Model name: model_name=EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049763545393944
cohesive_energy=3.3185781967567785
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[5.898509408669039e-20, 1.198269506745234e-19, 1.86350766477174e-19, 2.5415167727478596e-19, 3.1908469189753797e-19, 3.7609814741842796e-19, 4.19627684387574e-19, 4.48383550614606e-19, 4.65284911926672e-19, 4.7357136947772e-19, 4.77418195575954e-19, 4.815069503459219e-19, 4.88160789906924e-19, 4.958512377501239e-19, 5.03745162025842e-19, 5.109181068162599e-19, 5.1638954002137e-19, 5.205696188594759e-19, 5.2421617287846e-19, 5.2700235804498595e-19, 5.290980050822579e-19, 5.305319531696879e-19, 5.31376300255806e-19, 5.31653476813488e-19, 5.313522676062959e-19, 5.30373337682922e-19, 5.286109433855219e-19, 5.259144801105e-19, 5.221061062514819e-19, 5.169775388460479e-19, 5.10334914521484e-19, 5.017536564697799e-19, 4.90910125010868e-19, 4.773284736844499e-19, 4.604271123723839e-19, 4.3947064199966395e-19, 4.1352980011856996e-19, 3.81779465762592e-19, 3.42053496122562e-19, 2.9265358396644e-19, 2.3094254655466196e-19, 1.5342539577782038e-19, 5.52001120065288e-20, -7.04139006700026e-20, -2.3268891908572194e-19, -4.45903381185174e-19, -7.30449951383574e-19, -1.1186861889811859e-18, -1.66200190951356e-18, -2.4479656790885997e-18, -3.63320788762278e-18, -5.52324759745356e-18, -8.774993250287278e-18, -1.502516440835298e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010197891529983207
Energy: 0.011112065314476133
Energy: 0.3055917159774638
Energy: 0.011112065314476133
Energy: 0.011112065314476133
Energy: 0.35721598254469156
Energy: 0.011112065314476133
Energy: 0.35721598254469156
Energy: 0.30559171597843565
Energy: 0.011112065314476133
Energy: 0.010197891529983207
Energy: 0.011112065314476133
Energy: 0.011112065314476133
Energy: 0.3572159825451636
Energy: 0.011112065314476133
Energy: 0.357215982547607

minimum gb energy = 0.010197891529983207 eV
minimum distance =  2.79680349533039 Angstroms
sigma value = 1


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

Energy: 0.5919951275858999
Energy: 0.38752234749934406
Energy: 0.4112164966751625
Energy: 0.38752234749934406
Energy: 0.40253789127314965
Energy: 0.42317434231212975
Energy: 0.39532303905796873
Energy: 0.42317434231334194
Energy: 0.41057979933022376
Energy: 0.4100056781254377
Energy: 0.640819730464548
Energy: 0.4100056781248316
Energy: 0.39574586137297885
Energy: 0.3956332070607003
Energy: 0.3957291268751537
Energy: 0.39563320706130645
Energy: 0.5515503290172041
Energy: 0.3949192171213423
Energy: 0.39580056436664784
Energy: 0.3949192171201301
Energy: 0.39916529951752755
Energy: 0.4429617262636768
Energy: 0.39547383094738514
Energy: 0.44296172626488906
Energy: 0.4146923917698787
Energy: 0.42331206201829696
Energy: 0.4139771551744385
Energy: 0.4233120620195091
Energy: 0.4188121925389819
Energy: 0.43516422130739785
Energy: 0.43075735349389976
Energy: 0.43516422130739785
Energy: 0.42209629546300054
Energy: 0.4372663172541536
Energy: 0.4228852789226708
Energy: 0.4372663172541536
Energy: 0.42606960387944737
Energy: 0.43713211115960743
Energy: 0.42268250298285076
Energy: 0.43713211115839523
Energy: 0.4221417047205486
Energy: 0.4370336927508246
Energy: 0.4218888784016275
Energy: 0.4370336927508246
Energy: 0.4163001900081365
Energy: 0.4360998789020568
Energy: 0.42904439145482137
Energy: 0.43609987890145063
Energy: 0.42374523032550837
Energy: 0.42286508983941484
Energy: 0.4038043976855131
Energy: 0.4228650898406271
Energy: 0.3992427004070452
Energy: 0.42444874777836433
Energy: 0.41459375700326306
Energy: 0.42444874777836433
Energy: 0.4024963575801056
Energy: 0.39413136798405496
Energy: 0.39422937777410877
Energy: 0.3941313679846611
Energy: 0.3860188015819521
Energy: 0.39491401624158823
Energy: 0.39527286526938393
Energy: 0.39491401624158823
Energy: 0.40991597639091376
Energy: 0.4097716204833211
Energy: 0.3856157773885525
Energy: 0.4097716204833211
Energy: 0.3953026979093383
Energy: 0.39535662589509735
Energy: 0.40255347729575985
Energy: 0.39535662589509735
Energy: 0.39511285427623294
Energy: 0.4101199976383658
Energy: 0.4112509263627004
Energy: 0.4101199976383658
Energy: 0.39614317043401903
Energy: 0.3954973970721087
Energy: 0.3955924044027912
Energy: 0.3954973970721087
Energy: 0.39700918600517204
Energy: 0.39516248572913193
Energy: 0.4139280267085348
Energy: 0.39516248572913193
Energy: 0.3952461928219425
Energy: 0.3949014153504438
Energy: 0.39682351664852994
Energy: 0.39490141535104994
Energy: 0.4138440550922583
Energy: 0.42598372322612954
Energy: 0.4149352154896933
Energy: 0.42598372322552336
Energy: 0.40804165014271315
Energy: 0.42483416647413413
Energy: 0.4164000319784425
Energy: 0.42483416647352795
Energy: 0.4227220296983126
Energy: 0.4375428282495659
Energy: 0.42179597388712897
Energy: 0.4375428282495659
Energy: 0.42452316506923704
Energy: 0.43580175169766316
Energy: 0.42703216978634034
Energy: 0.43580175169766316
Energy: 0.42205533210312207
Energy: 0.4369647154694156
Energy: 0.42136645569102393
Energy: 0.4369647154694156
Energy: 0.4274599384888589
Energy: 0.43629591358905584
Energy: 0.424931690865454
Energy: 0.43629591358966197
Energy: 0.4037822052808144
Energy: 0.4226987297684567
Energy: 0.42475875996006807
Energy: 0.4226987297684567
Energy: 0.4145292153291324
Energy: 0.4241813630101627
Energy: 0.4186415832972479
Energy: 0.4241813630095566
Energy: 0.3940241273588538
Energy: 0.3940506623722014
Energy: 0.40230842904603414
Energy: 0.39405066237280745
Energy: 0.3948673138429283
Energy: 0.3949809188638954
Energy: 0.3859181332706885
Energy: 0.39498091886268316
Energy: 0.38520400420222384
Energy: 0.39562096016726006
Energy: 0.41058515598193757
Energy: 0.39562096016726006

minimum gb energy = 0.38520400420222384 eV
minimum distance =  2.54687005460632 Angstroms
sigma value = 1


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

Energy: 0.6687570441111795
Energy: 0.4046049433815108
Energy: 0.43068399451735595
Energy: 0.4046049433787465
Energy: 0.4251899046554013
Energy: 0.4432612753683207
Energy: 0.4142111905236056
Energy: 0.4432612753683207
Energy: 0.4301355349658117
Energy: 0.4304505782871666
Energy: 0.6167749887526588
Energy: 0.43045057828509337
Energy: 0.4151384396533868
Energy: 0.41425778154239135
Energy: 0.41422991641681045
Energy: 0.4142577815417003
Energy: 0.4139414526816477
Energy: 0.4139842764472007
Energy: 0.4148614963919947
Energy: 0.41398427644789176
Energy: 0.41703864037539623
Energy: 0.460310682142
Energy: 0.41529823840222596
Energy: 0.4603106821447644
Energy: 0.43912504861206253
Energy: 0.44764352554644193
Energy: 0.43663919309737315
Energy: 0.44764352554091336
Energy: 0.4376079271514838
Energy: 0.44924477545114727
Energy: 0.42836544080090544
Energy: 0.4492447754532205
Energy: 0.4372845904455447
Energy: 0.46124918490673134
Energy: 0.44412186732304865
Energy: 0.46124918490396694
Energy: 0.45007719258512946
Energy: 0.46076187679787833
Energy: 0.43923624062928157
Energy: 0.4607618767992605
Energy: 0.42610473972188867
Energy: 0.44774045181009775
Energy: 0.451931339332508
Energy: 0.447740451803187
Energy: 0.4373886719820623
Energy: 0.4493295507630711
Energy: 0.4166626644282996
Energy: 0.44932955075961567
Energy: 0.413905673781475
Energy: 0.41398932706803293
Energy: 0.4251081995820891
Energy: 0.41398932706941505
Energy: 0.4144928065764428
Energy: 0.4147040489209449
Energy: 0.4023713859477861
Energy: 0.41470404892716467
Energy: 0.40190885945514127
Energy: 0.429959630966755
Energy: 0.43052244247094723
Energy: 0.42995963096744605
Energy: 0.42548682810165644
Energy: 0.4142125389603512
Energy: 0.41425766635833683
Energy: 0.4142125389651888
Energy: 0.4319038556169465
Energy: 0.4301807566076781
Energy: 0.41519072465415563
Energy: 0.43018075660560484
Energy: 0.415080790908444
Energy: 0.41428870847339955
Energy: 0.41492936627740895
Energy: 0.41428870847201743
Energy: 0.41438356901225243
Energy: 0.4155047436979388
Energy: 0.4151499012463086
Energy: 0.4155047436917191
Energy: 0.4160065487297427
Energy: 0.4144794255579096
Energy: 0.4153948465125909
Energy: 0.4144794255572185
Energy: 0.4373440976973109
Energy: 0.44805581174498055
Energy: 0.43683833251217147
Energy: 0.4480558117415252
Energy: 0.4367312217730126
Energy: 0.4500349058373131
Energy: 0.4298545694736335
Energy: 0.4500349058331666
Energy: 0.4372088024464836
Energy: 0.4613718047337801
Energy: 0.4437126169540032
Energy: 0.4613718047323979
Energy: 0.4499536253918233
Energy: 0.46034323787346537
Energy: 0.44789439349146504
Energy: 0.46034323787139214
Energy: 0.42562917682322216
Energy: 0.44773783052955557
Energy: 0.4534874483974237
Energy: 0.4477378305302466
Energy: 0.4372431193134923
Energy: 0.4473922224031455
Energy: 0.443173812955282
Energy: 0.44739222239830795
Energy: 0.41380712653626833
Energy: 0.41413754727977165
Energy: 0.425337524528099
Energy: 0.41413754727355195
Energy: 0.41525616011319616
Energy: 0.4146912789825069
Energy: 0.4022125415095458
Energy: 0.4146912789859622
Energy: 0.40203616230335093
Energy: 0.41519725326562135
Energy: 0.43065778368601065
Energy: 0.4151972532676946

minimum gb energy = 0.40190885945514127 eV
minimum distance =  2.55402782655723 Angstroms
sigma value = 25


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

Energy: 0.6398297709934008
Energy: 0.4234071761784249
Energy: 0.4524416240773209
Energy: 0.4234071761776214
Energy: 0.45320922574478295
Energy: 0.4646394536552538
Energy: 0.43742385744134454
Energy: 0.4646394536552538
Energy: 0.4524841620060883
Energy: 0.45299088819005995
Energy: 0.4363369261713858
Energy: 0.45299088819005995
Energy: 0.4380721555285843
Energy: 0.4372064836745494
Energy: 0.4374319720330441
Energy: 0.4372064836753528
Energy: 0.437324551863296
Energy: 0.4368133291040843
Energy: 0.4367537918752995
Energy: 0.436813329103281
Energy: 0.43793723134124407
Energy: 0.4919756892773983
Energy: 0.43670775369127335
Energy: 0.4919756892773983
Energy: 0.46115239101970273
Energy: 0.4781926252617932
Energy: 0.45867452003749226
Energy: 0.47819262526259654
Energy: 0.45929760713598294
Energy: 0.47888621300380596
Energy: 0.42808245149870405
Energy: 0.47888621300380596
Energy: 0.4599150991713313
Energy: 0.4778315260128598
Energy: 0.4530925613724487
Energy: 0.4778315260128598
Energy: 0.4398050867101146
Energy: 0.47797436209204147
Energy: 0.4371823828068033
Energy: 0.47797436209204147
Energy: 0.4196950413203827
Energy: 0.4366904740033467
Energy: 0.4368309664712725
Energy: 0.4366904740033467
Energy: 0.4200042935067399
Energy: 0.4368895382528297
Energy: 0.436801041365823
Energy: 0.4368895382528297
Energy: 0.4517566849352959
Energy: 0.45256873174794415
Energy: 0.419866422846796
Energy: 0.45256873174794415
Energy: 0.43744990322491056
Energy: 0.4384994574607377
Energy: 0.45395456749088403
Energy: 0.4384994574599343
Energy: 0.4365107206600195
Energy: 0.4528488275281483
Energy: 0.45344635681178763
Energy: 0.4528488275281483
Energy: 0.4374839874886961
Energy: 0.4372228086490711
Energy: 0.43795619633739147
Energy: 0.4372228086498745
Energy: 0.4389235684572146
Energy: 0.4384836532970107
Energy: 0.43718314262984415
Energy: 0.4384836532970107
Energy: 0.4388138232889634
Energy: 0.43661689941977694
Energy: 0.4380062566305699
Energy: 0.43661689941977694
Energy: 0.4586286556433785
Energy: 0.47902203294188866
Energy: 0.4617551902101838
Energy: 0.4790220329410853
Energy: 0.42773536867971246
Energy: 0.48026179459942137
Energy: 0.4599695416249923
Energy: 0.48026179459942137
Energy: 0.4527158134715683
Energy: 0.4779137058523408
Energy: 0.49071066023112175
Energy: 0.47791370585314413
Energy: 0.45329149933249746
Energy: 0.4779488377697053
Energy: 0.468584666224135
Energy: 0.4779488377697053
Energy: 0.4365617698061024
Energy: 0.43651124604750446
Energy: 0.42026970366998756
Energy: 0.43651124604750446
Energy: 0.43659246632339854
Energy: 0.43694979584529625
Energy: 0.4200330669420507
Energy: 0.43694979584529625
Energy: 0.4200908206827902
Energy: 0.4376176532502584
Energy: 0.4522675378261241
Energy: 0.4376176532510617

minimum gb energy = 0.4196950413203827 eV
minimum distance =  2.55106013927547 Angstroms
sigma value = 9


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

Energy: 0.5954914522107488
Energy: 0.4425399225509821
Energy: 0.47709039405817344
Energy: 0.4425399225509821
Energy: 0.48331599995107943
Energy: 0.48654015270102063
Energy: 0.46451400531023196
Energy: 0.486540152701979
Energy: 0.4767680383416844
Energy: 0.47684295957993583
Energy: 0.47584855748679844
Energy: 0.47684295957897743
Energy: 0.4628389679479385
Energy: 0.4865694420924523
Energy: 0.46463050746942924
Energy: 0.48656944209341063
Energy: 0.46208150445346635
Energy: 0.46413183580675094
Energy: 0.46332398147324044
Energy: 0.4641318358086677
Energy: 0.4628283680578752
Energy: 0.4651431847895079
Energy: 0.46590248466075374
Energy: 0.4651431847904662
Energy: 0.48514486998855644
Energy: 0.5163705859445178
Energy: 0.4641397840424167
Energy: 0.5163705859445178
Energy: 0.4649907769147384
Energy: 0.5148459455469974
Energy: 0.4663938505554928
Energy: 0.514845945546039
Energy: 0.4626573444684648
Energy: 0.463981883145857
Energy: 0.43776054510397555
Energy: 0.46398188314394023
Energy: 0.46492828013745363
Energy: 0.46448967316843687
Energy: 0.4378674598991081
Energy: 0.46448967316747847
Energy: 0.43769352239066245
Energy: 0.47657131377828765
Energy: 0.47629555465672496
Energy: 0.47657131377637096
Energy: 0.4831696035412087
Energy: 0.46433070426334794
Energy: 0.46523911295005776
Energy: 0.46433070426238954
Energy: 0.4779857678753631
Energy: 0.47711767363642876
Energy: 0.4758643405292148
Energy: 0.4771176736354704
Energy: 0.4833411346316002
Energy: 0.46405364639871177
Energy: 0.4759870744597999
Energy: 0.46405364640062846
Energy: 0.46209905350927394
Energy: 0.46356434061249724
Energy: 0.4647243617818121
Energy: 0.46356434061441393
Energy: 0.4632511875492344
Energy: 0.46460740225732805
Energy: 0.46442707249559895
Energy: 0.4646074022554113
Energy: 0.48373838911482925
Energy: 0.5193235556106843
Energy: 0.46394302709609586
Energy: 0.5193235556106843
Energy: 0.48325441205713787
Energy: 0.516195338021255
Energy: 0.46704355424774063
Energy: 0.516195338021255
Energy: 0.4624587158544369
Energy: 0.46396416951805247
Energy: 0.4376343107679853
Energy: 0.46396416951901087
Energy: 0.4648120878466914
Energy: 0.4640760271248405
Energy: 0.43805689754282706
Energy: 0.4640760271257988
Energy: 0.43736182291445397
Energy: 0.4616560842186945
Energy: 0.4774371661763051
Energy: 0.46165608421677773

minimum gb energy = 0.43736182291445397 eV
minimum distance =  2.56861167925802 Angstroms
sigma value = 25


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

Energy: 0.5344221772333525
Energy: 0.46256849670404016
Energy: 0.5064085824609712
Energy: 0.4625684967052253
Energy: 0.5051096162864053
Energy: 0.4937525586901806
Energy: 0.47121440963405364
Energy: 0.49375255869136575
Energy: 0.5056004801524899
Energy: 0.5062906992322324
Energy: 0.5042119445452985
Energy: 0.5062906992310471
Energy: 0.5061243299329852
Energy: 0.4940280525534582
Energy: 0.47085301071822727
Energy: 0.49402805255227294
Energy: 0.46921595925620496
Energy: 0.4997194108381757
Energy: 0.4721015657278009
Energy: 0.4997194108393609
Energy: 0.4592151327174306
Energy: 0.4990089145439892
Energy: 0.4699080354828714
Energy: 0.49900891454517443
Energy: 0.45751817153953483
Energy: 0.47049092341296395
Energy: 0.4718450836982516
Energy: 0.4704909173202187
Energy: 0.4576350252317031
Energy: 0.49455791267245225
Energy: 0.47205420321879116
Energy: 0.49455791267245225
Energy: 0.5052634410348141
Energy: 0.505731768531531
Energy: 0.5474513067964119
Energy: 0.505731768531531
Energy: 0.5162636339418454
Energy: 0.46039534860024356
Energy: 0.5040131681852674
Energy: 0.4603953486014287
Energy: 0.5059443074706893
Energy: 0.5061657004658808
Energy: 0.5076003470350879
Energy: 0.5061657004658808
Energy: 0.5042799838486074
Energy: 0.49544877846067686
Energy: 0.5160400382129307
Energy: 0.49544877846067686
Energy: 0.4702024971894761
Energy: 0.4620424913215325
Energy: 0.4690237332235768
Energy: 0.46204249131916214
Energy: 0.47176498946791984
Energy: 0.4990488891549319
Energy: 0.46048904851473144
Energy: 0.4990488891608579
Energy: 0.4723997562269784
Energy: 0.4708489451487714
Energy: 0.4576735720364815
Energy: 0.47084894516062337
Energy: 0.4703148809036539
Energy: 0.47108058281921794
Energy: 0.4579786968483165
Energy: 0.4710805828215883
Energy: 0.5481606473238351
Energy: 0.46036689383270557
Energy: 0.5083066110672317
Energy: 0.46036689383270557

minimum gb energy = 0.45751817153953483 eV
minimum distance =  2.6183501884748 Angstroms
sigma value = 17


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

Energy: 0.7276409589378584
Energy: 0.523641325471733
Energy: 0.5518112379653406
Energy: 0.5236413254730756
Energy: 0.4709186687733626
Energy: 0.5375140666492236
Energy: 0.5343534344631047
Energy: 0.5375140666492236
Energy: 0.4979079433723698
Energy: 0.49796593930403543
Energy: 0.5262841069511583
Energy: 0.49796593930470673
Energy: 0.4990555314821036
Energy: 0.5008169513267032
Energy: 0.5021189406966375
Energy: 0.5008169513267032
Energy: 0.4984098594386462
Energy: 0.5355987628160874
Energy: 0.4719684699926419
Energy: 0.535598762814745
Energy: 0.4987358879391101
Energy: 0.5224252227889181
Energy: 0.49797746643309765
Energy: 0.5224252227875756
Energy: 0.5192689131084107
Energy: 0.4970713023110491
Energy: 0.49738714729861355
Energy: 0.4970713023110491
Energy: 0.5585284144499284
Energy: 0.49812858439270513
Energy: 0.48134674708811204
Energy: 0.49812858439270513
Energy: 0.5524704521333355
Energy: 0.5509802720593534
Energy: 0.5286346967790315
Energy: 0.5509802720593534
Energy: 0.5571332783415334
Energy: 0.532680958625791
Energy: 0.5021418740387008
Energy: 0.532680958625791
Energy: 0.49713193564915403
Energy: 0.4839168436171938
Energy: 0.47929396139922426
Energy: 0.4839168436171938
Energy: 0.5280729386354619
Energy: 0.49169614640599035
Energy: 0.48347863158917026
Energy: 0.4916961464053191
Energy: 0.5249825480609481
Energy: 0.4941411526696822
Energy: 0.49261627312565887
Energy: 0.49414115266901104
Energy: 0.5199605665997885
Energy: 0.4935375398585709
Energy: 0.4802633907912259
Energy: 0.4935375398585709
Energy: 0.5523163264948266
Energy: 0.5329042024244663
Energy: 0.5582747529804454
Energy: 0.5329042024258088
Energy: 0.5515302505697167
Energy: 0.5579827055149645
Energy: 0.5864677969041702
Energy: 0.5579827055136221
Energy: 0.5571962012696576
Energy: 0.4974738880102796
Energy: 0.4980101204180553
Energy: 0.4974738880109508
Energy: 0.5573393087801022
Energy: 0.49751938722259587
Energy: 0.49675230331515563
Energy: 0.49751938722259587
Energy: 0.4984820393528456
Energy: 0.5353358851794925
Energy: 0.498014446061036
Energy: 0.5353358851794925
Energy: 0.5130770786354127
Energy: 0.5234089564289013
Energy: 0.49800139813451966
Energy: 0.5234089564289013
Energy: 0.4977141058756249
Energy: 0.5034207565646747
Energy: 0.5316712983477768
Energy: 0.5034207565646747
Energy: 0.4976098942376237
Energy: 0.49797855817547065
Energy: 0.5213293493780751
Energy: 0.49797855817547065
Energy: 0.5348983896900036
Energy: 0.5315726914159367
Energy: 0.5334589458935662
Energy: 0.5315726914145942
Energy: 0.5273889769469939
Energy: 0.5510486072345915
Energy: 0.5505451111180699
Energy: 0.5510486072345915
Energy: 0.48336030949162273
Energy: 0.494037348452255
Energy: 0.527377802475965
Energy: 0.49403734845158387
Energy: 0.48425283564188065
Energy: 0.4930780348168676
Energy: 0.4970659663579175
Energy: 0.49307803481619633
Energy: 0.47938093123777814
Energy: 0.48132709988826905
Energy: 0.5236540807221555
Energy: 0.48132709988961153
Energy: 0.48283680279922314
Energy: 0.4922906607955468
Energy: 0.5200846866482596
Energy: 0.4922906607955468
Energy: 0.48303629420599076
Energy: 0.49491953700677005
Energy: 0.5223175521723324
Energy: 0.49491953700677005
Energy: 0.5362417865678739
Energy: 0.551026738315064
Energy: 0.5510386756243145
Energy: 0.5510267383157352

minimum gb energy = 0.4709186687733626 eV
minimum distance =  2.587203723599 Angstroms
sigma value = 53


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

Energy: 0.6614962925427503
Energy: 0.45453742160636446
Energy: 0.5195955286508274
Energy: 0.45453742160636446
Energy: 0.5793119969090293
Energy: 0.4798575652582384
Energy: 0.5186950180129696
Energy: 0.4798575652597838
Energy: 0.5189733152630532
Energy: 0.5196093353411882
Energy: 0.5297273278542819
Energy: 0.5196093353396428
Energy: 0.5211872342630116
Energy: 0.4801557137229002
Energy: 0.5244748220746521
Energy: 0.4801557137229002
Energy: 0.5208115262416189
Energy: 0.4796791604033013
Energy: 0.45149958473605334
Energy: 0.4796791604017559
Energy: 0.5241063919822112
Energy: 0.4808218140668753
Energy: 0.4538361760509769
Energy: 0.4808218140684206
Energy: 0.5959677168342887
Energy: 0.5195743248748061
Energy: 0.5184959386001463
Energy: 0.5195743248732608
Energy: 0.579446703957409
Energy: 0.4813647002875704
Energy: 0.5241104500294413
Energy: 0.48136470028602507
Energy: 0.5190703794924384
Energy: 0.5196581919321345
Energy: 0.531903602405649
Energy: 0.5196581919305892
Energy: 0.5226098836096537
Energy: 0.4811172204923152
Energy: 0.5190864251049682
Energy: 0.4811172204923152
Energy: 0.5207455504801287
Energy: 0.4821124749894781
Energy: 0.4550137427879451
Energy: 0.48211247499102344
Energy: 0.527707428985266
Energy: 0.47977359602730346
Energy: 0.4492372108100076
Energy: 0.4797735960288487
Energy: 0.5795146625737917
Energy: 0.4831007463872766
Energy: 0.5241246450761593
Energy: 0.4831007463872766

minimum gb energy = 0.4492372108100076 eV
minimum distance =  2.60820956283857 Angstroms
sigma value = 9


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

Energy: 0.6451213580195333
Energy: 0.5436720162371056
Energy: 0.5771410905826019
Energy: 0.5436720162365336
Energy: 0.5148939060976363
Energy: 0.489354007224613
Energy: 0.5815999972131343
Energy: 0.4893540072251849
Energy: 0.49006987920226897
Energy: 0.4896927656687286
Energy: 0.5998277520728716
Energy: 0.4896927656687286
Energy: 0.4898095074926396
Energy: 0.4895997578337659
Energy: 0.6108778014794078
Energy: 0.48959975783262205
Energy: 0.4883789316165146
Energy: 0.4884385571977875
Energy: 0.6177627982386622
Energy: 0.4884385571989314
Energy: 0.4887171328601526
Energy: 0.48877692345458773
Energy: 0.6179986570735276
Energy: 0.48877692345401574
Energy: 0.5781706128434679
Energy: 0.5747721984599751
Energy: 0.579335608770843
Energy: 0.5747721984605471
Energy: 0.5810497870866537
Energy: 0.5392397662256023
Energy: 0.575024882041031
Energy: 0.5392397662256023
Energy: 0.5138659624893182
Energy: 0.5444164097841232
Energy: 0.522721408461538
Energy: 0.5444164097846952
Energy: 0.48752015955231565
Energy: 0.5267817201020678
Energy: 0.5771732303676678
Energy: 0.5267817201020678
Energy: 0.5132934037074611
Energy: 0.5137574644039866
Energy: 0.5376460212369419
Energy: 0.5137574644034146
Energy: 0.5184210469531895
Energy: 0.5449033983307859
Energy: 0.6110100297450616
Energy: 0.5449033983302141
Energy: 0.579276485473064
Energy: 0.5141647427162224
Energy: 0.520038737570826
Energy: 0.5141647427156504
Energy: 0.5799279422362753
Energy: 0.5142551731328242
Energy: 0.5152511154578986
Energy: 0.5142551731322523
Energy: 0.5747759264197484
Energy: 0.5267473375196505
Energy: 0.5177075127374562
Energy: 0.5267473375167908
Energy: 0.5556764861642632
Energy: 0.545973661558401
Energy: 0.518406369245141
Energy: 0.5459736615589729
Energy: 0.5789094532912086
Energy: 0.49162101453336104
Energy: 0.514758471056914
Energy: 0.49162101453164514
Energy: 0.5761013411212458
Energy: 0.5762633117176654
Energy: 0.6439991789582551
Energy: 0.5762633117188093
Energy: 0.5876608328342815
Energy: 0.48892749209370356
Energy: 0.5155559982013893
Energy: 0.48892749209370356
Energy: 0.6032151982118665
Energy: 0.490343267284412
Energy: 0.4902660750783188
Energy: 0.490343267284412
Energy: 0.5825660948915728
Energy: 0.48928163603058583
Energy: 0.48916726903069
Energy: 0.48928163603115776
Energy: 0.6185188830121983
Energy: 0.48832788266028093
Energy: 0.4879752940704561
Energy: 0.488327882659709
Energy: 0.6174840372773
Energy: 0.4887634904653202
Energy: 0.4887155787382249
Energy: 0.4887634904636044
Energy: 0.5802593111435871
Energy: 0.5742174188989705
Energy: 0.5786134257945347
Energy: 0.5742174188995425
Energy: 0.5748914368504164
Energy: 0.5755667403890223
Energy: 0.5841434304377433
Energy: 0.5755667403884503
Energy: 0.5209831395769209
Energy: 0.5439166695705242
Energy: 0.5134420752278079
Energy: 0.5439166695710962
Energy: 0.5786990385082595
Energy: 0.5273352258550185
Energy: 0.48763212003600687
Energy: 0.5273352258538746
Energy: 0.5388431460915749
Energy: 0.5143675284947747
Energy: 0.5130325590947564
Energy: 0.5143675284947747
Energy: 0.6125979313609488
Energy: 0.5154963666730442
Energy: 0.5180807843928742
Energy: 0.5154963666741621
Energy: 0.520815417409684
Energy: 0.5148540351102283
Energy: 0.5790239061139328
Energy: 0.5148540351108003
Energy: 0.515946059286478
Energy: 0.5142366606350136
Energy: 0.5841899719069791
Energy: 0.5142366606344416
Energy: 0.5164242894993001
Energy: 0.5121674254229581
Energy: 0.5751460692475714
Energy: 0.5121674254218143
Energy: 0.5194000542244839
Energy: 0.5477979744782516
Energy: 0.5387338210001644
Energy: 0.5477979744782516
Energy: 0.5140739984458408
Energy: 0.4907181334287757
Energy: 0.5399341372092455
Energy: 0.49071813342820375
Energy: 0.6111979054083339
Energy: 0.5755907114314921
Energy: 0.5754481526817754
Energy: 0.5755907114309202

minimum gb energy = 0.48752015955231565 eV
minimum distance =  2.58271399793033 Angstroms
sigma value = 73


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

Energy: 0.6752340614785294
Energy: 0.5145862638543196
Energy: 0.5530968641654761
Energy: 0.5145862638534122
Energy: 0.5159281189423055
Energy: 0.49457198806784464
Energy: 0.54890213654784
Energy: 0.49457198806784464
Energy: 0.4936523110962714
Energy: 0.49424193545947337
Energy: 0.5790480924442033
Energy: 0.49424193545765854
Energy: 0.4926411150914147
Energy: 0.49383921936559
Energy: 0.6014510350271715
Energy: 0.49383921936468267
Energy: 0.494084292421983
Energy: 0.49478395169612355
Energy: 0.5750721227465148
Energy: 0.494783951697031
Energy: 0.49669867978128696
Energy: 0.4951107536559481
Energy: 0.5869368305381819
Energy: 0.49511075365685553
Energy: 0.5271760443870791
Energy: 0.5633495085351424
Energy: 0.5701946201570123
Energy: 0.5633495085351424
Energy: 0.517773398950137
Energy: 0.5644803227637274
Energy: 0.5632629585457237
Energy: 0.5644803227637274
Energy: 0.514126104273666
Energy: 0.547125792963132
Energy: 0.5653122526168054
Energy: 0.547125792963132
Energy: 0.5178620103741332
Energy: 0.5082340847704722
Energy: 0.5631436763223178
Energy: 0.5082340847704722
Energy: 0.5142110793376325
Energy: 0.485233081329366
Energy: 0.48744391594322223
Energy: 0.4852330813257362
Energy: 0.5110103734149103
Energy: 0.48479716166190984
Energy: 0.607321668930078
Energy: 0.48479716166190984
Energy: 0.5669083066908728
Energy: 0.5193842709583386
Energy: 0.5102666569269101
Energy: 0.5193842709583386
Energy: 0.5650153041131387
Energy: 0.5147358239070541
Energy: 0.5107213490171341
Energy: 0.5147358239061673
Energy: 0.5716581820404766
Energy: 0.5118131321035999
Energy: 0.5090431994632065
Energy: 0.5118131321045073
Energy: 0.601826330400487
Energy: 0.5097763718666702
Energy: 0.509518470335606
Energy: 0.5097763718666702
Energy: 0.5876639908327576
Energy: 0.5433248776982172
Energy: 0.5114294637151533
Energy: 0.5433248776982172
Energy: 0.5541934526961512
Energy: 0.5530964612996235
Energy: 0.546841473840466
Energy: 0.5530964612996235
Energy: 0.548152057744683
Energy: 0.5292996393410373
Energy: 0.517422047507093
Energy: 0.5292996393419447
Energy: 0.5567831679060334
Energy: 0.5263307666025978
Energy: 0.5468563945495244
Energy: 0.5263307666016903
Energy: 0.5483147081028286
Energy: 0.5275223412113645
Energy: 0.5147079993075026
Energy: 0.5275223412131794
Energy: 0.5744912090156514
Energy: 0.5470939861628931
Energy: 0.5462495647551728
Energy: 0.5470939861619857

minimum gb energy = 0.48479716166190984 eV
minimum distance =  2.55497932078712 Angstroms
sigma value = 7


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

Energy: 0.7714647029250333
Energy: 0.49894702331622365
Energy: 0.5567163463167351
Energy: 0.49894702331109037
Energy: 0.5377850750860095
Energy: 0.4973355568707411
Energy: 0.5452120100469232
Energy: 0.4973355568662496
Energy: 0.4933707072596337
Energy: 0.4944087475930129
Energy: 0.5429226061649878
Energy: 0.49440874759429626
Energy: 0.49350977066904833
Energy: 0.49410767356162727
Energy: 0.5957932906272917
Energy: 0.49410767356483554
Energy: 0.494444225025718
Energy: 0.494783048570989
Energy: 0.5820428092663685
Energy: 0.4947830485729139
Energy: 0.4960083579404894
Energy: 0.49640236753047895
Energy: 0.5812003531626254
Energy: 0.4964023675311205
Energy: 0.5421618329863117
Energy: 0.4939004691375751
Energy: 0.4954121356989863
Energy: 0.49390046913821684
Energy: 0.543297624258951
Energy: 0.4970004137921055
Energy: 0.49630217385392955
Energy: 0.49700041379082227
Energy: 0.5951445170568314
Energy: 0.4949116631579955
Energy: 0.4945059464571941
Energy: 0.49491166316056207
Energy: 0.5882147474617921
Energy: 0.4952801926055754
Energy: 0.49453085107869543
Energy: 0.4952801926075003
Energy: 0.5455340951447267
Energy: 0.5430741079047249
Energy: 0.4940579783343688
Energy: 0.5430741079047249
Energy: 0.5439072791316825
Energy: 0.5446991882064304
Energy: 0.5411866954491553
Energy: 0.5446991882045055
Energy: 0.5414306759693963
Energy: 0.5234262746772536
Energy: 0.5440277805865374
Energy: 0.5234262746734036
Energy: 0.5419828680889128
Energy: 0.5227014795678848
Energy: 0.4982904685477371
Energy: 0.522701479569168
Energy: 0.5442996397869068
Energy: 0.5232163977204591
Energy: 0.4982306961328103
Energy: 0.5232163977191757
Energy: 0.49856555396983326
Energy: 0.5413628723122886
Energy: 0.5440421391380531
Energy: 0.5413628723110345
Energy: 0.49849800481243733
Energy: 0.5430584022377395
Energy: 0.5458064063210583
Energy: 0.5430584022377395
Energy: 0.4946608109128508
Energy: 0.4950883026878034
Energy: 0.543596049243877
Energy: 0.495088302688445
Energy: 0.4945419243315262
Energy: 0.4952296355988037
Energy: 0.5447560474886433
Energy: 0.49522963559367045
Energy: 0.49652741770722864
Energy: 0.4970173397078892
Energy: 0.49983322020241816
Energy: 0.4970173397098142
Energy: 0.49559566334416333
Energy: 0.49390052584744276
Energy: 0.5840723966822067
Energy: 0.49390052583845956
Energy: 0.5433718328188789
Energy: 0.49618498511110987
Energy: 0.49554853694720624
Energy: 0.4961849851066182
Energy: 0.5427985596185291
Energy: 0.49495056247209723
Energy: 0.49381949987473495
Energy: 0.4949505624752763
Energy: 0.5957243487178421
Energy: 0.4941439737232266
Energy: 0.49327698143308546
Energy: 0.4941439737238683
Energy: 0.5868521222281223
Energy: 0.49439145154894715
Energy: 0.4936041362374563
Energy: 0.49439145155215547
Energy: 0.5818539073699622
Energy: 0.4962426529826149
Energy: 0.49447965373102165
Energy: 0.49624265298069
Energy: 0.5564786909453799
Energy: 0.5562572976683694
Energy: 0.6792184472356436
Energy: 0.5562572976677278
Energy: 0.5419521783611938
Energy: 0.5255721960244097
Energy: 0.5449353113285987
Energy: 0.5255721960231264
Energy: 0.5435672806740198
Energy: 0.5230588359424907
Energy: 0.5417905082330111
Energy: 0.5230588359424907
Energy: 0.5457055390345229
Energy: 0.5266127977477051
Energy: 0.49793542943879177
Energy: 0.5266127977470635
Energy: 0.4986213748884168
Energy: 0.5439006679331374
Energy: 0.5437819514864906
Energy: 0.543900667933779

minimum gb energy = 0.49327698143308546 eV
minimum distance =  2.55230259409839 Angstroms
sigma value = 29


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

Energy: 0.4591740144737154
Energy: 0.4600881306156725
Energy: 0.5175899027353723
Energy: 0.4600881306156725
Energy: 0.462970908392211
Energy: 0.5019609782194333
Energy: 0.4697609257443645
Energy: 0.5019609782185392
Energy: 0.46667668480475866
Energy: 0.4932519348634216
Energy: 0.46108670147691977
Energy: 0.4932519348634216
Energy: 0.4637293475432355
Energy: 0.4681254037666699
Energy: 0.46709043327530214
Energy: 0.46812540376602413
Energy: 0.4661630005713798
Energy: 0.46973488704116495
Energy: 0.4627479773175259
Energy: 0.46973488704116495
Energy: 0.4676256814593447
Energy: 0.4973419159447768
Energy: 0.46366984539658873
Energy: 0.4973419159450002
Energy: 0.4609035182645453
Energy: 0.4931515767937482
Energy: 0.46796089125766105
Energy: 0.4931515767937482
Energy: 0.46875525288703584
Energy: 0.4702616432604994
Energy: 0.46616435539722506
Energy: 0.47026164325066505
Energy: 0.46239824377850985
Energy: 0.4687312515178513
Energy: 0.4688133638672113
Energy: 0.46873125151872047

minimum gb energy = 0.4591740144737154 eV
minimum distance =  2.57943156610138 Angstroms
sigma value = 5


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

Energy: 0.6609090949480989
Energy: 0.4559907023124496
Energy: 0.5304561448611866
Energy: 0.4559907023100251
Energy: 0.5036088258261637
Energy: 0.46320200422088204
Energy: 0.540492064880872
Energy: 0.4632020042166392
Energy: 0.5428352321146729
Energy: 0.4974595725792271
Energy: 0.542972792378001
Energy: 0.4974595725780148
Energy: 0.506778138650755
Energy: 0.4994168112028144
Energy: 0.5256022652764837
Energy: 0.49941681120099607
Energy: 0.5033986407409549
Energy: 0.4621461661584803
Energy: 0.5095151277264234
Energy: 0.4621461661620895
Energy: 0.46253138762452506
Energy: 0.46343421177260813
Energy: 0.5096909898589589
Energy: 0.4634342117732142
Energy: 0.4612923690183391
Energy: 0.46121375706442624
Energy: 0.5260321388542564
Energy: 0.4612137570668508
Energy: 0.46828000591115665
Energy: 0.4635870161839183
Energy: 0.5784627168819496
Energy: 0.46358701618331216
Energy: 0.5226451273272598
Energy: 0.477403640845113
Energy: 0.5738914735399806
Energy: 0.47740364084026404
Energy: 0.5804459511715049
Energy: 0.4559509370692926
Energy: 0.45875910954226434
Energy: 0.455950937066868
Energy: 0.5215715820350524
Energy: 0.4538007006152962
Energy: 0.45514729525991376
Energy: 0.45380070061469
Energy: 0.5761482875913795
Energy: 0.4576980497037027
Energy: 0.45625872184794175
Energy: 0.4576980497018843
Energy: 0.5767066184384032
Energy: 0.45361628422967365
Energy: 0.4600807095696338
Energy: 0.4536162842284614
Energy: 0.4802803720732479
Energy: 0.4491008388690896
Energy: 0.5756708340701001
Energy: 0.4491008388721202
Energy: 0.4884369075040025
Energy: 0.4507434660798997
Energy: 0.574161562960448
Energy: 0.45074346608171806
Energy: 0.4895826283490296
Energy: 0.4484472013135194
Energy: 0.4709739875762112
Energy: 0.44844720131230714
Energy: 0.4878504920058921
Energy: 0.44895556521410285
Energy: 0.4699214813414451
Energy: 0.44895556521410285
Energy: 0.5612002458828934
Energy: 0.4500251025341773
Energy: 0.47086578833232606
Energy: 0.45002510253056816
Energy: 0.574746766031662
Energy: 0.48551016955350546
Energy: 0.47789825147281506
Energy: 0.4855101695541115
Energy: 0.5435009733934135
Energy: 0.5187489140893181
Energy: 0.5065982368886379
Energy: 0.5187489140868936
Energy: 0.5096769262265705
Energy: 0.46841365518690503
Energy: 0.47152696532120414
Energy: 0.46841365518508665
Energy: 0.5092023717488798
Energy: 0.46517748436146694
Energy: 0.4647679855339843
Energy: 0.4651774843596486
Energy: 0.5437871459065491
Energy: 0.46419197351053454
Energy: 0.46490690373980254
Energy: 0.46419197351114067
Energy: 0.5769160306400677
Energy: 0.4657365976841218
Energy: 0.4695211837931318
Energy: 0.46573659768715236
Energy: 0.5741724503715796
Energy: 0.5099035393641131
Energy: 0.4741129990805669
Energy: 0.5099035393665374
Energy: 0.4573842087283097
Energy: 0.45228431695564564
Energy: 0.5804821411418295
Energy: 0.45228431695200894
Energy: 0.4547834440997293
Energy: 0.45179989807067444
Energy: 0.48318268963866307
Energy: 0.4517998980724928
Energy: 0.45395235272242523
Energy: 0.45213600451930935
Energy: 0.47603694320266426
Energy: 0.452136004515094
Energy: 0.4512901725404117
Energy: 0.45139441552877513
Energy: 0.577787894750121
Energy: 0.45139441553241183
Energy: 0.5741585005903378
Energy: 0.47483469825850866
Energy: 0.4734080221265332
Energy: 0.4748346982560842
Energy: 0.5744132391037688
Energy: 0.46189334929301
Energy: 0.4635122035587999
Energy: 0.4618933492948284
Energy: 0.5308387918325692
Energy: 0.461445433212766
Energy: 0.46343651801432434
Energy: 0.461445433212766
Energy: 0.46577562351383867
Energy: 0.46125729222151535
Energy: 0.46175356420092645
Energy: 0.46125729222515205

minimum gb energy = 0.44844720131230714 eV
minimum distance =  2.54670788121285 Angstroms
sigma value = 1


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

Energy: 0.6537384804366162
Energy: 0.4236598327867837
Energy: 0.5102646876114396
Energy: 0.42365983278510755
Energy: 0.44932443189832705
Energy: 0.4378438761844759
Energy: 0.5294398947895409
Energy: 0.43784387618112364
Energy: 0.5296856919975582
Energy: 0.48270619410177973
Energy: 0.5319989148739198
Energy: 0.4827061941026178
Energy: 0.4476225899218355
Energy: 0.4832355281802074
Energy: 0.5247503998238295
Energy: 0.4832355281810455
Energy: 0.43733594911666146
Energy: 0.4362774763137492
Energy: 0.5284930371442478
Energy: 0.43627747631626335
Energy: 0.43646848613659645
Energy: 0.4381451845513478
Energy: 0.5285113613835383
Energy: 0.438145184553024
Energy: 0.43498231049590314
Energy: 0.43591857384976385
Energy: 0.5253445187386772
Energy: 0.435918573850602
Energy: 0.44211907328333167
Energy: 0.43872508370587143
Energy: 0.5985521811418556
Energy: 0.43872508370587143
Energy: 0.5262489036288688
Energy: 0.45969754709589283
Energy: 0.5985598273298322
Energy: 0.45969754709421673
Energy: 0.5495179572096955
Energy: 0.4395379662960937
Energy: 0.448191630108104
Energy: 0.4395379662994459
Energy: 0.5259031537913893
Energy: 0.4357146732308183
Energy: 0.43528720989318914
Energy: 0.43571467322914215
Energy: 0.6010027068313161
Energy: 0.4402731016892584
Energy: 0.43640970380776867
Energy: 0.44027310169009654
Energy: 0.5966695276917845
Energy: 0.4362084246568614
Energy: 0.43657783758253366
Energy: 0.4362084246568614
Energy: 0.5246887400796264
Energy: 0.4828730731641946
Energy: 0.5308547174673174
Energy: 0.48287307316670874
Energy: 0.4498401939096297
Energy: 0.4822373734721791
Energy: 0.5297522222532896
Energy: 0.48223737347469325
Energy: 0.4516059130159072
Energy: 0.4369999512072915
Energy: 0.5246836188856288
Energy: 0.4369999512056154
Energy: 0.4365542821113481
Energy: 0.43703642140063154
Energy: 0.5398375554602209
Energy: 0.4370364214031458
Energy: 0.44045739705986264
Energy: 0.43887559126451653
Energy: 0.5239289901746083
Energy: 0.43887559126870684
Energy: 0.43526607960707087
Energy: 0.4363076885028843
Energy: 0.6025558503284075
Energy: 0.4363076885028843
Energy: 0.4369910455396766
Energy: 0.44228409874983193
Energy: 0.5984777963005165
Energy: 0.44228409874983193
Energy: 0.5288313443637722
Energy: 0.45640060297032414
Energy: 0.43731160672597
Energy: 0.45640060297200025
Energy: 0.5295078809338003
Energy: 0.4369787097993017
Energy: 0.43852435954282376
Energy: 0.43697870980013975
Energy: 0.5253239521196968
Energy: 0.43578251764464604
Energy: 0.43602878646790155
Energy: 0.4357825176454841
Energy: 0.5965000095866309
Energy: 0.4362577954430748
Energy: 0.4363576265457251
Energy: 0.43625779543804644

minimum gb energy = 0.42365983278510755 eV
minimum distance =  2.5679156643471 Angstroms
sigma value = 17


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

Energy: 0.6977569229936446
Energy: 0.42690897048665255
Energy: 0.5141442482621403
Energy: 0.42690897048717047
Energy: 0.46180096433577644
Energy: 0.43601736201764635
Energy: 0.49399561136331244
Energy: 0.4360173620197183
Energy: 0.5405989796052356
Energy: 0.4378111876911166
Energy: 0.503273748453179
Energy: 0.4378111876911166
Energy: 0.5638316166803108
Energy: 0.45683103352942966
Energy: 0.4902697036983832
Energy: 0.45683103352839366
Energy: 0.48285640803101404
Energy: 0.42624172934227333
Energy: 0.4996351393174439
Energy: 0.4262417293438273
Energy: 0.4264315132899496
Energy: 0.42600956564088016
Energy: 0.5631127636791089
Energy: 0.42600956564036213
Energy: 0.42621102947541184
Energy: 0.4259897054117967
Energy: 0.4905239072619119
Energy: 0.4259897054123147
Energy: 0.43057028572273026
Energy: 0.42730848118485243
Energy: 0.43048895060987197
Energy: 0.4273084811843344
Energy: 0.5581744343079511
Energy: 0.42761592398094156
Energy: 0.5403571422647101
Energy: 0.4276159239783516
Energy: 0.5031500019822627
Energy: 0.45872115981266887
Energy: 0.5004585964318867
Energy: 0.4587211598105969
Energy: 0.556773485361601
Energy: 0.43398378711050206
Energy: 0.4402346149836091
Energy: 0.43398378710843016
Energy: 0.5607534458326189
Energy: 0.4366187775714301
Energy: 0.4906842814101788
Energy: 0.43661877757194806
Energy: 0.5633240194890987
Energy: 0.43376011356693017
Energy: 0.4344205696551387
Energy: 0.4337601135664122
Energy: 0.4350708304948943
Energy: 0.4338289297196886
Energy: 0.434583315650044
Energy: 0.4338289297196886
Energy: 0.5621983878120351
Energy: 0.4355079482444551
Energy: 0.43816259460066354
Energy: 0.435507948244973
Energy: 0.5825787232477759
Energy: 0.4343416141273323
Energy: 0.4362783674439424
Energy: 0.4343416141273323
Energy: 0.4344819353794072
Energy: 0.4878512478338391
Energy: 0.4994170709632529
Energy: 0.48785124783280315
Energy: 0.4340656092272103
Energy: 0.43402816586387505
Energy: 0.5586666119385881
Energy: 0.43402816586698295
Energy: 0.4419686809510022
Energy: 0.4371431992029804
Energy: 0.4916632794533636
Energy: 0.4371431992045343
Energy: 0.43483088441837386
Energy: 0.43406178076476354
Energy: 0.4317084862508649
Energy: 0.43406178076476354
Energy: 0.5053536618102943
Energy: 0.4350884680543504
Energy: 0.43515224884670745
Energy: 0.43508846805279644
Energy: 0.503766070547653
Energy: 0.4363348955174386
Energy: 0.5623716888588216
Energy: 0.43633489551795657
Energy: 0.4901218163076927
Energy: 0.4559043079519206
Energy: 0.5625587699001121
Energy: 0.4559043079519206
Energy: 0.5009295122400766
Energy: 0.4269311723539171
Energy: 0.48282121351360235
Energy: 0.42693117235547107
Energy: 0.5607101282767848
Energy: 0.4263633564463177
Energy: 0.4258975444992612
Energy: 0.42636335644528167
Energy: 0.4910662662333385
Energy: 0.426329138213729
Energy: 0.4281630075424301
Energy: 0.42632913821113905
Energy: 0.4306860573482462
Energy: 0.4274812470142986
Energy: 0.4315742326969259
Energy: 0.4274812470158526
Energy: 0.4919133538025149
Energy: 0.4274055321007997
Energy: 0.5600289696880014
Energy: 0.4274055321023537
Energy: 0.4959649378964041
Energy: 0.4591936527109653
Energy: 0.5028240236678259
Energy: 0.45919365270992935
Energy: 0.4407196747185678
Energy: 0.43407165747691573
Energy: 0.5557920176605445
Energy: 0.43407165747795173
Energy: 0.49064303881343263
Energy: 0.4339599977372838
Energy: 0.5629161795908346
Energy: 0.4339599977388377
Energy: 0.4340310933727522
Energy: 0.43408187191551134
Energy: 0.5639635272431778
Energy: 0.4340818719181012
Energy: 0.43368815165371477
Energy: 0.43349725002608175
Energy: 0.4354586692169069
Energy: 0.43349725002608175
Energy: 0.44046197242294677
Energy: 0.43653570422267857
Energy: 0.5634254490613776
Energy: 0.43653570422267857
Energy: 0.4378361207300153
Energy: 0.4470278344208524
Energy: 0.5794969243468794
Energy: 0.44702783441981647
Energy: 0.6322197936109053
Energy: 0.4377307908928071
Energy: 0.4349048284186965
Energy: 0.4377307908886632
Energy: 0.557179208039489
Energy: 0.4338051867318862
Energy: 0.43393581310693746
Energy: 0.4338051867329222
Energy: 0.5407339441147344
Energy: 0.4375595296329119
Energy: 0.4352088284749059
Energy: 0.4375595296313579

minimum gb energy = 0.4258975444992612 eV
minimum distance =  2.56872556579091 Angstroms
sigma value = 89


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

Energy: 0.7306547953635177
Energy: 0.4053957696619467
Energy: 0.39521191978391473
Energy: 0.40539576966330193
Energy: 0.3942202886251705
Energy: 0.43140922953759603
Energy: 0.39815423665494315
Energy: 0.43140922953759603
Energy: 0.39093433175975767
Energy: 0.431496887606936
Energy: 0.402883557304064
Energy: 0.431496887606936
Energy: 0.3915573862062674
Energy: 0.43207373075982175
Energy: 0.39384210107588724
Energy: 0.43207373075982175
Energy: 0.3932383700762709
Energy: 0.3935015962788992
Energy: 0.40006015399876393
Energy: 0.39350159628025455
Energy: 0.3941756388554818
Energy: 0.3929585260917836
Energy: 0.39936677765504935
Energy: 0.3929585260931389
Energy: 0.3931622274681175
Energy: 0.3923951042844581
Energy: 0.3945334647844812
Energy: 0.3923951042858135
Energy: 0.39517887364836274
Energy: 0.3951523946161711
Energy: 0.3903754526169386
Energy: 0.3951523946161711
Energy: 0.39566152633109797
Energy: 0.39490737537681986
Energy: 0.39589829979759433
Energy: 0.39490737537681986
Energy: 0.40521628521236663
Energy: 0.4335322445744177
Energy: 0.40440436288548487
Energy: 0.4335322445744177
Energy: 0.3943509887850098
Energy: 0.42784335355478104
Energy: 0.3897120839995089
Energy: 0.4278433535534257
Energy: 0.3989678005182424
Energy: 0.396187277553766
Energy: 0.394843733971915
Energy: 0.396187277553766
Energy: 0.40084259768345026
Energy: 0.39400708226660397
Energy: 0.3939163326192178
Energy: 0.39400708226660397
Energy: 0.3947209715291893
Energy: 0.3921874877374818
Energy: 0.39238707620921165
Energy: 0.39218748773883716
Energy: 0.3904754717231721
Energy: 0.39368237127951106
Energy: 0.39520542000751097
Energy: 0.39368237127951106

minimum gb energy = 0.3897120839995089 eV
minimum distance =  2.58641240941005 Angstroms
sigma value = 13


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

Energy: 0.6495333599195748
Energy: 0.37348176279695133
Energy: 0.47426529407884116
Energy: 0.3734817627878623
Energy: 0.380572375004326
Energy: 0.3763711534820384
Energy: 0.442893103023853
Energy: 0.3763711534814704
Energy: 0.38796803759552917
Energy: 0.3746732473327919
Energy: 0.444090973521946
Energy: 0.3746732473350642
Energy: 0.5074822943373206
Energy: 0.37890950743922747
Energy: 0.4385396171095695
Energy: 0.37890950743922747
Energy: 0.4413267534187155
Energy: 0.3762754822064151
Energy: 0.5601860073727309
Energy: 0.3762754822041428
Energy: 0.4394672240311374
Energy: 0.3754991826442966
Energy: 0.4438483620230911
Energy: 0.3754991826403201
Energy: 0.445433675105627
Energy: 0.37468087620439294
Energy: 0.43749660967059273
Energy: 0.3746808762015526
Energy: 0.4386707209435183
Energy: 0.37528765517254475
Energy: 0.440429335463031
Energy: 0.37528765517254475
Energy: 0.3738554827566803
Energy: 0.37646506367226334
Energy: 0.5212075242118286
Energy: 0.37646506367396754
Energy: 0.3744182961214645
Energy: 0.37499426140711917
Energy: 0.4390819758581034
Energy: 0.374994261405415
Energy: 0.375825468469851
Energy: 0.37514928714212353
Energy: 0.6496077755714991
Energy: 0.37514928714950835
Energy: 0.4441963011235631
Energy: 0.3746386180813957
Energy: 0.43971078048795537
Energy: 0.37463861808594023
Energy: 0.4521783946936295
Energy: 0.3957272274945722
Energy: 0.5162826790646047
Energy: 0.39572722748945965
Energy: 0.43895241211407443
Energy: 0.3963273676418739
Energy: 0.5078939931023243
Energy: 0.39632736764755455
Energy: 0.44212551981885856
Energy: 0.37731804783440853
Energy: 0.43923115017929687
Energy: 0.3773180478315682
Energy: 0.44150360753087126
Energy: 0.3759359536194083
Energy: 0.37801942039725145
Energy: 0.3759359536194083
Energy: 0.4392963207390127
Energy: 0.3749310708472729
Energy: 0.3762227712046475
Energy: 0.3749310708489771
Energy: 0.6143396044071329
Energy: 0.37593362042102657
Energy: 0.3758504473431134
Energy: 0.3759336204193224
Energy: 0.5060493480448766
Energy: 0.37836231180095997
Energy: 0.4366547421243531
Energy: 0.3783623117992558
Energy: 0.518913221603247
Energy: 0.3742556705846416
Energy: 0.44255292613401903
Energy: 0.3742556705852097
Energy: 0.5077341324923366
Energy: 0.3751239203803514
Energy: 0.43711976395106783
Energy: 0.37512392037978337
Energy: 0.5186135378648707
Energy: 0.4013640318250248
Energy: 0.5159317966109727
Energy: 0.40136403182161634
Energy: 0.4399624586114056
Energy: 0.37690343639905144
Energy: 0.5609598778718822
Energy: 0.37690343639734725
Energy: 0.37725111983158005
Energy: 0.3743868952119363
Energy: 0.4389412341765291
Energy: 0.3743868952079598
Energy: 0.4379986941372886
Energy: 0.37518406890324285
Energy: 0.4462193037230869
Energy: 0.37518406890665124
Energy: 0.3751798944037851
Energy: 0.3743810266671586
Energy: 0.44497918724867297
Energy: 0.37438102667283923
Energy: 0.3743378046781653
Energy: 0.37420328879009
Energy: 0.515735386193874
Energy: 0.3742032887917942
Energy: 0.37456962111038467
Energy: 0.3762267371357985
Energy: 0.3777043598921375
Energy: 0.3762267371369346
Energy: 0.5158905408107385
Energy: 0.374789547938781
Energy: 0.5070182454194676
Energy: 0.3747895479410532
Energy: 0.44230953315499216
Energy: 0.3969531515964887
Energy: 0.5140789970652391
Energy: 0.3969531515925122
Energy: 0.43942279488200425
Energy: 0.3953714753558132
Energy: 0.5082032203607728
Energy: 0.39537147535808553
Energy: 0.44098863277896494
Energy: 0.3755347053584258
Energy: 0.5146557273763818
Energy: 0.375534705359562
Energy: 0.44155447013786164
Energy: 0.3775426702241664
Energy: 0.3833133594440166
Energy: 0.3775426702173495
Energy: 0.5151027091546737
Energy: 0.37417120672630927
Energy: 0.3746063207621875
Energy: 0.3741712067257412
Energy: 0.49478984103055923
Energy: 0.37521324007179974
Energy: 0.37740912572509144
Energy: 0.37521324006671297

minimum gb energy = 0.3734817627878623 eV
minimum distance =  2.57767762074807 Angstroms
sigma value = 37


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

Energy: 0.62978718265234
Energy: 0.3434448929761289
Energy: 0.4504911022113796
Energy: 0.3434448929751515
Energy: 0.5068581608196755
Energy: 0.34776470835360385
Energy: 0.45870306780473724
Energy: 0.3477647083526265
Energy: 0.503557477066786
Energy: 0.34689622046805485
Energy: 0.45591028222242624
Energy: 0.34689622046805485
Energy: 0.5050454213690931
Energy: 0.39005759230454057
Energy: 0.4553482765847442
Energy: 0.3900575923064952
Energy: 0.4460074698763027
Energy: 0.33964547566899145
Energy: 0.5047102406592189
Energy: 0.3396454756680141
Energy: 0.3989250031693701
Energy: 0.3391815962590828
Energy: 0.5004862544590651
Energy: 0.3391815962581054
Energy: 0.39719214189600144
Energy: 0.34154388915210504
Energy: 0.5494900965515702
Energy: 0.3415438891501504
Energy: 0.3994142417750048
Energy: 0.33878324823879596
Energy: 0.5073553680005015
Energy: 0.3387832482378186
Energy: 0.3931995493180117
Energy: 0.33976122332682135
Energy: 0.5056026518801974
Energy: 0.33976122332682135
Energy: 0.39342121775900346
Energy: 0.33724140630838517
Energy: 0.548797343735288
Energy: 0.33724140630740784
Energy: 0.41508358122111544
Energy: 0.4149610880467012
Energy: 0.5654019835992906
Energy: 0.4149610880476785
Energy: 0.500124960072504
Energy: 0.33716369580049493
Energy: 0.5489581287610155
Energy: 0.3371636957995176
Energy: 0.5021480800627903
Energy: 0.33676863272215046
Energy: 0.5036779680907262
Energy: 0.33676863272117313
Energy: 0.5032201909428039
Energy: 0.3779691450619548
Energy: 0.5049425813138543
Energy: 0.37796914505902274
Energy: 0.5047102406601962
Energy: 0.3821683578181824
Energy: 0.44763271865855514
Energy: 0.3821683578152504
Energy: 0.5488334154633863
Energy: 0.37708292001645694
Energy: 0.39423292767826595
Energy: 0.37708292001741206
Energy: 0.5495508965577799
Energy: 0.3763673969399245
Energy: 0.3972920464791937
Energy: 0.37636739693894716
Energy: 0.5073553655435846
Energy: 0.35190982016843664
Energy: 0.3516660065715799
Energy: 0.35190982016745925
Energy: 0.5056026527750394
Energy: 0.34881887765938363
Energy: 0.3476844031803711
Energy: 0.34881887765938363
Energy: 0.5017647820529155
Energy: 0.34804798951963334
Energy: 0.3512581664128822
Energy: 0.34804798951865606

minimum gb energy = 0.33676863272117313 eV
minimum distance =  2.57313438447597 Angstroms
sigma value = 25


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

Energy: 0.6659752952924062
Energy: 0.30558958419674903
Energy: 0.4165448995145944
Energy: 0.30558958419369636
Energy: 0.6137874910208265
Energy: 0.3026817856477505
Energy: 0.3887698793736161
Energy: 0.3026817856485136
Energy: 0.6106427341538545
Energy: 0.3021355202525351
Energy: 0.3909266271960054
Energy: 0.3021355202525351
Energy: 0.4736625028082796
Energy: 0.3033371136032562
Energy: 0.3948358480748507
Energy: 0.3033371136002036
Energy: 0.5493296040529435
Energy: 0.334710056203208
Energy: 0.5469124459252601
Energy: 0.334710056203208
Energy: 0.47520105861400325
Energy: 0.33327286052111305
Energy: 0.544140231700703
Energy: 0.3332728605218763
Energy: 0.47485726022850655
Energy: 0.3346964092705666
Energy: 0.5475235375071372
Energy: 0.3346964092705666
Energy: 0.3951177531095568
Energy: 0.30317927710982717
Energy: 0.5467375374913833
Energy: 0.30317927710982717
Energy: 0.38994359165607395
Energy: 0.30196493771891053
Energy: 0.6144511410135982
Energy: 0.30196493771891053
Energy: 0.39080691431719505
Energy: 0.30308834082592745
Energy: 0.5435989974155004
Energy: 0.3030883408274538
Energy: 0.3101254737198634
Energy: 0.3033789586219624
Energy: 0.5697714907782858
Energy: 0.30337895861738334
Energy: 0.30397297509514926
Energy: 0.3026286453961708
Energy: 0.6125845870849006
Energy: 0.3026286453976972
Energy: 0.3033675382141383
Energy: 0.3018622016225381
Energy: 0.616324775569592
Energy: 0.3018622016217749
Energy: 0.3086827030064925
Energy: 0.3031819218942612
Energy: 0.6071701344575793
Energy: 0.30318192189502435
Energy: 0.39029188452229807
Energy: 0.30198829660948184
Energy: 0.6105081379961891
Energy: 0.301988296610245
Energy: 0.3935600259872917
Energy: 0.30302841878777514
Energy: 0.6123243015721728
Energy: 0.30302841878777514
Energy: 0.4815788012266186
Energy: 0.30396588479481046
Energy: 0.6147775043690037
Energy: 0.3039658847955736
Energy: 0.38828175427074113
Energy: 0.33572047631401253
Energy: 0.5459911709610425
Energy: 0.33572047631401253
Energy: 0.5437086823827897
Energy: 0.3335844157734493
Energy: 0.47458364747259824
Energy: 0.3335844157726861
Energy: 0.5486399230294441
Energy: 0.33411180513698197
Energy: 0.4748542537165883
Energy: 0.3341118051362188
Energy: 0.5708360553480907
Energy: 0.3044536325566909
Energy: 0.3926134097991978
Energy: 0.3044536325582172
Energy: 0.6121501503319563
Energy: 0.3015790291856525
Energy: 0.30293751399110336
Energy: 0.3015790291848893
Energy: 0.6130627579069275
Energy: 0.3039605410197529
Energy: 0.38862749557901993
Energy: 0.3039605410197529
Energy: 0.5461117971921363
Energy: 0.3036281664710157
Energy: 0.3064743149166565
Energy: 0.30362816647025254
Energy: 0.6108215189681828
Energy: 0.301972871952429
Energy: 0.30207610917202543
Energy: 0.3019728719531922
Energy: 0.6116911053996482
Energy: 0.3029961060810725
Energy: 0.30506342150340426
Energy: 0.3029961060810725

minimum gb energy = 0.3015790291848893 eV
minimum distance =  2.59418231300347 Angstroms
sigma value = 41


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

Energy: 0.7292308523374353
Energy: 0.27992703037590855
Energy: 0.3977224884384816
Energy: 0.27992703037778555
Energy: 0.6511984782983111
Energy: 0.27664783660420633
Energy: 0.3472599283554722
Energy: 0.27664783660295494
Energy: 0.6504369168980422
Energy: 0.2758305777851339
Energy: 0.34888889459717487
Energy: 0.2758305777851339
Energy: 0.5447881014767073
Energy: 0.2774631565074412
Energy: 0.42694556186251453
Energy: 0.2774631565074412
Energy: 0.5423682287255198
Energy: 0.2748749033189334
Energy: 0.48134851494577235
Energy: 0.2748749033183077
Energy: 0.540028012977101
Energy: 0.372278066887023
Energy: 0.48027495312099955
Energy: 0.3722780668863973
Energy: 0.5430925883297145
Energy: 0.3024944428528537
Energy: 0.5424396840101311
Energy: 0.3024944428509767
Energy: 0.48537686341608877
Energy: 0.30524417632954876
Energy: 0.4804139964367191
Energy: 0.3052441763308001
Energy: 0.4175074266941751
Energy: 0.37164105785316004
Energy: 0.5945583329874807
Energy: 0.37164105785316004
Energy: 0.41837821262612984
Energy: 0.2748708397994667
Energy: 0.5429128679079538
Energy: 0.2748708397950869
Energy: 0.3529054370836923
Energy: 0.27859097907421104
Energy: 0.6478505358357023
Energy: 0.2785909790898245
Energy: 0.346939712311784
Energy: 0.27540083740981725
Energy: 0.650036775881262
Energy: 0.27540083740981725
Energy: 0.34765762334014927
Energy: 0.27803901697497935
Energy: 0.651521943470669
Energy: 0.278039016975605
Energy: 0.28069821125144867
Energy: 0.2773276644509225
Energy: 0.5995960655474005
Energy: 0.2773276644502969
Energy: 0.2760999158922405
Energy: 0.2761529477724467
Energy: 0.6491661195350665
Energy: 0.2761529477724467
Energy: 0.27834654337387854
Energy: 0.27667378985423885
Energy: 0.651311193135356
Energy: 0.27667378985298746
Energy: 0.3538043064772482
Energy: 0.27783077704518977
Energy: 0.6543032543181078
Energy: 0.2778307770364303
Energy: 0.345266144035042
Energy: 0.27467754919174947
Energy: 0.649121085598963
Energy: 0.27467754919300086
Energy: 0.34857410783702336
Energy: 0.27765431789918343
Energy: 0.5412083342436028
Energy: 0.2776543178998091
Energy: 0.48087317110553673
Energy: 0.27618160695555444
Energy: 0.540567096361714
Energy: 0.27618160695555444
Energy: 0.4908643163899576
Energy: 0.27524168039319563
Energy: 0.5941235046837635
Energy: 0.27524168039319563
Energy: 0.48128465062885223
Energy: 0.30266400530326276
Energy: 0.5436134434260635
Energy: 0.3026640053051398
Energy: 0.5948499001533816
Energy: 0.3007908316755987
Energy: 0.5385423463070783
Energy: 0.30079083167747567
Energy: 0.4797411157827932
Energy: 0.30274998103209455
Energy: 0.4817624396215182
Energy: 0.3027499810333175
Energy: 0.5938898038842149
Energy: 0.27895635158212984
Energy: 0.41457797315696227
Energy: 0.27895635157962717
Energy: 0.5960998339005756
Energy: 0.27591743907371374
Energy: 0.48121578510950475
Energy: 0.2759174390730881
Energy: 0.5981210822701029
Energy: 0.277902468699929
Energy: 0.3489655016208391
Energy: 0.277902468699929
Energy: 0.649080762111149
Energy: 0.2753980184089874
Energy: 0.34577772117160005
Energy: 0.2753980184096131
Energy: 0.5973878576650494
Energy: 0.27855609088752076
Energy: 0.3509451815999207
Energy: 0.27855609088752076
Energy: 0.59608242989079
Energy: 0.27666988686023963
Energy: 0.2761345924032914
Energy: 0.27666988686149097
Energy: 0.6491715254893693
Energy: 0.275939807326271
Energy: 0.275915362662683
Energy: 0.275939807326271
Energy: 0.6551798650877443
Energy: 0.2768896742402154
Energy: 0.2812204178602913
Energy: 0.2768896742395897

minimum gb energy = 0.27467754919174947 eV
minimum distance =  2.59958077063337 Angstroms
sigma value = 15


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

Energy: 0.6325604051264396
Energy: 0.25926244539036086
Energy: 0.3817198147684381
Energy: 0.25926244539142096
Energy: 0.5809476408811798
Energy: 0.2563175764868265
Energy: 0.31514743649880833
Energy: 0.2563175764868265
Energy: 0.6773133438112637
Energy: 0.2558302576258328
Energy: 0.3172259507124478
Energy: 0.2558302576279529
Energy: 0.5884563831076449
Energy: 0.2574332311094536
Energy: 0.4365521666135797
Energy: 0.2574332311089236
Energy: 0.5835829490396233
Energy: 0.2543456187122189
Energy: 0.4304605246456441
Energy: 0.25434561871009875
Energy: 0.5835660588691275
Energy: 0.2546780215603576
Energy: 0.4309193330510942
Energy: 0.2546780215619477
Energy: 0.4849140187155311
Energy: 0.25939178583803707
Energy: 0.5334119861983022
Energy: 0.2593917858385671
Energy: 0.5372527185431087
Energy: 0.27897552731109937
Energy: 0.43003947372163204
Energy: 0.2789755273153397
Energy: 0.48378707750513017
Energy: 0.27670756470785635
Energy: 0.5323523043789637
Energy: 0.276707564702556
Energy: 0.4830907316149283
Energy: 0.2780512906343896
Energy: 0.5852299673583783
Energy: 0.27805129049874866
Energy: 0.43720347523322906
Energy: 0.26295792305923515
Energy: 0.5393610192406325
Energy: 0.2629579230597652
Energy: 0.37285366231934874
Energy: 0.25440935630501066
Energy: 0.6281674790766179
Energy: 0.2544093563039506
Energy: 0.43175726945605664
Energy: 0.25519248253632715
Energy: 0.6294268734814846
Energy: 0.25519248253738724
Energy: 0.3216577139888253
Energy: 0.2575010321272533
Energy: 0.536795110160956
Energy: 0.2575010321272533
Energy: 0.31483968228627884
Energy: 0.25468020228990673
Energy: 0.675561186061758
Energy: 0.25468020228937666
Energy: 0.3196373004270059
Energy: 0.2567516184904246
Energy: 0.6307194800803507
Energy: 0.2567516184904246
Energy: 0.2594285856764393
Energy: 0.2560728522160172
Energy: 0.6330297214165422
Energy: 0.2560728522134152
Energy: 0.25522563946467675
Energy: 0.2549379467505059
Energy: 0.6749196805227058
Energy: 0.25493794675421616
Energy: 0.2575100864357662
Energy: 0.2593555210485288
Energy: 0.5845986267666353
Energy: 0.25935552105064896
Energy: 0.320415116235576
Energy: 0.25787203870725794
Energy: 0.6815431413051254
Energy: 0.257872038708318
Energy: 0.3129554938083251
Energy: 0.2548181088175952
Energy: 0.6748812664011986
Energy: 0.2548181088175952
Energy: 0.32107943178573073
Energy: 0.25708281370929736
Energy: 0.5869810403067527
Energy: 0.2570828137103574
Energy: 0.4314949101077862
Energy: 0.25525472580511194
Energy: 0.5816003134431581
Energy: 0.2552547258035219
Energy: 0.430536939830539
Energy: 0.2543509013013289
Energy: 0.629424852046403
Energy: 0.254350901333613
Energy: 0.4365284961685749
Energy: 0.2561748871278236
Energy: 0.4884957319893887
Energy: 0.2561748871219931
Energy: 0.5337629080619137
Energy: 0.27810857827472524
Energy: 0.5860844871965548
Energy: 0.27810857827101504
Energy: 0.4298185181023444
Energy: 0.27674712425890424
Energy: 0.533261614520652
Energy: 0.27674712425996434
Energy: 0.5364014050094373
Energy: 0.2789739075980645
Energy: 0.4876015456984068
Energy: 0.2789739075959444
Energy: 0.5354946713866519
Energy: 0.25874254650964945
Energy: 0.533600095941545
Energy: 0.25874254643655276
Energy: 0.5334937652110222
Energy: 0.2546252562133423
Energy: 0.431609518419434
Energy: 0.2546252562154624
Energy: 0.631404064886692
Energy: 0.25491465915961525
Energy: 0.37285680550972006
Energy: 0.2549146591601453
Energy: 0.5370854263929971
Energy: 0.25695552312528025
Energy: 0.4353776947863952
Energy: 0.2569555231242684
Energy: 0.6302797456002949
Energy: 0.25622158192273403
Energy: 0.3174096955592607
Energy: 0.256221581921674
Energy: 0.6275502798265324
Energy: 0.2557986308725956
Energy: 0.3165461605760162
Energy: 0.2557986308747157
Energy: 0.6374322598678572
Energy: 0.25742988683850354
Energy: 0.25990215180333404
Energy: 0.25742988684009366
Energy: 0.6774600246534874
Energy: 0.25701756048124447
Energy: 0.25849980100944453
Energy: 0.2570175604791243
Energy: 0.6758157469410258
Energy: 0.2572788914434406
Energy: 0.2559342539641162
Energy: 0.2572788914429106

minimum gb energy = 0.25434561871009875 eV
minimum distance =  2.58763320773058 Angstroms
sigma value = 85


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

Energy: 0.7013534920710012
Energy: 0.2300682632817136
Energy: 0.22774255020727618
Energy: 0.23006826325091362
Energy: 0.6227835460423261
Energy: 0.22771593983677085
Energy: 0.28131622341087115
Energy: 0.22771593983631117
Energy: 0.6242151034699556
Energy: 0.22732980167560654
Energy: 0.28234780301572726
Energy: 0.22732980167560654
Energy: 0.5368544293356884
Energy: 0.2291797180164621
Energy: 0.3818062276750117
Energy: 0.22917971801232478
Energy: 0.6045550008313098
Energy: 0.22652955554777077
Energy: 0.38127745689675635
Energy: 0.22652955555144838
Energy: 0.5392624687053786
Energy: 0.2270613923377421
Energy: 0.3831932317914823
Energy: 0.22706139233222575
Energy: 0.5418491147871138
Energy: 0.2274175700762723
Energy: 0.47651677395470926
Energy: 0.22741756998575297
Energy: 0.5643483406400279
Energy: 0.2274195876300704
Energy: 0.40588471038871815
Energy: 0.2274195876355868
Energy: 0.5412913555822966
Energy: 0.2272801244882807
Energy: 0.4740935773628807
Energy: 0.2272801244901195
Energy: 0.5408193307496597
Energy: 0.26693824808808825
Energy: 0.5600372958742191
Energy: 0.266938248076136
Energy: 0.4777879920713385
Energy: 0.22732760832188206
Energy: 0.49474669243461916
Energy: 0.2273276084174581
Energy: 0.45342794634715367
Energy: 0.22640955836105486
Energy: 0.5600435456800922
Energy: 0.2264095573951809
Energy: 0.47402783399756665
Energy: 0.22654410618950685
Energy: 0.5817690780254441
Energy: 0.22654410620835458
Energy: 0.3875061568914793
Energy: 0.22797877927003904
Energy: 0.49828314810671387
Energy: 0.22797877926865992
Energy: 0.35505382114519535
Energy: 0.22634432987783606
Energy: 0.642646849995663
Energy: 0.22634432987829575
Energy: 0.3846612628592551
Energy: 0.22761934467733658
Energy: 0.5829282423770881
Energy: 0.22761934467871567
Energy: 0.280068400645931
Energy: 0.22651824856573852
Energy: 0.5856028969434844
Energy: 0.22651824856527883
Energy: 0.27922123307904595
Energy: 0.22699539449284856
Energy: 0.6637015126198462
Energy: 0.22699539449376796
Energy: 0.2771870931147012
Energy: 0.2271692382418326
Energy: 0.6624246698560885
Energy: 0.22716923824734903
Energy: 0.25638564545693543
Energy: 0.22663299267478576
Energy: 0.6625485002069549
Energy: 0.22663299267386638
Energy: 0.2513010991078649
Energy: 0.22539500973606108
Energy: 0.6836266372267729
Energy: 0.22539500973835958
Energy: 0.2534388030838535
Energy: 0.22677655144500153
Energy: 0.6011614527815431
Energy: 0.226776551442703
Energy: 0.3103161175343332
Energy: 0.22761970562928735
Energy: 0.6860530741213791
Energy: 0.22761970562790826
Energy: 0.30442254314557965
Energy: 0.22626044591476005
Energy: 0.6833144121860463
Energy: 0.22626044591384065
Energy: 0.3085309766355256
Energy: 0.22687256375583523
Energy: 0.5369423400518141
Energy: 0.22687256375629494
Energy: 0.38100864668998063
Energy: 0.22644425719431904
Energy: 0.6082297987622964
Energy: 0.22644425719385933
Energy: 0.3807708240826225
Energy: 0.22624492675379715
Energy: 0.6231823025612321
Energy: 0.22624492675287775
Energy: 0.42932924819804313
Energy: 0.22682043004842037
Energy: 0.5377673657840818
Energy: 0.2268204269017867
Energy: 0.4752947324713186
Energy: 0.2261744729819293
Energy: 0.6018722894780311
Energy: 0.22617447297043675
Energy: 0.4740875375288
Energy: 0.22629126103828773
Energy: 0.5389449627583249
Energy: 0.2262912609973952
Energy: 0.5614693205155858
Energy: 0.26727445650674
Energy: 0.4524490207269024
Energy: 0.2672744565361399
Energy: 0.498763635211129
Energy: 0.26685425947729946
Energy: 0.5438329364505814
Energy: 0.2668542594791382
Energy: 0.5613323734640112
Energy: 0.29781554306970764
Energy: 0.45109105051038334
Energy: 0.29781554307338526
Energy: 0.6062340671661323
Energy: 0.22759836666026492
Energy: 0.451661789811421
Energy: 0.22759836666118433
Energy: 0.49421992799441444
Energy: 0.22747078873945453
Energy: 0.3824102723931592
Energy: 0.22747078874543064
Energy: 0.6444519445018466
Energy: 0.22668784243404783
Energy: 0.3811307411132576
Energy: 0.22668784243816426
Energy: 0.6648865603577274
Energy: 0.2270864826519417
Energy: 0.3829519136846121
Energy: 0.22708648265148204
Energy: 0.5803676599948625
Energy: 0.2299509054869515
Energy: 0.28106475981526524
Energy: 0.2299509054860321
Energy: 0.6855003644103831
Energy: 0.22668103560190858
Energy: 0.278755774321843
Energy: 0.2266810356023683
Energy: 0.6660542957267851
Energy: 0.2293048365614153
Energy: 0.2834449291378006
Energy: 0.22930483655911676
Energy: 0.5796179568907757
Energy: 0.22911628244950694
Energy: 0.22699506648868398
Energy: 0.22911628245180543
Energy: 0.68450830979085
Energy: 0.2266895700750431
Energy: 0.22690224277143387
Energy: 0.2266895700741237
Energy: 0.6219287204684417
Energy: 0.22918452089727742
Energy: 0.22817003203907818
Energy: 0.22918452089911623

minimum gb energy = 0.22539500973606108 eV
minimum distance =  2.58672734177379 Angstroms
sigma value = 113


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

Energy: 0.011537597185762936
Energy: 0.012016834807767818
Energy: 0.5140018150186881
Energy: 0.012016834807414424
Energy: 0.012066941353751984
Energy: 0.05472326583390455
Energy: 0.3728384023037479
Energy: 0.05472326583390455
Energy: 0.01192123371520339
Energy: 0.05408828923955638
Energy: 0.3724259765067135
Energy: 0.05408828923990977
Energy: 0.012544742291365766
Energy: 0.05629670070149559
Energy: 0.3755848385718714
Energy: 0.05629670070149559
Energy: 0.37433407595146145
Energy: 0.055548932274083675
Energy: 0.3742371763106479
Energy: 0.055548932274437066
Energy: 0.011826314450955937
Energy: 0.053909406394111556
Energy: 0.37260248803738494
Energy: 0.0539094063937778

minimum gb energy = 0.011537597185762936 eV
minimum distance =  2.82764420645835 Angstroms
sigma value = 1