929
Energy: 1.2301941797268268
Energy: 1.3492076017509929
Energy: 1.2628330362562876
Energy: 1.3536836612192111
Energy: 1.2380995383867552
Energy: 1.3536836612550458
Energy: 1.2628330362562876
Energy: 1.3536836612094378
Energy: 1.3943900506617826
Energy: 1.3881249581998483
Energy: 1.4970178632675637
Energy: 1.3881249581998483
Energy: 1.3943900506601539
Energy: 1.3881249581998483
Energy: 1.2626409624401496
Energy: 1.3918340514943761
Energy: 1.2378023077036175
Energy: 1.3918340514943761
Energy: 1.2626409624401496
Energy: 1.3918340514943761
Energy: 1.3029244449038473
Energy: 1.349288688197651
Energy: 1.2377502969739798
Energy: 1.349288688197651
Energy: 1.3029244449038473
Energy: 1.349288688197651
Energy: 1.2378234208694985
Energy: 1.484851627579559
Energy: 1.2375895327611581
Energy: 1.6182603788670407
Energy: 1.2378234208694985
Energy: 1.484851627579559
Energy: 1.2374449158930276
Energy: 1.3492076017509929
Energy: 1.230194179725198
Energy: 1.3492076017509929
Energy: 1.2374449158930276
Energy: 1.3492076017509929

minimum gb energy = 1.230194179725198 eV
minimum distance =  2.25784314297482 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.3969826631415556
Energy: 1.6732574598929175
Energy: 1.506829097136923
Energy: 1.6732574598929175
Energy: 1.3969826641704832
Energy: 1.6732574598929175
Energy: 1.3060295435496208
Energy: 1.480593106319911
Energy: 1.3669758035091069
Energy: 1.4805931063159212
Energy: 1.3060295435482907
Energy: 1.480593106318581
Energy: 1.3996626234416294
Energy: 1.401729550353938
Energy: 1.3597735429980358
Energy: 1.401729550353938
Energy: 1.3996626234416294
Energy: 1.401729550353938
Energy: 1.392085089618862
Energy: 1.4145805872994597
Energy: 1.3216416026983981
Energy: 1.41458058730079
Energy: 1.392085089618862
Energy: 1.41458058730079
Energy: 1.3214776845073537
Energy: 1.5317208251537415
Energy: 1.3664686117216283
Energy: 1.5317208251537415
Energy: 1.3214776845073537
Energy: 1.5317208251537415
Energy: 1.3921685655172846
Energy: 1.4465157309991963
Energy: 1.7870060499194913
Energy: 1.4465157309991963
Energy: 1.3921685655172846
Energy: 1.4465157309991963
Energy: 1.4017411916916411
Energy: 1.5082052169327649
Energy: 1.3587749997982002
Energy: 1.5082052169327649
Energy: 1.4017411916916411
Energy: 1.5082052169314346
Energy: 1.3425330811982157
Energy: 1.390809893023515
Energy: 1.3797035518527776
Energy: 1.3908098930102155
Energy: 1.3425330811995457
Energy: 1.3908098929730073
Energy: 1.3461647994023909
Energy: 1.6042119225849147
Energy: 1.329513181936552
Energy: 1.6042119225835847
Energy: 1.3461647994077106
Energy: 1.6042119225849147
Energy: 1.392536466324059
Energy: 1.6467891658815392
Energy: 1.3744331496503173
Energy: 1.6467891658828693
Energy: 1.392536466324059
Energy: 1.6467891658802092
Energy: 1.354148336909421
Energy: 1.4088284762904528
Energy: 1.369024394318577
Energy: 1.4088284762904528
Energy: 1.354148336909421
Energy: 1.4088284762904528
Energy: 1.3516545254874328
Energy: 1.3802126200105567
Energy: 1.3359130772808148
Energy: 1.3802126200105567
Energy: 1.3516545254874328
Energy: 1.380212619974648
Energy: 1.3647916356841883
Energy: 1.415939870174574
Energy: 1.3477663638398156
Energy: 1.4159398701347061
Energy: 1.3647916356841883
Energy: 1.41593987028094
Energy: 1.3535999394866836
Energy: 1.3878762875035184
Energy: 1.3203119564991166
Energy: 1.387876287492879
Energy: 1.3535999394866836
Energy: 1.3878762875061783
Energy: 1.386825580869934
Energy: 1.4996796815217959
Energy: 1.372631762468441
Energy: 1.499679681520466
Energy: 1.386825580869934
Energy: 1.4996796815217959
Energy: 1.3562954535883844
Energy: 1.516865820748272
Energy: 1.3284558970143963
Energy: 1.5168658207469419
Energy: 1.3562954535883844
Energy: 1.5168658207469419
Energy: 1.3424639690985916
Energy: 1.4063604661989828
Energy: 1.3334148421796186
Energy: 1.4063604645492405
Energy: 1.3424639690985916
Energy: 1.4063604643418894
Energy: 1.418659831047122
Energy: 1.5233263004686055
Energy: 1.3731873589506003
Energy: 1.5233263004672755
Energy: 1.418659831047122
Energy: 1.5233263004686055
Energy: 1.3539425038751505
Energy: 1.4296696004710887
Energy: 1.31481633894002
Energy: 1.4296696004724188
Energy: 1.3539425038751505
Energy: 1.4296696004724188
Energy: 1.380949327671416
Energy: 1.5235226344312132
Energy: 1.359659806320257
Energy: 1.5235226344298831
Energy: 1.380949327671416
Energy: 1.5235226344298831
Energy: 1.3520003055916723
Energy: 1.4019236606538408
Energy: 1.3446444489790201
Energy: 1.4019236606551706
Energy: 1.3520003055916723
Energy: 1.4019236606538408

minimum gb energy = 1.3060295435482907 eV
minimum distance =  2.27264002117867 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.5557485829469575
Energy: 1.4263615631765867
Energy: 1.6174784285147528
Energy: 1.426361562777671
Energy: 1.5557885300271357
Energy: 1.4263615641368943
Energy: 1.498953145788654
Energy: 1.3621283780565707
Energy: 1.3327581284688437
Energy: 1.3621283780621758
Energy: 1.498953145788654
Energy: 1.362128378496965
Energy: 1.3601562246078118
Energy: 1.3896986269716967
Energy: 1.3332266500825707
Energy: 1.3896986269705758
Energy: 1.360156224606691
Energy: 1.3896986269716967
Energy: 1.466154301357089
Energy: 1.5568845703579897
Energy: 1.548926053349169
Energy: 1.5568845703579897
Energy: 1.466154301357089
Energy: 1.5568845703579897
Energy: 1.3307878063309313
Energy: 1.556445610653394
Energy: 1.3796722316633638
Energy: 1.5564456106511522
Energy: 1.3307878063309313
Energy: 1.5564456106511522
Energy: 1.4398157788482493
Energy: 1.436353082653146
Energy: 1.3706407547718242
Energy: 1.4363530826766882
Energy: 1.4398157788482493
Energy: 1.4363530826542672
Energy: 1.357396829073798
Energy: 1.5004392887071494
Energy: 1.3602612219486794
Energy: 1.5004392887049074
Energy: 1.3573968290704348
Energy: 1.5004392887071494
Energy: 1.447912466666479
Energy: 1.5161258781424642
Energy: 1.357638643203464
Energy: 1.5161258781424642
Energy: 1.447912466666479
Energy: 1.5161258781424642
Energy: 1.4879225487403696
Energy: 1.5582446043585678
Energy: 1.392497303722586
Energy: 1.5582446043585678
Energy: 1.4879225496043174
Energy: 1.5582446043585678
Energy: 1.4334870802791821
Energy: 1.6178460512027502
Energy: 1.3690954723441013
Energy: 1.6178460512027502
Energy: 1.4334870802791821
Energy: 1.6178460512027502
Energy: 1.3680202267542718
Energy: 1.3942244525528789
Energy: 1.3946900115411032
Energy: 1.3942244525214893
Energy: 1.3680202267520296
Energy: 1.3942244525528789
Energy: 1.4229283965233317
Energy: 1.5839959138168844
Energy: 1.3910353855591213
Energy: 1.5839959138168844
Energy: 1.4229283965199684
Energy: 1.5839959138168844
Energy: 1.4243495576966512
Energy: 1.6101454472994756
Energy: 1.3655328169101473
Energy: 1.6101454472994756
Energy: 1.4243495576966512
Energy: 1.6101454472994756
Energy: 1.378554704937289
Energy: 1.561569520931838
Energy: 1.3810200530927579
Energy: 1.561569520931838
Energy: 1.378554704937289
Energy: 1.561569520931838
Energy: 1.4431967115181081
Energy: 1.4343655009666996
Energy: 1.3564235751159524
Energy: 1.4343655009655782
Energy: 1.4431967115181081
Energy: 1.4343655009666996
Energy: 1.3144054061942032
Energy: 1.5564456106511522
Energy: 1.3446394012475857
Energy: 1.5564456106511522
Energy: 1.3144054061953243
Energy: 1.5564456106511522
Energy: 1.4651837023534118
Energy: 1.5427335996379552
Energy: 1.3206852404560754
Energy: 1.5427335996390763
Energy: 1.4651837023534118
Energy: 1.5427335996390763
Energy: 1.3461117574444559
Energy: 1.3755542319011258
Energy: 1.351862058217585
Energy: 1.3755542319078522
Energy: 1.346111757443335
Energy: 1.3755542319426046
Energy: 1.4098128153154403
Energy: 1.3415127495808117
Energy: 1.3302609313279732
Energy: 1.3415127260805815
Energy: 1.4098128153154403
Energy: 1.3415127392246466
Energy: 1.5552195990034576
Energy: 1.426361560604922
Energy: 1.575176798111732
Energy: 1.4263615604166617
Energy: 1.5549331692473007
Energy: 1.426361560479415
Energy: 1.498953145788654
Energy: 1.3621283679066025
Energy: 1.3327581284710859
Energy: 1.3621283674998395
Energy: 1.498953145788654
Energy: 1.3621283689274213
Energy: 1.3601562246078118
Energy: 1.3896986269761809
Energy: 1.3332266500814494
Energy: 1.3896986269761809
Energy: 1.360156224606691
Energy: 1.3896986269750602
Energy: 1.466154301357089
Energy: 1.5568845703579897
Energy: 1.548926053349169
Energy: 1.5568845703579897
Energy: 1.466154301357089
Energy: 1.5568845703579897
Energy: 1.3307878063320522
Energy: 1.556445610654515
Energy: 1.3796722316633638
Energy: 1.556445610654515
Energy: 1.3307878063320522
Energy: 1.556445610653394
Energy: 1.4398157788460075
Energy: 1.4363530825825452
Energy: 1.3706407547729453
Energy: 1.436353082562392
Energy: 1.4398157788460075
Energy: 1.4363530825668762

minimum gb energy = 1.3144054061942032 eV
minimum distance =  2.27062774117571 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.7948839245038093
Energy: 1.3920545924367393
Energy: 1.318743415906968
Energy: 1.392054592419321
Energy: 1.7948839245038093
Energy: 1.39205459241158
Energy: 1.2920861675262418
Energy: 1.4645006876589315
Energy: 1.2529460382470592
Energy: 1.4645006876628022
Energy: 1.2920861675330158
Energy: 1.4645006876589315
Energy: 1.2668274090664027
Energy: 1.4922574635329942
Energy: 1.2598662748230771
Energy: 1.4922574635320265
Energy: 1.2668274090664027
Energy: 1.4922574635339616
Energy: 1.4734239766710688
Energy: 1.49088351173287
Energy: 1.3002306652044553
Energy: 1.49088351173287
Energy: 1.4734239766710688
Energy: 1.49088351173287
Energy: 1.2905159730806417
Energy: 1.4693545839140638
Energy: 1.3052597897772427
Energy: 1.4693545839140638
Energy: 1.2905159730806417
Energy: 1.4693545839140638
Energy: 1.3249323623412652
Energy: 1.455974456673265
Energy: 1.296901015206961
Energy: 1.4559744566722976
Energy: 1.3249323652701042
Energy: 1.4559744566722976
Energy: 1.289369753911731
Energy: 1.5301062554873859
Energy: 1.304289945857452
Energy: 1.5301062554883536
Energy: 1.289369753908828
Energy: 1.5301062554864182
Energy: 1.2993608279473983
Energy: 1.445560969986598
Energy: 1.3054000329739008
Energy: 1.445560969987566
Energy: 1.2993608279473983
Energy: 1.4455609699856307
Energy: 1.2899251418054543
Energy: 1.4941330071082175
Energy: 1.3514662837230182
Energy: 1.4941330071082175
Energy: 1.2899251418054543
Energy: 1.4941330071091854
Energy: 1.297912642923867
Energy: 1.3946281842821628
Energy: 1.252898184842647
Energy: 1.3946281842811952
Energy: 1.297912642923867
Energy: 1.3946281842831305
Energy: 1.48473974685933
Energy: 1.5267561457551302
Energy: 1.2992767716892804
Energy: 1.5267561457531948
Energy: 1.4847397468573944
Energy: 1.5267561457531948
Energy: 1.2964233557716642
Energy: 1.551268456429919
Energy: 1.2516144888280607
Energy: 1.551268456429919
Energy: 1.2964233561885588
Energy: 1.551268456429919
Energy: 1.2994619405183432
Energy: 1.5055679992671613
Energy: 1.2538382856920813
Energy: 1.5055681188087124
Energy: 1.299461940519311
Energy: 1.5055680604883248
Energy: 1.3075217491544648
Energy: 1.524476260223888
Energy: 1.3646341993169073
Energy: 1.524476260223888
Energy: 1.3075217491544648
Energy: 1.524476260223888
Energy: 1.2949949135635448
Energy: 1.5046103302730476
Energy: 1.2542010280136013
Energy: 1.5046103302730476
Energy: 1.2949949135635448
Energy: 1.5046103302730476
Energy: 1.28743504916287
Energy: 1.4851472649747055
Energy: 1.255928769317188
Energy: 1.48514726497277
Energy: 1.28743504916287
Energy: 1.4851472649747055
Energy: 1.3039664503944322
Energy: 1.4513506001989898
Energy: 1.2554269503161293
Energy: 1.4513506001999574
Energy: 1.3039664503944322
Energy: 1.4513506001999574
Energy: 1.3011443511381788
Energy: 1.5625980894254718
Energy: 1.2541918230111915
Energy: 1.5625980894254718
Energy: 1.3011443511391463
Energy: 1.5625980894254718
Energy: 1.303440246758304
Energy: 1.4512483562203746
Energy: 1.3473454428878675
Energy: 1.4512483562213423
Energy: 1.303440246758304
Energy: 1.4512483562213423
Energy: 1.2874359119622523
Energy: 1.4868642459336154
Energy: 1.2556522889596804
Energy: 1.4868642459326475
Energy: 1.2874359119622523
Energy: 1.4868642459326475
Energy: 1.2926119519122923
Energy: 1.5014021183473716
Energy: 1.2543274559197963
Energy: 1.5014021183483395
Energy: 1.2926119519122923
Energy: 1.5014021183483395
Energy: 1.3109346206015564
Energy: 1.5244776759290029
Energy: 1.4882130000471259
Energy: 1.5244776759280352
Energy: 1.310934620600589
Energy: 1.5244776759280352
Energy: 1.3169405366678206
Energy: 1.4174272388575266
Energy: 1.254042988081083
Energy: 1.4174272388807507
Energy: 1.3169405366687883
Energy: 1.4174272388613973
Energy: 1.3018157197971305
Energy: 1.5520284417214443
Energy: 1.2514337442408003
Energy: 1.5520284417456365
Energy: 1.3018157197980984
Energy: 1.5520284417214443
Energy: 1.4688768003106694
Energy: 1.5250951521013745
Energy: 1.3022444847834271
Energy: 1.5250951521013745
Energy: 1.4688768003106694
Energy: 1.5250951521013745
Energy: 1.2995401489503149
Energy: 1.3699352085880814
Energy: 1.2527942922216857
Energy: 1.3699352085174847
Energy: 1.2995401489503149
Energy: 1.3699352086422494
Energy: 1.2941738275013883
Energy: 1.493990106726417
Energy: 1.354739266946783
Energy: 1.4939901067273846
Energy: 1.2941738275013883
Energy: 1.4939901067273846
Energy: 1.29660340117762
Energy: 1.4456665750661912
Energy: 1.3068451998294426
Energy: 1.4456665750661912
Energy: 1.29660340117762
Energy: 1.445666575067159
Energy: 1.309547154564286
Energy: 1.5301062554873859
Energy: 1.2964462811575581
Energy: 1.5301062554883536
Energy: 1.3095471545633184
Energy: 1.5301062554883536

minimum gb energy = 1.2514337442408003 eV
minimum distance =  2.25706055285872 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.406565929644981
Energy: 1.5472073359925107
Energy: 1.352774211857098
Energy: 1.5472073359925107
Energy: 1.4065659085619413
Energy: 1.5472073359925107
Energy: 1.2562212169494547
Energy: 1.449068989354919
Energy: 1.244931036392063
Energy: 1.4490689893532178
Energy: 1.2562212169511557
Energy: 1.4490689893600228
Energy: 1.230566705573589
Energy: 1.4872292250254104
Energy: 1.2411731174468232
Energy: 1.487229225026261
Energy: 1.230566705573589
Energy: 1.487229225026261
Energy: 1.2364906788061545
Energy: 1.4427942732987094
Energy: 1.2507599278764934
Energy: 1.4427942732987094
Energy: 1.2364906788078558
Energy: 1.4427942732987094
Energy: 1.21450768000996
Energy: 1.469971306212405
Energy: 1.2252694888716213
Energy: 1.4699713062132553
Energy: 1.2145076800091092
Energy: 1.4699713062115538
Energy: 1.2891347226814835
Energy: 1.4302465781103435
Energy: 1.2949523583418583
Energy: 1.4302465781103435
Energy: 1.2891347226814835
Energy: 1.4302465781103435
Energy: 1.2244493255205657
Energy: 1.510377074253623
Energy: 1.2209048225194736
Energy: 1.510377074251922
Energy: 1.224449325519715
Energy: 1.510377074251922
Energy: 1.2256063016821508
Energy: 1.427533639824612
Energy: 1.2304843977156106
Energy: 1.42753363982206
Energy: 1.2256063016821508
Energy: 1.42753363982206
Energy: 1.2170707587785228
Energy: 1.423806430978079
Energy: 1.2344572251840322
Energy: 1.423806430978079
Energy: 1.2170707587785228
Energy: 1.423806430978079
Energy: 1.2170405885356537
Energy: 1.453703387595137
Energy: 1.2251661372710572
Energy: 1.4537033875781242
Energy: 1.2170405885356537
Energy: 1.4537033875781242
Energy: 1.2529674940286704
Energy: 1.4377558096908696
Energy: 1.300765772503161
Energy: 1.4377558096908696
Energy: 1.2529674940278197
Energy: 1.4377558096908696
Energy: 1.2461258360690999
Energy: 1.527996226363508
Energy: 1.2194541086404946
Energy: 1.5279962263550015
Energy: 1.2461258360690999
Energy: 1.5279962263609561
Energy: 1.2408598156083703
Energy: 1.4333910288131826
Energy: 1.4378801462309554
Energy: 1.4333910288131826
Energy: 1.2408598156083703
Energy: 1.433391028812332
Energy: 1.2627141807668316
Energy: 1.339118034709854
Energy: 1.2653263643702046
Energy: 1.3391180372291749
Energy: 1.2627141807668316
Energy: 1.3391180359435892
Energy: 1.228885783727201
Energy: 1.3369823381724448
Energy: 1.2497836826912876
Energy: 1.3369823227470412
Energy: 1.2288857837280516
Energy: 1.3369823377566756
Energy: 1.2624136606272047
Energy: 1.5197934105363957
Energy: 1.2299245863701755
Energy: 1.5197934105363957
Energy: 1.2624136606425163
Energy: 1.5197934105363957
Energy: 1.220074713464348
Energy: 1.4734019019962448
Energy: 1.2208386007140026
Energy: 1.4734019019962448
Energy: 1.220074713464348
Energy: 1.4734019019962448
Energy: 1.2319092329402839
Energy: 1.3658193647329617
Energy: 1.2171848161387522
Energy: 1.3658193645909824
Energy: 1.2319092329402839
Energy: 1.3658193646640986
Energy: 1.2311379055458658
Energy: 1.4179077573203764
Energy: 1.2816485450830488
Energy: 1.4179077573203764
Energy: 1.2311379055467164
Energy: 1.4179077573203764
Energy: 1.2221112571387605
Energy: 1.535543605449685
Energy: 1.2170997575785871
Energy: 1.535543605449685
Energy: 1.2221112571387605
Energy: 1.535543605449685
Energy: 1.2283697367318436
Energy: 1.3689418141380039
Energy: 1.229020966563204
Energy: 1.3689418141422571
Energy: 1.2283697367335449
Energy: 1.3689418141422571
Energy: 1.4488374838926255
Energy: 1.423649964488115
Energy: 1.2170875815234492
Energy: 1.423649964488115
Energy: 1.4488374838926255
Energy: 1.423649964488115
Energy: 1.227476156413243
Energy: 1.44038050601657
Energy: 1.2143802981921468
Energy: 1.44038050601657
Energy: 1.227476156414055
Energy: 1.44038050601657
Energy: 1.2365147333828717
Energy: 1.4673476651615802
Energy: 1.3709101324092654
Energy: 1.4673476651607296
Energy: 1.236514733382021
Energy: 1.4673476651615802
Energy: 1.2169501425901375
Energy: 1.4211466814792766
Energy: 1.2218693565028305
Energy: 1.421146681478426
Energy: 1.2169501425909879
Energy: 1.4211466814818285
Energy: 1.2586004504062829
Energy: 1.4915147111540903
Energy: 1.240889247737133
Energy: 1.4915147112204012
Energy: 1.2586004504088348
Energy: 1.4915147113649325
Energy: 1.2614845050625367
Energy: 1.2238923016108325
Energy: 1.222657335331712
Energy: 1.2238923128683
Energy: 1.2614845050659391
Energy: 1.2238922876078897
Energy: 1.2560209912343951
Energy: 1.222399903110377
Energy: 1.2228015645945227
Energy: 1.222399903112929
Energy: 1.2560209912343951
Energy: 1.222399903110377
Energy: 1.3339842035815204
Energy: 1.433457042882878
Energy: 1.6516666282292587
Energy: 1.4334570419790744
Energy: 1.3339842035823708
Energy: 1.4334570420079575
Energy: 1.2167996473894798
Energy: 1.3842007585128848
Energy: 1.2244474496906252
Energy: 1.3842007585137357
Energy: 1.2167996473894798
Energy: 1.384200758515437
Energy: 1.2177615878234695
Energy: 1.484200149553342
Energy: 1.2305168355619907
Energy: 1.4842001495524912
Energy: 1.2177615878243204
Energy: 1.4842001495524912
Energy: 1.2400191634598907
Energy: 1.414794497761285
Energy: 1.3083769689174323
Energy: 1.414794497761285
Energy: 1.2400191634598907
Energy: 1.414794497761285
Energy: 1.2144967969577543
Energy: 1.50471589248247
Energy: 1.2244019077168762
Energy: 1.5047158924833206
Energy: 1.2144967969577543
Energy: 1.5047158924799178

minimum gb energy = 1.2143802981921468 eV
minimum distance =  2.26318186483091 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.01494979179971883
Energy: 0.01539322087127304
Energy: 1.53651019502127
Energy: 0.01539322087127304
Energy: 0.014949791799012064
Energy: 0.01539322087127304
Energy: 0.015237018175770053
Energy: 0.6921835281451483
Energy: 0.015237018175063283
Energy: 0.6921835281451483
Energy: 0.015237018175063283
Energy: 0.6921835281451483
Energy: 1.53651019502127
Energy: 0.015393220870566273
Energy: 0.01494979179971883
Energy: 0.015393220870566273
Energy: 1.53651019502127
Energy: 0.015393220870566273
Energy: 0.015237018175063283
Energy: 0.6921835281451483
Energy: 0.015237018175770053
Energy: 0.6921835281451483
Energy: 0.015237018175770053
Energy: 0.6921835281451483

minimum gb energy = 0.014949791799012064 eV
minimum distance =  2.45897522122991 Angstroms
sigma value = 1