Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.518474650382997
cohesive_energy=4.34606645024629
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017749408763839142
Energy: 0.01821260106371867
Energy: 1.1692924185102154
Energy: 0.018212601064380773
Energy: 0.01821260106371867
Energy: 1.2087778932850075
Energy: 0.018212601064380773
Energy: 1.2087778932850075
Energy: 1.1692924185108777
Energy: 0.01821260106371867
Energy: 0.017749408763839142
Energy: 0.01821260106371867
Energy: 0.01821260106305657
Energy: 1.2087778932850075
Energy: 0.01821260106371867
Energy: 1.2087778932850075

minimum gb energy = 0.017749408763839142 eV
minimum distance =  2.36747753111585 Angstroms
sigma value = 1


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

Energy: 1.360295458553967
Energy: 1.3379142468313068
Energy: 1.29795134549673
Energy: 1.3379142468353218
Energy: 1.2929899674734235
Energy: 1.3457000166503967
Energy: 1.2817029213412496
Energy: 1.3457000166536086
Energy: 1.193819291746308
Energy: 1.3116380189341244
Energy: 1.27856728079686
Energy: 1.3116380189349273
Energy: 1.2582270121740187
Energy: 1.341305796049477
Energy: 1.2352391743998916
Energy: 1.3413057960518857
Energy: 1.2611375271331502
Energy: 1.3257102073801879
Energy: 1.2797150829043467
Energy: 1.3257102073850056
Energy: 1.2234286038020206
Energy: 1.3100305314099068
Energy: 1.1948514118863296
Energy: 1.310030531397862
Energy: 1.2860749274464147
Energy: 1.30158032980902
Energy: 1.2459130416769668
Energy: 1.3015803298066113
Energy: 1.1639335955061176
Energy: 1.3245245109085502
Energy: 1.1834614193845199
Energy: 1.3245245109117623
Energy: 1.2270682927617287
Energy: 1.4330607075291144
Energy: 1.2611527246999692
Energy: 1.4330607075242963
Energy: 1.1870577844932375
Energy: 1.3035171853391558
Energy: 1.1488564564195907
Energy: 1.3035171853359437
Energy: 1.2661183333137567
Energy: 1.3213818104229953
Energy: 1.2274315808743306
Energy: 1.3213818104133594
Energy: 1.1949844792939277
Energy: 1.3244023607147848
Energy: 1.2090671587785715
Energy: 1.3244023607139817
Energy: 1.2788243254825875
Energy: 1.3134772667219259
Energy: 1.2851939248229338
Energy: 1.313477266726744
Energy: 1.2843651371881426
Energy: 1.3177090500837365
Energy: 1.2170948128483783
Energy: 1.3177090500869486
Energy: 1.2744089254958715
Energy: 1.3249325525038884
Energy: 1.2620904633560226
Energy: 1.3249325525030857
Energy: 1.2569035918978404
Energy: 1.3370802638662997
Energy: 1.2629715309372287
Energy: 1.3370802638703148
Energy: 1.2933886188503367
Energy: 1.3115134342000985
Energy: 1.194747010330682
Energy: 1.3115134341960837
Energy: 1.2807352544833026
Energy: 1.3127792766305828
Energy: 1.2822730294848916
Energy: 1.3127792766329918
Energy: 1.1855489202168905
Energy: 1.3245511284765887
Energy: 1.2076432891333793
Energy: 1.3245511284814067
Energy: 1.2773369198739877
Energy: 1.3751116792794071
Energy: 1.2589237169615912
Energy: 1.3751116792874372
Energy: 1.1907681099464063
Energy: 1.3015913535695487
Energy: 1.1494995101866272
Energy: 1.3015913535687456
Energy: 1.2260588080613974
Energy: 1.331777864905393
Energy: 1.2530981661018632
Energy: 1.3317778648837122
Energy: 1.2810662634643584
Energy: 1.3274907094158421
Energy: 1.2224157270547118
Energy: 1.327490709414236
Energy: 1.1946787293598153
Energy: 1.3027669330438385
Energy: 1.2235021416692295
Energy: 1.3027669330438385
Energy: 1.226568376504454
Energy: 1.3121192948979394
Energy: 1.2855664254178474
Energy: 1.3121192948923184
Energy: 1.2635588831429843
Energy: 1.324501486255986
Energy: 1.1800958543572613
Energy: 1.3245014862608042
Energy: 1.2592170339903344
Energy: 1.3410408319572487
Energy: 1.22717478766245
Energy: 1.3410408319564455
Energy: 1.1688269972824288
Energy: 1.3136434998951865
Energy: 1.3299372370852716
Energy: 1.3136434998911712
Energy: 1.2815550912030316
Energy: 1.3237356091954464
Energy: 1.2721375392683316
Energy: 1.3237356091978556
Energy: 1.359796067674738
Energy: 1.338625655836915
Energy: 1.2328428664377988
Energy: 1.338625655835309
Energy: 1.2868789883186553
Energy: 1.3279357550955795
Energy: 1.2784952525954263
Energy: 1.3279357550939739
Energy: 1.2194636149075895
Energy: 1.3138714092645964
Energy: 1.2840920417548771
Energy: 1.3138714092766413
Energy: 1.261167645110198
Energy: 1.3439614714672827
Energy: 1.233893978413468
Energy: 1.3439614714656765

minimum gb energy = 1.1488564564195907 eV
minimum distance =  2.20713827148043 Angstroms
sigma value = 1


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

Energy: 1.454091188750381
Energy: 1.428866456259754
Energy: 1.3654437770989918
Energy: 1.4288664562606694
Energy: 1.2824846117781254
Energy: 1.3967579028163346
Energy: 1.3159137445631643
Energy: 1.3967579028145036
Energy: 1.2468654594421908
Energy: 1.4089799072972418
Energy: 1.3306154783016477
Energy: 1.4089799072981573
Energy: 1.2567420699371195
Energy: 1.3189688460009028
Energy: 1.279711478324389
Energy: 1.3189688459935784
Energy: 1.2573287495937664
Energy: 1.3743132514873901
Energy: 1.3069133023023276
Energy: 1.374313251483728
Energy: 1.3183698984540377
Energy: 1.374336550470556
Energy: 1.237976059661043
Energy: 1.3743365504659781
Energy: 1.286304947630673
Energy: 1.3642386029289388
Energy: 1.2770736883784217
Energy: 1.3642386029344322
Energy: 1.1953085263949945
Energy: 1.4096289047794006
Energy: 1.2091777062106752
Energy: 1.4096289047775694
Energy: 1.2320431487022871
Energy: 1.3440929467089722
Energy: 1.3194765055000341
Energy: 1.3440929467071412
Energy: 1.2537082392978292
Energy: 1.4110422671350173
Energy: 1.2367245803027582
Energy: 1.4110422671331864
Energy: 1.2860279206355483
Energy: 1.4146981812439605
Energy: 1.2992825073396856
Energy: 1.414698181234805
Energy: 1.265569908192598
Energy: 1.3897630592550785
Energy: 1.3329927063279936
Energy: 1.3897630592514165
Energy: 1.3450356840920699
Energy: 1.3757579589523918
Energy: 1.2656181163632583
Energy: 1.3757579589487297
Energy: 1.344841822903977
Energy: 1.3643748753378364
Energy: 1.3148793083285377
Energy: 1.3643748753341745
Energy: 1.2360019699331193
Energy: 1.4063171568051276
Energy: 1.3288337608006633
Energy: 1.4063171567941408
Energy: 1.2866286675040681
Energy: 1.3795013225019883
Energy: 1.3180056826328432
Energy: 1.3795013224983261
Energy: 1.2537747250471416
Energy: 1.4111597817087906
Energy: 1.2365821690657894
Energy: 1.4111597817188617
Energy: 1.2644505920740534
Energy: 1.453694591147137
Energy: 1.3184419309152493
Energy: 1.4536945911435164
Energy: 1.19522321404325
Energy: 1.4093530447504163
Energy: 1.2383428520389494
Energy: 1.409353044754994
Energy: 1.2529667603661878
Energy: 1.319394456106546
Energy: 1.2654749700156422
Energy: 1.319394456099222
Energy: 1.2615126322021661
Energy: 1.3735560139928888
Energy: 1.2655212497959658
Energy: 1.3735560139910574
Energy: 1.2568010198238824
Energy: 1.374186988608827
Energy: 1.2293576581940358
Energy: 1.3741869886134048
Energy: 1.2568576850585604
Energy: 1.319142975498628
Energy: 1.2772042350484556
Energy: 1.3191429755032058
Energy: 1.2175080338713449
Energy: 1.4093056424805261
Energy: 1.328555748505592
Energy: 1.4093056424741173
Energy: 1.296859484547167
Energy: 1.4054765009349979
Energy: 1.3315105084532894
Energy: 1.4054765009359136
Energy: 1.4540911887549586
Energy: 1.4288664562570073
Energy: 1.3656549825175917
Energy: 1.428866456259754
Energy: 1.282484611780872
Energy: 1.3967579028099262
Energy: 1.3159137445631643
Energy: 1.3967579028090105
Energy: 1.2468654594467685
Energy: 1.4089799072963263
Energy: 1.3328508719838257
Energy: 1.4089799072954106
Energy: 1.2567420699352885
Energy: 1.3189688459990718
Energy: 1.2671056008571808
Energy: 1.3189688459944942

minimum gb energy = 1.19522321404325 eV
minimum distance =  2.1523494433454 Angstroms
sigma value = 25


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

Energy: 1.322674013406366
Energy: 1.4596597056357583
Energy: 1.355646614122168
Energy: 1.459659705634694
Energy: 1.2774300970902417
Energy: 1.3777435081301093
Energy: 1.2789220569322004
Energy: 1.377743508129045
Energy: 1.3096021628914973
Energy: 1.512470717268133
Energy: 1.2768222332366654
Energy: 1.512470717268133
Energy: 1.259316434493295
Energy: 1.4120571868472076
Energy: 1.2869214333661412
Energy: 1.4120571868440146
Energy: 1.3343977263038802
Energy: 1.4581458047610056
Energy: 1.334474231735081
Energy: 1.4581458047599414
Energy: 1.397823008255574
Energy: 1.5134492849590182
Energy: 1.2775282430200274
Energy: 1.5134492849611467
Energy: 1.279616564848217
Energy: 1.2878042830348295
Energy: 1.3383533895772373
Energy: 1.2878042830369583
Energy: 1.4687495480926798
Energy: 1.4657748958496768
Energy: 1.2640587764455418
Energy: 1.4657748958496768
Energy: 1.3383191849652696
Energy: 1.3894643906530297
Energy: 1.2792623615538234
Energy: 1.3894643906540938
Energy: 1.2797140702830874
Energy: 1.5136142605285332
Energy: 1.2631211800391162
Energy: 1.5136142605285332
Energy: 1.2854402169012902
Energy: 1.4615233641616416
Energy: 1.4071096864442254
Energy: 1.461523364162706
Energy: 1.3351058600228325
Energy: 1.4593315722423184
Energy: 1.279568635987748
Energy: 1.4593315722412543
Energy: 1.2768697964710043
Energy: 1.4117882441138423
Energy: 1.2635231990356621
Energy: 1.4117882441149063
Energy: 1.3372189680797195
Energy: 1.2780829727718415
Energy: 1.2775830822249583
Energy: 1.278082972769713
Energy: 1.3387785071713598
Energy: 1.4592999890876972
Energy: 1.2609858276692327
Energy: 1.4592999890855685
Energy: 1.2775857047875812
Energy: 1.285385708225472
Energy: 1.2876202603128888
Energy: 1.2853857082265365
Energy: 1.2310852187033496
Energy: 1.5125556928178299
Energy: 1.230743726126894
Energy: 1.5125556928188941
Energy: 1.286629269032437
Energy: 1.4572723993888486
Energy: 1.333996986405176
Energy: 1.457272399389913
Energy: 1.2593523162573725
Energy: 1.4121720690153554
Energy: 1.334800368424063
Energy: 1.4121720690153554
Energy: 1.2774132316807683
Energy: 1.5128570114303592
Energy: 1.2766805254631828
Energy: 1.5128570114292945
Energy: 1.3150550846146334
Energy: 1.376734355587584
Energy: 1.2771624029371942
Energy: 1.3767343555886482
Energy: 1.3254364673179566
Energy: 1.4619138160196832
Energy: 1.3743779943485186
Energy: 1.4619138160175544
Energy: 1.2801796823064135
Energy: 1.4036500814657225
Energy: 1.2780976618138564
Energy: 1.4036500814657225
Energy: 1.3087031094029375
Energy: 1.519006857303509
Energy: 1.2798079532118791
Energy: 1.519006857303509
Energy: 1.277684933690472
Energy: 1.4193859610837605
Energy: 1.2887950683102514
Energy: 1.4193859610837605

minimum gb energy = 1.230743726126894 eV
minimum distance =  2.15408586596268 Angstroms
sigma value = 9


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

Energy: 1.3782241466963958
Energy: 1.3770572185924277
Energy: 1.3997772482223718
Energy: 1.377057218594967
Energy: 1.3922123954511576
Energy: 1.4984068972629367
Energy: 1.3947291164340712
Energy: 1.4984068972642066
Energy: 1.2812708324068243
Energy: 1.3854695892750524
Energy: 1.3579811323087876
Energy: 1.3854695892699738
Energy: 1.4108176545564919
Energy: 1.5124767472190173
Energy: 1.3275746883039599
Energy: 1.5124767472113994
Energy: 1.4991169082265086
Energy: 1.4631013537140853
Energy: 1.3843641329216336
Energy: 1.4631013537064674
Energy: 1.2661064330136798
Energy: 1.3859808079004747
Energy: 1.3283280110750917
Energy: 1.3859808078928568
Energy: 1.411290989646464
Energy: 1.3281469073929244
Energy: 1.3292788194633178
Energy: 1.3281469073929244
Energy: 1.3951076321758005
Energy: 1.3863099904118439
Energy: 1.3159730451890657
Energy: 1.3863099904118439
Energy: 1.3767949721033033
Energy: 1.4988557518896473
Energy: 1.381189707534979
Energy: 1.4988557518858383
Energy: 1.3779608516732165
Energy: 1.3776649892488164
Energy: 1.32852017821147
Energy: 1.377664989247547
Energy: 1.331229728042511
Energy: 1.462553547356827
Energy: 1.3579802345276164
Energy: 1.462553547356827
Energy: 1.410400024853554
Energy: 1.3782264471038816
Energy: 1.3280099811307655
Energy: 1.3782264471089603
Energy: 1.2661906248528894
Energy: 1.378606622558643
Energy: 1.305957581464972
Energy: 1.378606622556104
Energy: 1.418830424579411
Energy: 1.3843749342418405
Energy: 1.3810446047511682
Energy: 1.3843749342431102
Energy: 1.2661892078568824
Energy: 1.3781746196120692
Energy: 1.3400127380485545
Energy: 1.3781746196133389
Energy: 1.410920497655996
Energy: 1.3779744500616729
Energy: 1.3279638494067614
Energy: 1.3779744500616729
Energy: 1.3312820379423167
Energy: 1.4625782040051611
Energy: 1.3207005285628028
Energy: 1.4625782040077004
Energy: 1.3779950963060559
Energy: 1.3776812491727548
Energy: 1.3284444017406014
Energy: 1.377681249171485
Energy: 1.3769451804164858
Energy: 1.4988943008812576
Energy: 1.3667622452567982
Energy: 1.498894300883797
Energy: 1.394778376760126
Energy: 1.3861018321356167
Energy: 1.315957209066196
Energy: 1.386101832138156
Energy: 1.4112375385742568
Energy: 1.3278864838551843
Energy: 1.3291793553848377
Energy: 1.3278864838551843

minimum gb energy = 1.2661064330136798 eV
minimum distance =  2.23921982665547 Angstroms
sigma value = 25


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

Energy: 1.4350705960552639
Energy: 1.4604071185748573
Energy: 1.5443113424889787
Energy: 1.4604071185764274
Energy: 1.324936460367566
Energy: 1.4813763825677617
Energy: 1.403745698469547
Energy: 1.481376382569332
Energy: 1.2997779081066734
Energy: 1.6205475846178072
Energy: 1.3661571332331928
Energy: 1.6205475846130972
Energy: 1.3568689509264793
Energy: 1.6022557134387958
Energy: 1.5476272631048786
Energy: 1.602255713441936
Energy: 1.4371835901193246
Energy: 1.458105850066014
Energy: 1.4042647461642521
Energy: 1.4581058500691544
Energy: 1.3687585373312887
Energy: 1.6086722104373896
Energy: 1.30156137227663
Energy: 1.6086722104358195
Energy: 1.4604411790418184
Energy: 1.3886818969997716
Energy: 1.2989148735327642
Energy: 1.388681897006052
Energy: 1.5476076955684015
Energy: 1.5960715687780123
Energy: 1.3552754357705585
Energy: 1.596071568784293
Energy: 1.366588442563053
Energy: 1.483855447925378
Energy: 1.3948558884297717
Energy: 1.483855447925378
Energy: 1.50091310826475
Energy: 1.616542125055641
Energy: 1.3009473596791867
Energy: 1.616542125055641
Energy: 1.360852025351978
Energy: 1.60031783700779
Energy: 1.5711828787536624
Energy: 1.6003178370093605
Energy: 1.2995330085372434
Energy: 1.4806304679930538
Energy: 1.5482403328753336
Energy: 1.4806304679914837
Energy: 1.381640862568723
Energy: 1.6063318287212363
Energy: 1.3667981579489874
Energy: 1.6063318287180959
Energy: 1.3752589209091455
Energy: 1.46474504105857
Energy: 1.3578851175155757
Energy: 1.4647450410538596
Energy: 1.4829824270235232
Energy: 1.4638508776345065
Energy: 1.4571553778148536
Energy: 1.463850877631366
Energy: 1.4083487858051378
Energy: 1.5208652252433539
Energy: 1.3686334099039843
Energy: 1.5208652252496346
Energy: 1.2987150984302294
Energy: 1.4340759999604882
Energy: 1.4997654587781761
Energy: 1.4340759999651986

minimum gb energy = 1.2987150984302294 eV
minimum distance =  2.23146630477651 Angstroms
sigma value = 17


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

Energy: 1.542853767022155
Energy: 1.581102895921902
Energy: 1.6108286156394995
Energy: 1.5811028959236801
Energy: 1.4912029835040745
Energy: 1.47278777777058
Energy: 1.3984278638064278
Energy: 1.472787777767023
Energy: 1.4890281380806718
Energy: 1.447519919066226
Energy: 1.3709855837725355
Energy: 1.4475199190688939
Energy: 1.3393004278176381
Energy: 1.4642172073201205
Energy: 1.466645521404677
Energy: 1.4642172073210096
Energy: 1.6186640944577568
Energy: 1.5871046793030892
Energy: 1.3766566013466695
Energy: 1.5871046793119814
Energy: 1.3992277036643004
Energy: 1.469121236109886
Energy: 1.4730110302926616
Energy: 1.469121236110775
Energy: 1.3777785386259558
Energy: 1.5301155418613896
Energy: 1.4501652685458282
Energy: 1.5301155418693928
Energy: 1.4710643604510747
Energy: 1.4691418405574892
Energy: 1.397050835714322
Energy: 1.4691418405610464
Energy: 1.3681086545319154
Energy: 1.5294329518562817
Energy: 1.5368835395522509
Energy: 1.5294329518536138
Energy: 1.622187415276253
Energy: 1.554292747592364
Energy: 1.337445790480519
Energy: 1.5542927475861392
Energy: 1.3766162387503686
Energy: 1.4630957445117243
Energy: 1.487395643621096
Energy: 1.4630957445081674
Energy: 1.3631314480877055
Energy: 1.4861237453220912
Energy: 1.3659339176632899
Energy: 1.486123745317645
Energy: 1.4757318590835946
Energy: 1.4646328992757174
Energy: 1.4636138376767003
Energy: 1.4646328992650464
Energy: 1.3707348075366534
Energy: 1.555324866032677
Energy: 1.4989741938560852
Energy: 1.555324866032677
Energy: 1.4435517941386495
Energy: 1.4880470385685731
Energy: 1.3645084034579762
Energy: 1.4880470385845797
Energy: 1.4618563721822049
Energy: 1.480136429832012
Energy: 1.4402824419064157
Energy: 1.4801364298337905
Energy: 1.3386331118035115
Energy: 1.5638745920614792
Energy: 1.6333737726419257
Energy: 1.5638745920623685
Energy: 1.5131856060201474
Energy: 1.5570091988830057
Energy: 1.3993735514852306
Energy: 1.5570091988812271
Energy: 1.5101999925101486
Energy: 1.5671469196507493
Energy: 1.4489012302974014
Energy: 1.5671469196445242
Energy: 1.3762517054900432
Energy: 1.4638114504922086
Energy: 1.3404045090485628
Energy: 1.4638114504922086
Energy: 1.4053579125142814
Energy: 1.4478909206544326
Energy: 1.458661627119653
Energy: 1.4478909206615465
Energy: 1.4097507689830522
Energy: 1.5906746043270215
Energy: 1.639633506714961
Energy: 1.5906746043332463
Energy: 1.4561213311621704
Energy: 1.4642977796988885
Energy: 1.3705026064293708
Energy: 1.4642977796962209
Energy: 1.4749850231062436
Energy: 1.568295527283217
Energy: 1.4834325594601034
Energy: 1.5682955272805492
Energy: 1.5347693921634415
Energy: 1.4248758309501757
Energy: 1.4774647748516276
Energy: 1.4248758309501757
Energy: 1.5629827501913232
Energy: 1.4642523084117502
Energy: 1.3723231168174204
Energy: 1.4642523084090826
Energy: 1.3765451882656363
Energy: 1.5922989552544518
Energy: 1.6840083070614051
Energy: 1.592298955258898
Energy: 1.4435199034165398
Energy: 1.4769759558280728
Energy: 1.4582839674162364
Energy: 1.476975955833408
Energy: 1.6228935978358872
Energy: 1.4629907450846962
Energy: 1.3433282287379353
Energy: 1.462990745090921
Energy: 1.3966745646450498
Energy: 1.5128688279242004
Energy: 1.5171781372271806
Energy: 1.5128688279233111

minimum gb energy = 1.337445790480519 eV
minimum distance =  2.1295083565163 Angstroms
sigma value = 53


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

Energy: 1.2632410435650008
Energy: 1.261819351763841
Energy: 1.5534026103518404
Energy: 1.2618193517679352
Energy: 1.5238773407998054
Energy: 1.3766782519656107
Energy: 1.471507224857436
Energy: 1.3766782519656107
Energy: 1.263786479813281
Energy: 1.261719700060968
Energy: 1.4537452457891276
Energy: 1.261719700060968
Energy: 1.2636169329256888
Energy: 1.261911585794314
Energy: 1.4348666614384493
Energy: 1.261911585792267
Energy: 1.5231251345602714
Energy: 1.3768434477657294
Energy: 1.4475904285168797
Energy: 1.3768434477595877
Energy: 1.2632410435629535
Energy: 1.261819351761794
Energy: 1.5533866068722753
Energy: 1.2618193517658884
Energy: 1.5238773408018527
Energy: 1.3766782519635639
Energy: 1.3945520133130382
Energy: 1.3766782519656107
Energy: 1.263786479813281
Energy: 1.261719700060968
Energy: 1.4537452457891276
Energy: 1.2617197000589209
Energy: 1.2636169329277362
Energy: 1.261911585794314
Energy: 1.3740542002586467
Energy: 1.261911585794314
Energy: 1.5231251345623185
Energy: 1.3768434477657294
Energy: 1.4475904301232525
Energy: 1.376843447761635
Energy: 1.2632410435650008
Energy: 1.261819351763841
Energy: 1.6120668825948
Energy: 1.2618193517658884
Energy: 1.5238773407998054
Energy: 1.3766782519656107
Energy: 1.4465788400454536
Energy: 1.376678251967658
Energy: 1.263786479813281
Energy: 1.261719700060968
Energy: 1.4537452457911748
Energy: 1.2617197000630154

minimum gb energy = 1.2617197000589209 eV
minimum distance =  2.20407443431731 Angstroms
sigma value = 9


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

Energy: 1.4300180824680189
Energy: 1.6104896005184222
Energy: 1.6494343881828348
Energy: 1.6104896005100873
Energy: 1.5684998997773887
Energy: 1.4706088634749626
Energy: 1.4032299319421515
Energy: 1.4706088634749626
Energy: 1.3611161042727105
Energy: 1.407067769718717
Energy: 1.378367079029678
Energy: 1.4070677697149285
Energy: 1.496884251828823
Energy: 1.6118795783148219
Energy: 1.3735342363166452
Energy: 1.6118795783117912
Energy: 1.5019425423339001
Energy: 1.4909169211523925
Energy: 1.370862327051266
Energy: 1.4909169211546658
Energy: 1.40722957895034
Energy: 1.4053484015042081
Energy: 1.5013715004197123
Energy: 1.4053484015042081
Energy: 1.7652876784945266
Energy: 1.4813654470510689
Energy: 1.3832396535882017
Energy: 1.4813654470450073
Energy: 1.3744864418954272
Energy: 1.634581591678352
Energy: 1.5184397477964273
Energy: 1.6345815916806252
Energy: 1.3627865508524701
Energy: 1.6396655994480918
Energy: 1.4186103944769781
Energy: 1.6396655994473337
Energy: 1.362239585301721
Energy: 1.463084155155298
Energy: 1.3803942268941876
Energy: 1.4630841551537828
Energy: 1.3762190935794025
Energy: 1.6119843958995774
Energy: 1.7041827496328747
Energy: 1.6119843958973041
Energy: 1.5456812164706564
Energy: 1.6069180014166544
Energy: 1.367033621632526
Energy: 1.606918001420443
Energy: 1.3631263943785359
Energy: 1.5153791800055232
Energy: 1.629093742094658
Energy: 1.5153791800070389
Energy: 1.5009925801837154
Energy: 1.5216305915995345
Energy: 1.4370853219298874
Energy: 1.5216305916040809
Energy: 1.3776093566889043
Energy: 1.570816656578213
Energy: 1.5191706467127146
Energy: 1.5708166565789705
Energy: 1.3673061987331008
Energy: 1.638927342147667
Energy: 1.492822823793776
Energy: 1.6389273421506982
Energy: 1.4600519524932685
Energy: 1.5698744255939687
Energy: 1.377513972717051
Energy: 1.5698744255924535
Energy: 1.3802407812559325
Energy: 1.4815684835134588
Energy: 1.4990524702441546
Energy: 1.481568483514974
Energy: 1.520480481756042
Energy: 1.5141463002077458
Energy: 1.4094166336680292
Energy: 1.514146300212292
Energy: 1.3669972137772066
Energy: 1.4864563512119109
Energy: 1.489520193892385
Energy: 1.4864563512141842
Energy: 1.5047251841759575
Energy: 1.6100418282787767
Energy: 1.4986680352651491
Energy: 1.6100418282825653
Energy: 1.4870828044958966
Energy: 1.5471235283803517
Energy: 1.3622486428513778
Energy: 1.5471235283788363
Energy: 1.418631438182194
Energy: 1.5959088723408528
Energy: 1.3629533825746507
Energy: 1.5959088723378219
Energy: 1.6096419172274112
Energy: 1.4888182018241372
Energy: 1.373823808104982
Energy: 1.4888182018317144
Energy: 1.4067717734301601
Energy: 1.7427986234044313
Energy: 1.682587903728976
Energy: 1.7427986234074624
Energy: 1.4351947497266446
Energy: 1.4066735868901374
Energy: 1.3607050867700239
Energy: 1.406673586888622
Energy: 1.4662998190730043
Energy: 1.5775437167741109
Energy: 1.4968894820643839
Energy: 1.5775437167771416
Energy: 1.4481712787241203
Energy: 1.609589584421582
Energy: 1.4972726431561312
Energy: 1.6095895844208243
Energy: 1.4407366002281208
Energy: 1.4072878598759977
Energy: 1.359902695127996
Energy: 1.4072878598759977
Energy: 1.4079620858302002
Energy: 1.7328601136429302
Energy: 1.6844021399732438
Energy: 1.7328601136421724
Energy: 1.641132150639602
Energy: 1.567851452903676
Energy: 1.3731689077816478
Energy: 1.56785145288246
Energy: 1.4037220632533638
Energy: 1.4840500556206462
Energy: 1.3615300810936892
Energy: 1.4840500556214042
Energy: 1.3752932330900955
Energy: 1.5494418767761826
Energy: 1.361228803443676
Energy: 1.549441876773152
Energy: 1.508675924956565
Energy: 1.6093281223574067
Energy: 1.496700667598634
Energy: 1.6093281223581646
Energy: 1.3711599616505
Energy: 1.6438462407716203
Energy: 1.7607092438676542
Energy: 1.643846240770105

minimum gb energy = 1.359902695127996 eV
minimum distance =  2.16403975616986 Angstroms
sigma value = 73


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

Energy: 1.4256783343406607
Energy: 1.4238479969636457
Energy: 1.7487899150869348
Energy: 1.4238479969612412
Energy: 1.425632504085884
Energy: 1.559436459597605
Energy: 1.380669361631741
Energy: 1.5594364596000094
Energy: 1.3806220960153233
Energy: 1.522166947303748
Energy: 1.373903950176832
Energy: 1.5221669473025456
Energy: 1.3503922271403388
Energy: 1.5628247588496624
Energy: 1.3802611582427593
Energy: 1.5628247588496624
Energy: 1.3496370603555454
Energy: 1.531243433781928
Energy: 1.3493250796062641
Energy: 1.531243433781928
Energy: 1.3817665367365066
Energy: 1.387760520005293
Energy: 1.658348769966291
Energy: 1.387760520005293
Energy: 1.7653463095212882
Energy: 1.7509956409895022
Energy: 1.3810066610217098
Energy: 1.7509956409895022
Energy: 1.3502304971383612
Energy: 1.4230364720096798
Energy: 1.7005364297516485
Energy: 1.4230364720072757
Energy: 1.6734423666999585
Energy: 1.4253738170553647
Energy: 1.4314237604869542
Energy: 1.4253738170541626
Energy: 1.3823642087302148
Energy: 1.4915148819364004
Energy: 1.3822155027719663
Energy: 1.4915148819364004
Energy: 1.3488851881518376
Energy: 1.4255990628953887
Energy: 1.6800390728111732
Energy: 1.4255990628953887
Energy: 1.56190041129091
Energy: 1.5393448139578758
Energy: 1.3508377277687276
Energy: 1.5393448139566737
Energy: 1.3792213658821286
Energy: 1.5159006613260946
Energy: 1.5108825960797931
Energy: 1.5159006613260946
Energy: 1.7521844502858623
Energy: 1.5167937457992413
Energy: 1.3824819181076813
Energy: 1.5167937458004435
Energy: 1.387079290825706
Energy: 1.4746056913366001
Energy: 1.56927271895959
Energy: 1.4746056913366001
Energy: 1.684402044578845
Energy: 1.4238830349624003
Energy: 1.3503570476415538
Energy: 1.4238830349611982
Energy: 1.3809412338639229
Energy: 1.379395006287506
Energy: 1.380624302757624
Energy: 1.3793950062851015
Energy: 1.3791663669680072
Energy: 1.4288215397059567
Energy: 1.3813776837048688
Energy: 1.4288215397071589
Energy: 1.3485508976861222
Energy: 1.4231364242641167
Energy: 1.348378937257639
Energy: 1.4231364242641167
Energy: 1.379949506727704
Energy: 1.4736436402669257
Energy: 1.766160325257002
Energy: 1.4736436402669257
Energy: 1.7486322689508025
Energy: 1.3853668783659445
Energy: 1.3820088386186473
Energy: 1.3853668783647426
Energy: 1.3807515716453718
Energy: 1.5337054906212213
Energy: 1.5120106238584003
Energy: 1.5337054906224235

minimum gb energy = 1.348378937257639 eV
minimum distance =  2.16611475259107 Angstroms
sigma value = 7


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

Energy: 1.469040738831246
Energy: 1.4675659254234903
Energy: 1.6669923765542716
Energy: 1.46756592541924
Energy: 1.5533195699850828
Energy: 1.4312567315357472
Energy: 1.4051841238101317
Energy: 1.4312567315348972
Energy: 1.3793423507866678
Energy: 1.4675383741307322
Energy: 1.4047541084834665
Energy: 1.467538374127332
Energy: 1.3960378523045542
Energy: 1.5603349347208757
Energy: 1.4051167992740874
Energy: 1.5603349347140751
Energy: 1.3800014970072079
Energy: 1.5124913909648303
Energy: 1.4045546756170124
Energy: 1.5124913909682307
Energy: 1.3785298453643007
Energy: 1.4690160453120464
Energy: 1.6468107075573502
Energy: 1.4690160453281975
Energy: 1.5764364231328905
Energy: 1.579554313242793
Energy: 1.4057230681312494
Energy: 1.5795543132266416
Energy: 1.3785014829714908
Energy: 1.4688501361800372
Energy: 1.7420458781279247
Energy: 1.4688501361698365
Energy: 1.5485129291146729
Energy: 1.5145989514373568
Energy: 1.4020952527773345
Energy: 1.5145989514382068
Energy: 1.3804819453205381
Energy: 1.5429281615561394
Energy: 1.5385043059416446
Energy: 1.5429281615493389
Energy: 1.4019547547430737
Energy: 1.425009444831478
Energy: 1.4035019202742007
Energy: 1.4250094448306276
Energy: 1.4297517875804282
Energy: 1.5128005169793375
Energy: 1.4016129247746345
Energy: 1.5128005169776375
Energy: 1.4252561298131057
Energy: 1.4252226307905835
Energy: 1.4039203574558246
Energy: 1.4252226307939837
Energy: 1.4116066300099614
Energy: 1.4504499976048655
Energy: 1.4004111173086822
Energy: 1.450449997609966
Energy: 1.3805541103018326
Energy: 1.6734100635045246
Energy: 1.5860423256177005
Energy: 1.6734100635053746
Energy: 1.763720006579131
Energy: 1.44951218757468
Energy: 1.400940420359749
Energy: 1.4495121875678791
Energy: 1.3805120241776003
Energy: 1.513883514946013
Energy: 1.555958088469528
Energy: 1.513883514946013
Energy: 1.402153037061269
Energy: 1.5064680677957045
Energy: 1.401272808082903
Energy: 1.5064680678076057
Energy: 1.3810268543151156
Energy: 1.5324545206640292
Energy: 1.4032685070632513
Energy: 1.5324545206572286
Energy: 1.380437910307215
Energy: 1.512410224530707
Energy: 1.4018951883427513
Energy: 1.5124102245417574
Energy: 1.4043554130472762
Energy: 1.428781420851596
Energy: 1.4023477593502907
Energy: 1.4287814208558463
Energy: 1.3796889888651824
Energy: 1.4689757458599622
Energy: 1.5446513375532225
Energy: 1.4689757458608121
Energy: 1.68640774003092
Energy: 1.514565774043935
Energy: 1.4047050183676166
Energy: 1.5145657740583862
Energy: 1.4698814538873635
Energy: 1.4688572571095064
Energy: 1.6456401036413064
Energy: 1.4688572571120182
Energy: 1.4325834291258666
Energy: 1.5130170466389223
Energy: 1.4014408490309627
Energy: 1.5130170466414725
Energy: 1.3963579060457012
Energy: 1.4239114996101916
Energy: 1.4082964368183775
Energy: 1.4239114996084916
Energy: 1.38017747705948
Energy: 1.5444357274344231
Energy: 1.4017513870290281
Energy: 1.5444357274395237
Energy: 1.396245186193269
Energy: 1.5131034588151584
Energy: 1.4047984863415794
Energy: 1.513103458799007
Energy: 1.3777312395608634
Energy: 1.4685288203824445
Energy: 1.5339910874240816
Energy: 1.4685288203875446
Energy: 1.4924746896434935
Energy: 1.4376362059722216
Energy: 1.405067441431773
Energy: 1.4376362059756216
Energy: 1.3776842413262829
Energy: 1.468847369593939
Energy: 1.6115311612419863
Energy: 1.468847369591389

minimum gb energy = 1.3776842413262829 eV
minimum distance =  2.15765148177126 Angstroms
sigma value = 29


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

Energy: 1.3605863714890494
Energy: 1.3265791641172928
Energy: 1.4517117510324435
Energy: 1.3265791641190363
Energy: 1.293277091003867
Energy: 1.3567418779952996
Energy: 1.35409915891287
Energy: 1.3567418779938518
Energy: 1.3072455109565788
Energy: 1.463705983977764
Energy: 1.386885901300552
Energy: 1.4637059839789153
Energy: 1.354082212262943
Energy: 1.2927202418784578
Energy: 1.3538422666144865
Energy: 1.2927202418752664
Energy: 1.3583918584277128
Energy: 1.413805540239825
Energy: 1.387938737752421
Energy: 1.4138055402395289
Energy: 1.3006591178445548
Energy: 1.4538329030538697
Energy: 1.300653426498767
Energy: 1.4538329030536066
Energy: 1.30709147666681
Energy: 1.4138658981613743
Energy: 1.357821040995267
Energy: 1.4138658981613743
Energy: 1.3538828829301006
Energy: 1.2929759595278627
Energy: 1.35410748199461
Energy: 1.2929759595278627
Energy: 1.3870048696613582
Energy: 1.4637114332035173
Energy: 1.2971979885303948
Energy: 1.4637114332064125

minimum gb energy = 1.2927202418752664 eV
minimum distance =  2.1854518197512 Angstroms
sigma value = 5


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

Energy: 1.3416116117849615
Energy: 1.390855018489637
Energy: 1.50522584394896
Energy: 1.390855018489637
Energy: 1.4370943600017672
Energy: 1.4381764540537132
Energy: 1.2747514042132049
Energy: 1.4381764540521074
Energy: 1.2780562742371109
Energy: 1.3731234811962774
Energy: 1.5016686487139095
Energy: 1.3731234811938684
Energy: 1.27146039654691
Energy: 1.4227826176350975
Energy: 1.2983162815703124
Energy: 1.4227826176342946
Energy: 1.301896946569954
Energy: 1.437296638049135
Energy: 1.4442437270838868
Energy: 1.437296638049135
Energy: 1.3711015492330723
Energy: 1.3945519923163887
Energy: 1.2744163163817266
Energy: 1.3945519923163887
Energy: 1.277807365201031
Energy: 1.43839949047549
Energy: 1.2794276076907647
Energy: 1.4383994904730808
Energy: 1.2754295645950156
Energy: 1.3968896217258533
Energy: 1.275796023583005
Energy: 1.3968896217266562
Energy: 1.3021210943961343
Energy: 1.43845279098575
Energy: 1.2695716297166735
Energy: 1.4384527909889622
Energy: 1.2991044369409508
Energy: 1.438597381657338
Energy: 1.2690744248607493
Energy: 1.438597381657338
Energy: 1.2743115974166155
Energy: 1.3973496917147754
Energy: 1.2762733648936322
Energy: 1.3973496917131694
Energy: 1.2774952829877428
Energy: 1.4690388153635898
Energy: 1.4010849206586398
Energy: 1.469038815361984
Energy: 1.373646017806208
Energy: 1.392816270438925
Energy: 1.3815851962508405
Energy: 1.392816270441334
Energy: 1.3022467321094313
Energy: 1.3911572416871247
Energy: 1.3516743676868446
Energy: 1.3911572416895337
Energy: 1.4861526331644963
Energy: 1.4251948177634377
Energy: 1.2763774453478995
Energy: 1.4251948177626346
Energy: 1.3014882026446832
Energy: 1.3736007155194412
Energy: 1.3259889074796216
Energy: 1.3736007155162293
Energy: 1.4370796629832423
Energy: 1.3447788495784503
Energy: 1.2766093988388996
Energy: 1.3447788495752384
Energy: 1.302826273127567
Energy: 1.3915404522026737
Energy: 1.4905204378752122
Energy: 1.3915404522050827
Energy: 1.2857189961757833
Energy: 1.4384136568619508
Energy: 1.2737564693352987
Energy: 1.4384136568611476
Energy: 1.278225028792094
Energy: 1.4627997643977835
Energy: 1.3422879193755026
Energy: 1.4627997643977835
Energy: 1.2695602374602688
Energy: 1.4213179841107437
Energy: 1.2977248793050953
Energy: 1.42131798411235
Energy: 1.3028156671588114
Energy: 1.437361518039061
Energy: 1.3061445901456903
Energy: 1.4373615180366521
Energy: 1.275765123597208
Energy: 1.3970196153441834
Energy: 1.2689161078280946
Energy: 1.3970196153449865
Energy: 1.4111756373755977
Energy: 1.3887785946576732
Energy: 1.2784293476293862
Energy: 1.3887785946584763
Energy: 1.39760749903609
Energy: 1.3627826934275733
Energy: 1.2756471624399912
Energy: 1.3627826934299825
Energy: 1.3547743643158054
Energy: 1.3915838300775498
Energy: 1.3025170190896087
Energy: 1.3915838300775498
Energy: 1.2857978576726095
Energy: 1.4113562151652692
Energy: 1.3344952310137792
Energy: 1.411356215164466
Energy: 1.3865678275376152
Energy: 1.4099060583436156
Energy: 1.3014689874813516
Energy: 1.4099060583436156
Energy: 1.2758934892147762
Energy: 1.3133212890880277
Energy: 1.4534957981554475
Energy: 1.3133212890896337
Energy: 1.4292506698294973
Energy: 1.3916005497671766
Energy: 1.3027786463649047
Energy: 1.3916005497703885
Energy: 1.286069736810462
Energy: 1.3340130255627556
Energy: 1.429943605653362
Energy: 1.3340130255627556
Energy: 1.43700652288386
Energy: 1.4276010165594082
Energy: 1.2774720899328433
Energy: 1.4276010165569992
Energy: 1.3001032860433197
Energy: 1.4244906548678613
Energy: 1.27493425269841
Energy: 1.4244906548509986

minimum gb energy = 1.2689161078280946 eV
minimum distance =  2.19051614405665 Angstroms
sigma value = 1


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

Energy: 1.3308789203916698
Energy: 1.3295531409842434
Energy: 1.2958949095843633
Energy: 1.3295531409875743
Energy: 1.312517003427218
Energy: 1.391984076415055
Energy: 1.235662802779729
Energy: 1.3919840764161653
Energy: 1.203444930814794
Energy: 1.32996593555239
Energy: 1.632399791732535
Energy: 1.3299659355546105
Energy: 1.2650637762697694
Energy: 1.3931077736195228
Energy: 1.2356573756989848
Energy: 1.3931077736228534
Energy: 1.2043575624264817
Energy: 1.4584466844003436
Energy: 1.4300114154206827
Energy: 1.4584466844036748
Energy: 1.2042473701944802
Energy: 1.386140837747304
Energy: 1.2357564423020244
Energy: 1.386140837742863
Energy: 1.2037867318493047
Energy: 1.4606457551920855
Energy: 1.2958916684371082
Energy: 1.4606457551965264
Energy: 1.2045159789123892
Energy: 1.3385304414803645
Energy: 1.2942482865699247
Energy: 1.3385304414814747
Energy: 1.33189834467341
Energy: 1.3166243903043517
Energy: 1.3150192684374582
Energy: 1.3166243902988004
Energy: 1.3313686210297182
Energy: 1.3166329437904072
Energy: 1.268214089909168
Energy: 1.316632943789297
Energy: 1.2043090589587973
Energy: 1.338423835809886
Energy: 1.3125267943044387
Energy: 1.3384238358087759
Energy: 1.203764527347129
Energy: 1.4605264851421438
Energy: 1.281212787660325
Energy: 1.4605264851354824
Energy: 1.204341995190382
Energy: 1.3859180411770307
Energy: 1.2358430242550222
Energy: 1.3859180411770307
Energy: 1.2038596182799786
Energy: 1.4581504853974623
Energy: 1.3324155364007932
Energy: 1.4581504853985725
Energy: 1.26505990710529
Energy: 1.3928862416844012
Energy: 1.235715139222215
Energy: 1.392886241691063
Energy: 1.2034381805053245
Energy: 1.3301417195666712
Energy: 1.3938507228053434
Energy: 1.33014171956334
Energy: 1.3126120927442815
Energy: 1.3919098825021121
Energy: 1.2356246882789985
Energy: 1.391909882501002
Energy: 1.3308789203916698
Energy: 1.3295531409842434
Energy: 1.49077346576835
Energy: 1.329553140986464
Energy: 1.3125170034161153
Energy: 1.391984076415055
Energy: 1.235662802779729
Energy: 1.3919840764161653
Energy: 1.203444930814794
Energy: 1.3299659355490592
Energy: 1.6323997917336452
Energy: 1.3299659355557207
Energy: 1.2650637762742107
Energy: 1.393107773620633
Energy: 1.235657375700095
Energy: 1.3931077736217434
Energy: 1.2043575624275917
Energy: 1.4584466844014539
Energy: 1.4300114154217929
Energy: 1.4584466844036748
Energy: 1.2042473701944802
Energy: 1.3861408377484141
Energy: 1.2357564423020244
Energy: 1.3861408377439732
Energy: 1.2037867318481945
Energy: 1.4606457551920855
Energy: 1.2685595041063458
Energy: 1.4606457551965264

minimum gb energy = 1.2034381805053245 eV
minimum distance =  2.18089695592721 Angstroms
sigma value = 17


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

Energy: 1.4111855522992662
Energy: 1.3092726023917978
Energy: 1.477330105963899
Energy: 1.309272602383563
Energy: 1.4613359213843902
Energy: 1.2663221322698621
Energy: 1.2367143636315527
Energy: 1.2663221322595686
Energy: 1.24425061702943
Energy: 1.296598097266562
Energy: 1.4938400556863745
Energy: 1.2965980972631306
Energy: 1.3453050815439058
Energy: 1.253391592673866
Energy: 1.2558668905606882
Energy: 1.253391592676611
Energy: 1.2252658693010885
Energy: 1.4007626176283332
Energy: 1.5283908417093148
Energy: 1.400762617633823
Energy: 1.2146998457653773
Energy: 1.2583031121578108
Energy: 1.2824719236103905
Energy: 1.258303112155752
Energy: 1.240509648091989
Energy: 1.364428328572344
Energy: 1.355401649134567
Energy: 1.364428328560054
Energy: 1.2244037299225186
Energy: 1.3479999606570483
Energy: 1.2258875696910776
Energy: 1.3479999606632245
Energy: 1.3808345909946553
Energy: 1.3362398457761284
Energy: 1.2775257344619204
Energy: 1.3362398457672073
Energy: 1.3779934147404793
Energy: 1.3401244146975209
Energy: 1.239873020026797
Energy: 1.3401244146968345
Energy: 1.265100092836564
Energy: 1.303122301015704
Energy: 1.2208741103996192
Energy: 1.3031223010129591
Energy: 1.2681332580111557
Energy: 1.352771707791244
Energy: 1.2551597412153892
Energy: 1.3527717077953618
Energy: 1.2178618431617443
Energy: 1.3297484929327774
Energy: 1.240514067518865
Energy: 1.3297484929238563
Energy: 1.2255868266110297
Energy: 1.3993737355478555
Energy: 1.3867458550476615
Energy: 1.3993737355464833
Energy: 1.2200588413689932
Energy: 1.3357438368192305
Energy: 1.327305182807377
Energy: 1.3357438368212893
Energy: 1.2401061795318542
Energy: 1.2955498203239788
Energy: 1.4598828700709792
Energy: 1.2955498203363305
Energy: 1.312665608236187
Energy: 1.2426664259582696
Energy: 1.240183979712251
Energy: 1.2426664259548383
Energy: 1.252566270586013
Energy: 1.3166361874843822
Energy: 1.3385265908069215
Energy: 1.316636187474775
Energy: 1.4388924780269616
Energy: 1.457090723920571
Energy: 1.2388227405553214
Energy: 1.4570907239061603
Energy: 1.27891439325825
Energy: 1.2854695377651406
Energy: 1.4253067689003485
Energy: 1.2854695377617096
Energy: 1.4546562306578403
Energy: 1.273696555873214
Energy: 1.2318829627916454
Energy: 1.2736965558690965
Energy: 1.231672463658198
Energy: 1.3168587226063782
Energy: 1.2485208013261477
Energy: 1.3168587225933395
Energy: 1.2626906406974578
Energy: 1.253727806222218
Energy: 1.280240571239979
Energy: 1.2537278063305801
Energy: 1.2392578550632993
Energy: 1.3765270279778965
Energy: 1.4591902252369304
Energy: 1.376527027984759
Energy: 1.268921978731489
Energy: 1.3168374134340877
Energy: 1.2538114813369772
Energy: 1.3168374134279117
Energy: 1.2410724742788128
Energy: 1.3967033654891565
Energy: 1.3239438676301327
Energy: 1.3967033654953327
Energy: 1.3948473448667311
Energy: 1.327742967759524
Energy: 1.2404654807721445
Energy: 1.3277429677636414
Energy: 1.4004480549997855
Energy: 1.2444510781043516
Energy: 1.2203814421494508
Energy: 1.2444510780981755
Energy: 1.4073234006113011
Energy: 1.3980319022559606
Energy: 1.226607737820151
Energy: 1.3980319022587055
Energy: 1.2412163986828837
Energy: 1.3247619965202706
Energy: 1.2745250380873645
Energy: 1.3247619965168396
Energy: 1.2523322994898134
Energy: 1.3978012131350386
Energy: 1.272085588275359
Energy: 1.397801213144646
Energy: 1.2202225898023595
Energy: 1.301987111767577
Energy: 1.2615139662320953
Energy: 1.3019871116386281
Energy: 1.2403117167663578
Energy: 1.3341904109674376
Energy: 1.4175032263786935
Energy: 1.3341904109701825
Energy: 1.2885536269553801
Energy: 1.364908607532255
Energy: 1.2880720231925857
Energy: 1.3649086075226475
Energy: 1.225387852786082
Energy: 1.3176506205846406
Energy: 1.256795596469922
Energy: 1.3176506205853267
Energy: 1.3551213878833597
Energy: 1.3757353120560862
Energy: 1.238858124348786
Energy: 1.3757353120458549
Energy: 1.2802050428449847
Energy: 1.7225389516227017
Energy: 1.2157347963177867
Energy: 1.7225389516213292
Energy: 1.26964140792194
Energy: 1.4868486628508806
Energy: 1.232259832836456
Energy: 1.4868486628543118

minimum gb energy = 1.2146998457653773 eV
minimum distance =  2.17198760547997 Angstroms
sigma value = 89


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

Energy: 1.4190944297426615
Energy: 1.195907292412562
Energy: 1.3857513249162463
Energy: 1.1959072924107665
Energy: 1.3438883381512112
Energy: 1.1964637334225896
Energy: 1.1519144876919267
Energy: 1.1964637334225896
Energy: 1.2037588448361023
Energy: 1.3808844108986789
Energy: 1.5699844622905987
Energy: 1.3808844108986789
Energy: 1.2299326071820145
Energy: 1.256172858501692
Energy: 1.220580899279599
Energy: 1.256172858501692
Energy: 1.1524089791489207
Energy: 1.2647408130872875
Energy: 1.3125656691246077
Energy: 1.2647408130836963
Energy: 1.153696695660874
Energy: 1.1526958138371874
Energy: 1.155463573418358
Energy: 1.1526958138371874
Energy: 1.179094799958417
Energy: 1.3821280754293894
Energy: 1.1548351553463663
Energy: 1.382128075427594
Energy: 1.1653754434789723
Energy: 1.3799529606328893
Energy: 1.2016815306638375
Energy: 1.3799529606310939
Energy: 1.1973572339218785
Energy: 1.2683999576180967
Energy: 1.2904479497181585
Energy: 1.2683999576145055
Energy: 1.2564887173800652
Energy: 1.2638282886985648
Energy: 1.1535167962439132
Energy: 1.2638282886985648
Energy: 1.3561923145877268
Energy: 1.2006117985550544
Energy: 1.152699121461834
Energy: 1.2006117985568499
Energy: 1.3577293650018303
Energy: 1.3847270855470424
Energy: 1.1669613520919018
Energy: 1.3847270855470424
Energy: 1.1976294311437443
Energy: 1.154808941403657
Energy: 1.1632970127453026
Energy: 1.1548089414054525
Energy: 1.1964186224048121
Energy: 1.2652489947108423
Energy: 1.1960232229246965
Energy: 1.2652489947108423
Energy: 1.1415759019046503
Energy: 1.1547538868024947
Energy: 1.198568472647465
Energy: 1.1547538868042906

minimum gb energy = 1.1415759019046503 eV
minimum distance =  2.19736161778018 Angstroms
sigma value = 13


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

Energy: 1.1649680899500343
Energy: 1.1169702621419582
Energy: 1.396508928715103
Energy: 1.1169702621419582
Energy: 1.2793956648300082
Energy: 1.150613328387293
Energy: 1.1018129327302952
Energy: 1.1506133283955715
Energy: 1.1188653509353683
Energy: 1.1182196765197714
Energy: 1.6133014826167407
Energy: 1.1182196765107404
Energy: 1.114387756051427
Energy: 1.1507795933134615
Energy: 1.09790043838423
Energy: 1.1507795933187295
Energy: 1.1190610578173177
Energy: 1.2047192314999209
Energy: 1.1254268333654525
Energy: 1.2047192315014263
Energy: 1.1067696127102897
Energy: 1.1509675887189914
Energy: 1.1339040520261354
Energy: 1.1509675887122184
Energy: 1.1190687543993314
Energy: 1.2086923897189419
Energy: 1.3860427429737103
Energy: 1.208692389681313
Energy: 1.0900680669525042
Energy: 1.1510447795386984
Energy: 1.133896201257426
Energy: 1.151044779528915
Energy: 1.1189584373727501
Energy: 1.2077150383335484
Energy: 1.3085486538350155
Energy: 1.2077150383222597
Energy: 1.2848064289634615
Energy: 1.1501511391738524
Energy: 1.0980303706874535
Energy: 1.1501511391926666
Energy: 1.1204305244395907
Energy: 1.2333888299110816
Energy: 1.1059644843039171
Energy: 1.2333888299216176
Energy: 1.3859068459186275
Energy: 1.2329628970929374
Energy: 1.0991363977443966
Energy: 1.2329628970741917
Energy: 1.17314360126043
Energy: 1.1400763025070444
Energy: 1.1067383232216468
Energy: 1.14007630251156
Energy: 1.3791296160322866
Energy: 1.2334862942440532
Energy: 1.0992966327897518
Energy: 1.233486294250074
Energy: 1.119536079255096
Energy: 1.1167907918983704
Energy: 1.106735257705502
Energy: 1.1167907919066486
Energy: 1.11128836756506
Energy: 1.233308014945801
Energy: 1.100978559800706
Energy: 1.2333080149593472
Energy: 1.1111363613297418
Energy: 1.1161284432655532
Energy: 1.1019974659491256
Energy: 1.1161284432775946
Energy: 1.112177349449393
Energy: 1.203970369849821
Energy: 1.129391724456767
Energy: 1.203970369846058
Energy: 1.1119649126543798
Energy: 1.2055091345755997
Energy: 1.1297060192826947
Energy: 1.2055091345567857
Energy: 1.1118077615941666
Energy: 1.205329712792058
Energy: 1.129373797371293
Energy: 1.2053297127995837
Energy: 1.1121236600301754
Energy: 1.2040876779713392
Energy: 1.1293811612682032
Energy: 1.204087677963061
Energy: 1.1118400646086561
Energy: 1.1158005845224077
Energy: 1.1016729119886592
Energy: 1.115800584518645
Energy: 1.11074237977109
Energy: 1.2328382983916097
Energy: 1.1005537620779127
Energy: 1.2328382983833315
Energy: 1.1200155545286974
Energy: 1.1168743699573518
Energy: 1.1055412656884764
Energy: 1.1168743699543415
Energy: 1.379164650438074
Energy: 1.233663093708893
Energy: 1.0991802595562095
Energy: 1.233663093696852
Energy: 1.1731320684371866
Energy: 1.140135963575329
Energy: 1.1013538270328005
Energy: 1.1401359635790917
Energy: 1.3856273524153093
Energy: 1.232732117125065
Energy: 1.0991245062070316
Energy: 1.2327321171295804
Energy: 1.120364884010951
Energy: 1.2333727735855164
Energy: 1.1019201925163136
Energy: 1.2333727735892794
Energy: 1.284813455993691
Energy: 1.149980828524831
Energy: 1.097985938139615
Energy: 1.1499808285188104
Energy: 1.1197868570003526
Energy: 1.207796388493022
Energy: 1.2471041529963112
Energy: 1.2077963885095786
Energy: 1.0900443699755042
Energy: 1.1509446628492477
Energy: 1.1339396051520565
Energy: 1.1509446628552684
Energy: 1.119710933170754
Energy: 1.208775529796574
Energy: 1.3833716529723643
Energy: 1.2087755297183065
Energy: 1.1069344740583338
Energy: 1.1510161146975646
Energy: 1.1338570762930014
Energy: 1.1510161147035853
Energy: 1.1193420183231335
Energy: 1.2045500997919891
Energy: 1.3999141206593313
Energy: 1.204550099795752
Energy: 1.1147015356822798
Energy: 1.1506451806849582
Energy: 1.0978836017387348
Energy: 1.1506451806857112

minimum gb energy = 1.0900443699755042 eV
minimum distance =  2.21227399408358 Angstroms
sigma value = 37


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

Energy: 1.0748055019192526
Energy: 1.0733861190131162
Energy: 1.043282984834587
Energy: 1.0733861190131162
Energy: 1.0559561237084556
Energy: 1.073228364863571
Energy: 1.0188887710856955
Energy: 1.073228364863571
Energy: 1.008511387140126
Energy: 1.10992355938023
Energy: 1.0040455046807364
Energy: 1.10992355938023
Energy: 1.0088007419231035
Energy: 1.072789338900147
Energy: 1.0188133295158999
Energy: 1.072789338900147
Energy: 1.0170931228611664
Energy: 1.0730101256443625
Energy: 1.043859969765396
Energy: 1.0730101256456572
Energy: 1.004391903575884
Energy: 1.0732945098213822
Energy: 1.0124028176568876
Energy: 1.0732945098213822
Energy: 1.0295893028109748
Energy: 1.6778893013262444
Energy: 1.2633767482410954
Energy: 1.6778893013236549
Energy: 1.0088999747634408
Energy: 1.074275995153971
Energy: 1.0764387907742188
Energy: 1.074275995153971
Energy: 1.0171441316006278
Energy: 1.0731892281149245
Energy: 1.2658976750445554
Energy: 1.0731892281136297
Energy: 1.4323787012900868
Energy: 1.1950322963578883
Energy: 1.0124310037605002
Energy: 1.1950322963578883
Energy: 1.0291552402822923
Energy: 1.6694400032088552
Energy: 1.0087006775274554
Energy: 1.66944000321015
Energy: 1.3364638957421555
Energy: 1.073356200911073
Energy: 1.0188352272507721
Energy: 1.073356200911073
Energy: 1.008183101481353
Energy: 1.0734659707458007
Energy: 1.0038562655322159
Energy: 1.0734659707458007
Energy: 1.2638003264792084
Energy: 1.1320006836516827
Energy: 1.0092388388544145
Energy: 1.132000683649093
Energy: 1.0726124276255067
Energy: 1.1324331221715402
Energy: 1.0091989281399762
Energy: 1.1324331221715402
Energy: 1.0741002131751098
Energy: 1.0733820710161424
Energy: 1.0190344812616534
Energy: 1.0733820710161424
Energy: 1.0081661476504082
Energy: 1.1964547562566263
Energy: 1.01263876155516
Energy: 1.1964547562553316
Energy: 1.0091660265812716
Energy: 1.6695163446186991
Energy: 1.0093150012216203
Energy: 1.6695163446199939
Energy: 1.0296608600707204
Energy: 1.0746228291382258
Energy: 1.0089484995051183
Energy: 1.0746228291408153
Energy: 1.0092172415067142
Energy: 1.0735073270295281
Energy: 1.008355285299751
Energy: 1.0735073270295281

minimum gb energy = 1.0038562655322159 eV
minimum distance =  2.21759706969288 Angstroms
sigma value = 25


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

Energy: 1.1241034336235978
Energy: 0.9629916889622672
Energy: 0.9158038164148007
Energy: 0.9629916889622672
Energy: 1.418191131490985
Energy: 0.9664298930319702
Energy: 0.9433174272707602
Energy: 0.9664298929834397
Energy: 1.053592022215923
Energy: 0.9571148090906846
Energy: 0.9424132128558547
Energy: 0.9571148090906846
Energy: 1.2146573507337997
Energy: 0.989204843693169
Energy: 0.9493103616688456
Energy: 0.9892048436921579
Energy: 0.9601255096661447
Energy: 0.9667652348442916
Energy: 0.9487449754195515
Energy: 0.9667652348432806
Energy: 1.0117018271286033
Energy: 0.9571636711596095
Energy: 0.9620083067790329
Energy: 0.9571636711535432
Energy: 0.9450049593343333
Energy: 0.9377795359174138
Energy: 1.2144395309403857
Energy: 0.9377795359123585
Energy: 0.9191787535817877
Energy: 1.001929822511101
Energy: 1.0550656390877695
Energy: 1.0019298225070568
Energy: 0.9423295247750341
Energy: 0.9755623618459239
Energy: 1.399679694387996
Energy: 0.975562361868167
Energy: 0.9063115706677137
Energy: 0.9380351170974305
Energy: 1.0046846981541444
Energy: 0.9380351171014749
Energy: 0.9447918809197395
Energy: 0.937728371808321
Energy: 1.3162999790059478
Energy: 0.937728371806299
Energy: 1.2577111147486983
Energy: 1.0015973661781286
Energy: 1.05510893664585
Energy: 1.0015973648098078
Energy: 0.9512933277235682
Energy: 0.9890803686244121
Energy: 1.2141011762126732
Energy: 0.9890803686304325
Energy: 1.2348552237065122
Energy: 0.9375286742265331
Energy: 0.9616418642180271
Energy: 0.9375286742315883
Energy: 0.9603269911368515
Energy: 0.9378542440527626
Energy: 1.0111678117470144
Energy: 0.9378542440578179
Energy: 1.3039888086880524
Energy: 1.1003709396651913
Energy: 0.9434933455467814
Energy: 1.10037093967328
Energy: 1.057967451548001
Energy: 1.0020570818493872
Energy: 1.009625697299638
Energy: 1.0020570818514092
Energy: 1.2646716726517386
Energy: 0.9672565396440994
Energy: 0.9433404467142834
Energy: 0.9672565396410664
Energy: 1.1282068820194249
Energy: 0.9567892509925174
Energy: 0.906512927723125
Energy: 0.9567892509995949
Energy: 1.4181594530473642
Energy: 1.1025969236408004
Energy: 0.9437888557181532
Energy: 1.1025969236438333
Energy: 1.057745526428013
Energy: 1.001582553507015
Energy: 0.9142118232577868
Energy: 1.0015825535130813
Energy: 1.0522878334152657
Energy: 0.9891619346663775
Energy: 0.9530298005577593
Energy: 0.9891619346673886
Energy: 0.9603970672820568
Energy: 0.9373272102291444
Energy: 1.2398468455019813
Energy: 0.9373272102281334
Energy: 1.0218896240642037
Energy: 1.1017322022622105
Energy: 0.9602710038992915
Energy: 1.1017322022641864
Energy: 0.9434707301745963
Energy: 1.0988500221422457
Energy: 1.299363881133094
Energy: 1.0988500221432567
Energy: 0.9201316063830551
Energy: 1.0019651818209963
Energy: 1.0611435443661656
Energy: 1.0019651818250404

minimum gb energy = 0.9063115706677137 eV
minimum distance =  2.22430703807086 Angstroms
sigma value = 41


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

Energy: 1.3266916571271081
Energy: 0.8980658575109137
Energy: 1.4477685033437109
Energy: 0.8980658575183738
Energy: 1.4072654042943347
Energy: 0.8595929692745795
Energy: 0.8483925212620456
Energy: 0.8595929692770662
Energy: 0.9718172824977451
Energy: 0.8574584343694681
Energy: 0.8619334236599301
Energy: 0.8574584344954604
Energy: 1.248854082831725
Energy: 0.8722892119987248
Energy: 0.8495626966073091
Energy: 0.8722892116291876
Energy: 0.9326839456493683
Energy: 0.9051793050409419
Energy: 0.8585043076097275
Energy: 0.9051793050425998
Energy: 1.0796296601411843
Energy: 0.8541508057962628
Energy: 0.8590788856605075
Energy: 0.8541508057846581
Energy: 0.8566907509212034
Energy: 0.8598222188685672
Energy: 0.9502268339519341
Energy: 0.8598222188751984
Energy: 0.9141829286119438
Energy: 0.8802438605063946
Energy: 0.933405410711249
Energy: 0.8802438605030789
Energy: 0.8514123147901499
Energy: 0.8817429061933498
Energy: 1.313415837387469
Energy: 0.8817429061842319
Energy: 0.8405345564797926
Energy: 0.8546325232897717
Energy: 0.9725711973720779
Energy: 0.8546325232947452
Energy: 0.8472622306820278
Energy: 0.8647779998513586
Energy: 1.406553985655426
Energy: 0.8647779998422409
Energy: 0.8267722545177331
Energy: 0.8795471735405365
Energy: 1.198920763796569
Energy: 0.8795471736042862
Energy: 0.8513092102700386
Energy: 0.8883580510136359
Energy: 1.3235865353708967
Energy: 0.8883580510219248
Energy: 1.1183988087177283
Energy: 0.964510645867643
Energy: 0.9724395110918124
Energy: 0.9645106458717875
Energy: 0.8506312947744337
Energy: 0.872665291143264
Energy: 1.2483742843241474
Energy: 0.872665291143264
Energy: 1.1113506114979903
Energy: 0.8803624476075305
Energy: 0.9340242919924359
Energy: 0.8803624476705266
Energy: 0.8622108818085644
Energy: 0.8826761941646579
Energy: 1.0804159537045648
Energy: 0.8826761942333812
Energy: 1.1835183673611627
Energy: 0.9656979166666622
Energy: 0.85885348147434
Energy: 0.9656979166757801
Energy: 0.9359215291471705
Energy: 0.879782176794667
Energy: 0.9120798534701728
Energy: 0.8797821768012983
Energy: 1.1824808618884723
Energy: 0.8799517353349583
Energy: 0.8512268295104272
Energy: 0.8799517353357871
Energy: 0.9755576529729411
Energy: 0.8824425238150414
Energy: 0.830761655061566
Energy: 0.8824425239509804
Energy: 1.4134091730028222
Energy: 0.9071424127982113
Energy: 0.8482148454466104
Energy: 0.9071424128446294
Energy: 1.2849320642514914
Energy: 0.8950195024771548
Energy: 0.8259023141068348
Energy: 0.8950195024854438
Energy: 1.2815205548110602
Energy: 0.8823854999450601
Energy: 0.8514830533573615
Energy: 0.882385499977387
Energy: 0.9752275533715237
Energy: 0.9633865934854997
Energy: 0.8347459812804137
Energy: 0.963386593491302
Energy: 1.2609782846414725
Energy: 0.9245340195692301
Energy: 0.854046076847621
Energy: 0.924534019647071
Energy: 0.9358578615766551
Energy: 0.8793739271669645
Energy: 1.105692651398489
Energy: 0.8793739271644777
Energy: 0.935711996624018
Energy: 0.8824203445467144
Energy: 0.8630852027135455
Energy: 0.8824203445458856
Energy: 0.8623633232813177
Energy: 0.9636800714528603
Energy: 1.1800174219329773
Energy: 0.9636800714487157
Energy: 0.9114658994275369
Energy: 0.9376555277042994
Energy: 0.9405701815272539
Energy: 0.9376555277175617
Energy: 0.8557378889896537
Energy: 0.8794091971617846
Energy: 1.1754464463222791
Energy: 0.8794091971543245
Energy: 0.8450404616681861
Energy: 0.8822607239642716
Energy: 0.9796355702025766
Energy: 0.8822607239568114

minimum gb energy = 0.8259023141068348 eV
minimum distance =  2.21907747705628 Angstroms
sigma value = 15


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

Energy: 1.0945622602709724
Energy: 0.8004762240341152
Energy: 1.1856651516040104
Energy: 0.8004762240320088
Energy: 1.3232511988762208
Energy: 0.7957731258335932
Energy: 0.797600141869592
Energy: 0.7957731258307845
Energy: 0.8279483915064562
Energy: 0.7957723597503342
Energy: 0.7681251742105342
Energy: 0.7957723597496321
Energy: 1.1881760854635781
Energy: 0.7962659687749281
Energy: 0.7975647350383253
Energy: 0.7962659687938873
Energy: 0.794037126813103
Energy: 0.8001921832856976
Energy: 0.7678930270985337
Energy: 0.8001921832864
Energy: 1.0496107721456245
Energy: 1.255174176602074
Energy: 0.7975077089315509
Energy: 1.2551741766048832
Energy: 0.7969339308395508
Energy: 0.8106520775722613
Energy: 0.7950299952716091
Energy: 0.8106520775729635
Energy: 0.907634148657166
Energy: 1.0519474849113737
Energy: 0.7976571762136527
Energy: 1.0519474850201496
Energy: 0.7996494849918316
Energy: 0.8133824077796084
Energy: 0.9428872773188209
Energy: 0.8133824077641602
Energy: 0.771856202680556
Energy: 0.7950108861423247
Energy: 0.7947416994763529
Energy: 0.7950108861416226
Energy: 0.7969261545192372
Energy: 0.7970253556853419
Energy: 1.2422516767043774
Energy: 0.7970253556895551
Energy: 0.7783240306289099
Energy: 0.7966470883201837
Energy: 0.8287257414734389
Energy: 0.7966470904552941
Energy: 0.7997694538203953
Energy: 0.8134967065566931
Energy: 1.3312385091097252
Energy: 0.813496706559502
Energy: 0.7663916821690623
Energy: 0.796582988949647
Energy: 1.0939188261562347
Energy: 0.7965829889419228
Energy: 0.7968985934698789
Energy: 0.7959869015742935
Energy: 1.3355477211788533
Energy: 0.7959869005713082
Energy: 1.0154084932645304
Energy: 0.7954939491326336
Energy: 0.8286767093413988
Energy: 0.7954940581451269
Energy: 0.7998270886229736
Energy: 0.810804248626062
Energy: 1.2043244274679359
Energy: 0.8108042486295729
Energy: 1.0024831634561153
Energy: 0.7955348130846039
Energy: 0.7946638810886522
Energy: 0.7955348130909237
Energy: 0.7970757037171382
Energy: 0.794738734446602
Energy: 1.0478352125534118
Energy: 0.7947387344480064
Energy: 0.9855238572478954
Energy: 0.7945037032297295
Energy: 0.7976615182825668
Energy: 0.7945037032262185
Energy: 0.7995815479929781
Energy: 0.8284136363166329
Energy: 0.9070743559894915
Energy: 0.8284136363180372
Energy: 0.9833570465858023
Energy: 0.8111040406408914
Energy: 0.8027758714773631
Energy: 0.8111040406387847
Energy: 0.7970775372479123
Energy: 0.7948588611125982
Energy: 0.7618479606242644
Energy: 0.7948588610564229
Energy: 1.2553292594629861
Energy: 0.7962097174449322
Energy: 0.7977155862941191
Energy: 0.7962097176190119
Energy: 0.8309618775267164
Energy: 0.8282092687347635
Energy: 0.764411993613406
Energy: 0.8282092687333591
Energy: 1.2229841315698213
Energy: 0.8115432249190315
Energy: 0.8029669419801537
Energy: 0.8115432249232447
Energy: 1.0938851525872624
Energy: 0.795764237808073
Energy: 0.7624361750163886
Energy: 0.7957642378143929
Energy: 1.3314509539648076
Energy: 0.795612420193021
Energy: 0.7976970892092007
Energy: 0.795612415893308
Energy: 0.8308921270869921
Energy: 0.8288032224069612
Energy: 0.7699455050174316
Energy: 0.8288032224336446
Energy: 1.0653397559489497
Energy: 0.8138466510537735
Energy: 0.8031279842045692
Energy: 0.8138466510523691
Energy: 0.7969813218324772
Energy: 0.7948904486325447
Energy: 1.001243164608205
Energy: 0.7948904486276294
Energy: 1.0488792572659826
Energy: 0.7948267067120597
Energy: 0.7977425725120938
Energy: 0.7948267067211883
Energy: 0.7998913586380944
Energy: 0.8988758136492999
Energy: 1.0017527859221558
Energy: 0.8988758136766856
Energy: 0.7923565033210261
Energy: 0.8282214336635509
Energy: 0.8030397050623291
Energy: 0.828221433674786
Energy: 0.7894967973726751
Energy: 0.865301660846673
Energy: 0.997249152227003
Energy: 0.8653016609084659
Energy: 0.7618017731713158
Energy: 0.794637164265666
Energy: 0.8003344179218462
Energy: 0.794637164265666
Energy: 0.7996991102434621
Energy: 0.8988204839940024
Energy: 1.2517232318054705
Energy: 0.8988204839876827

minimum gb energy = 0.7618017731713158 eV
minimum distance =  2.2201508357488 Angstroms
sigma value = 85


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

Energy: 1.1381258739648743
Energy: 0.7989144977091617
Energy: 0.9237676041972701
Energy: 0.7989144976622676
Energy: 1.4615058314135407
Energy: 0.7761950111761978
Energy: 0.7334805699309487
Energy: 0.7761950111774159
Energy: 1.0842383802676472
Energy: 0.7923835160729488
Energy: 0.7348410079836986
Energy: 0.7923835160212104
Energy: 1.250853772595198
Energy: 0.8311417744229247
Energy: 0.733412704252949
Energy: 0.831143439327303
Energy: 0.8433751027301548
Energy: 0.7437522848259298
Energy: 0.7212964801629519
Energy: 0.743752284835674
Energy: 1.1285491968680879
Energy: 0.8451463780987127
Energy: 0.7334986438290615
Energy: 0.845146378173566
Energy: 0.7960130175525123
Energy: 0.9111595278399145
Energy: 0.8108950581447918
Energy: 0.9111595278995699
Energy: 1.0042730962305706
Energy: 0.7747848633853299
Energy: 0.7430866520697292
Energy: 0.7747848578719412
Energy: 0.7435658992634021
Energy: 0.7509704657115821
Energy: 0.9458631170901282
Energy: 0.7509704656787232
Energy: 0.8760080913121256
Energy: 0.8986805772197055
Energy: 0.7967896672167365
Energy: 0.8986805766048799
Energy: 0.733455601893223
Energy: 0.776225650059814
Energy: 1.1294451408486172
Energy: 0.7762256501322589
Energy: 0.7553756666579523
Energy: 0.7749864063096955
Energy: 0.8440571445574067
Energy: 0.7749864063005603
Energy: 0.73273362459571
Energy: 0.750915080713812
Energy: 1.290076143422441
Energy: 0.7509150807192931
Energy: 0.6914327634383641
Energy: 0.8459607355553791
Energy: 1.071387390455645
Energy: 0.8459854053582379
Energy: 0.7337461704755798
Energy: 0.7762323031163268
Energy: 1.3717060585523255
Energy: 0.7762323031491858
Energy: 0.691895467189582
Energy: 0.7748171521799945
Energy: 1.0481322907961927
Energy: 0.7748171521830395
Energy: 0.732848766566261
Energy: 0.7529244519438545
Energy: 1.3093446111271962
Energy: 0.7529244519383734
Energy: 0.8916805496654902
Energy: 0.8458950334710719
Energy: 1.0704624411328771
Energy: 0.8458950709841837
Energy: 0.7330293997869975
Energy: 0.7773376088904075
Energy: 1.2508726707664368
Energy: 0.7773376088891895
Energy: 0.8943964641911715
Energy: 0.7744569801732039
Energy: 0.8441166825888383
Energy: 0.7744569801738127
Energy: 0.7341696584966796
Energy: 0.7635033391167817
Energy: 1.128651696910599
Energy: 0.7635033391167817
Energy: 0.9475755089905923
Energy: 0.8849499113988963
Energy: 0.7969361934395044
Energy: 0.8849499093413483
Energy: 0.7448088621663318
Energy: 0.774548844762605
Energy: 1.0034011091734747
Energy: 0.7745488447571238
Energy: 0.9643577532202274
Energy: 0.8030560454518952
Energy: 0.7431425456117403
Energy: 0.803056045447632
Energy: 0.7988236385608813
Energy: 0.7746921603756123
Energy: 0.876259845414638
Energy: 0.7746921599166109
Energy: 1.1896682733301593
Energy: 0.8850518042998398
Energy: 0.7347185813103762
Energy: 0.8850518042943587
Energy: 0.8453118535387775
Energy: 0.7745197295698479
Energy: 0.7529393778666625
Energy: 0.7745197295753291
Energy: 1.2016245570332276
Energy: 0.8028924060140742
Energy: 0.7334190917329926
Energy: 0.8028924060092021
Energy: 1.0700818988804144
Energy: 0.7897416352486539
Energy: 0.7578569243796369
Energy: 0.7897416353405595
Energy: 1.371000732051804
Energy: 0.8851705088182247
Energy: 0.7347086297472339
Energy: 0.8851705090763352
Energy: 1.12588718656758
Energy: 0.7897753457175514
Energy: 0.6878918364587873
Energy: 0.7897753454789294
Energy: 1.2869697361044063
Energy: 0.8030156632247125
Energy: 0.7334861515821375
Energy: 0.8030156632271485
Energy: 1.0704562370631294
Energy: 0.7897250258631453
Energy: 0.6909895278498951
Energy: 0.7897250260007266
Energy: 1.250686847299768
Energy: 0.8299186865510174
Energy: 0.7347604351341116
Energy: 0.8299193606152351
Energy: 0.8461493130783976
Energy: 0.7745777982101822
Energy: 0.8947137768488133
Energy: 0.7745777982035107
Energy: 1.0285635906068011
Energy: 0.8190973846028752
Energy: 0.7362757997998982
Energy: 0.8190973846047022
Energy: 0.7985067449922596
Energy: 0.77458246145055
Energy: 0.9459695507673064
Energy: 0.774582461418909
Energy: 1.003828871853648
Energy: 0.7744537659699935
Energy: 0.7424055505357209
Energy: 0.7744537660034893
Energy: 0.744911975982029
Energy: 0.7745782629840694
Energy: 0.9570109659844146
Energy: 0.7745782629968587
Energy: 0.7787614089331093
Energy: 0.8332931764542549
Energy: 0.7996936242138222
Energy: 0.8332931764542549
Energy: 0.7321363855828656
Energy: 0.7745912387942956
Energy: 1.1898708965888554
Energy: 0.7745912387918594
Energy: 0.7541836236305623
Energy: 0.7744204647010845
Energy: 0.8477474844364836
Energy: 0.7744204646992575
Energy: 0.7332579576512269
Energy: 0.7745377920790147
Energy: 1.2008958418972644
Energy: 0.7745377920765787

minimum gb energy = 0.6878918364587873 eV
minimum distance =  2.23895806652273 Angstroms
sigma value = 113


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

Energy: 0.7285453945666932
Energy: 0.7291407010803722
Energy: 1.2433428653108738
Energy: 0.7291407010799039
Energy: 1.2424848396091495
Energy: 0.4342347146174779
Energy: 0.4340618073713541
Energy: 0.4342347146206511
Energy: 0.020072852860651417
Energy: 0.02056388328148218
Energy: 0.021978270503065802
Energy: 0.020563883283302872
Energy: 1.2424848396109702
Energy: 0.4342347146160734
Energy: 0.4340618073708859
Energy: 0.43423471461883045
Energy: 0.7285453945680459
Energy: 0.7291407010803722
Energy: 0.02202992720083808
Energy: 0.7291407010817247
Energy: 1.2424848396105541
Energy: 0.4342347146178941
Energy: 0.43406180736948136
Energy: 0.4342347146183622

minimum gb energy = 0.020072852860651417 eV
minimum distance =  2.48312649540233 Angstroms
sigma value = 1