Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.56183634698391
cohesive_energy=3.9401847031687383
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7667682396108198e-19, 2.49494149799748e-19, 3.0509288335281598e-19, 3.5019255342328197e-19, 3.89101412979972e-19, 4.22463537029754e-19, 4.5138122309682e-19, 4.76609096375784e-19, 4.986918969222059e-19, 5.1883766591812195e-19, 5.369454662355899e-19, 5.52925575983106e-19, 5.66984675946456e-19, 5.79292596848844e-19, 5.89990330234062e-19, 5.99201243702928e-19, 6.07029478736652e-19, 6.1375381406955e-19, 6.1931336698953e-19, 6.23736976676004e-19, 6.27088730194332e-19, 6.2942310155006995e-19, 6.30791360395506e-19, 6.31236765499758e-19, 6.307561125095579e-19, 6.29193990291408e-19, 6.26353331119326e-19, 6.2305444942992e-19, 6.1825593041109e-19, 6.114707123661e-19, 6.02303057666352e-19, 5.90277119851548e-19, 5.7480490009701e-19, 5.55159010210902e-19, 5.30583222821976e-19, 4.99898335927608e-19, 4.6161112090491e-19, 4.1390631162756e-19, 3.5443671932674794e-19, 2.819029787523e-19, 1.9088813070466199e-19, 7.606317548148659e-20, -6.86944447063938e-20, -2.53850468067594e-19, -4.9312593529569e-19, -8.062921867072319e-19, -1.2232169991132479e-18, -1.78868601596394e-18, -2.5728072824098798e-18, -3.70253407057596e-18, -5.3946889443414e-18, -8.068144962899159e-18, -1.2613423942959118e-17, -2.12539945736538e-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: 0.015652594113011422
Energy: 0.016441598457520183
Energy: 0.016905315051650757
Energy: 0.01602489284698591
Energy: 0.9370216737613818
Energy: 0.0159306561393102
Energy: 0.016441598456551063
Energy: 0.18654883160360342
Energy: 0.18636306250134993
Energy: 0.18636526726563757
Energy: 0.18666105289801369
Energy: 0.1862133810060422
Energy: 0.01690531505545545
Energy: 0.18636306250009363
Energy: 0.1861985342741261
Energy: 0.01659952880305869
Energy: 0.18663498796257771
Energy: 0.18601062946111974
Energy: 0.016024892846339834
Energy: 0.18636526726624775
Energy: 0.01659952880273565
Energy: 0.016015522931350824
Energy: 0.1868507369235469
Energy: 0.01594671711248357
Energy: 0.9370216737705347
Energy: 0.18666105289704454
Energy: 0.1866349879578398
Energy: 0.18685073692038826
Energy: 0.1875024502736732
Energy: 0.18649395903525
Energy: 0.0159306561393102
Energy: 0.18621338100381682
Energy: 0.1860106294607967
Energy: 0.015946717112806607
Energy: 0.18649395903463983
Energy: 0.015898189327473937

minimum gb energy = 0.015652594113011422 eV
minimum distance =  2.51692219627957 Angstroms
sigma value = 1


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

Energy: 2.5725896059032567
Energy: 1.435000782608897
Energy: 1.3500994461172375
Energy: 1.4588411962132406
Energy: 1.338513872100582
Energy: 1.3577873546305192
Energy: 2.2920745382397345
Energy: 1.3532828070378191
Energy: 1.3515687915581291
Energy: 1.3450555108245064
Energy: 1.3505197444079384
Energy: 1.3504368155347228
Energy: 1.2560740685512444
Energy: 1.356846124759026
Energy: 1.3537824957691609
Energy: 1.40011594982001
Energy: 1.3561636655602227
Energy: 1.3524815106373738
Energy: 2.4377435837348123
Energy: 1.3437413513223366
Energy: 1.3930917793152509
Energy: 1.3924564826183292
Energy: 1.344251837550102
Energy: 1.392206597142688
Energy: 2.2253331180287415
Energy: 1.351383263865011
Energy: 1.353797234869839
Energy: 1.35048853618303
Energy: 1.3514380791475549
Energy: 1.3519403887662325
Energy: 2.1884166708073534
Energy: 1.3539149103925499
Energy: 1.401422996175015
Energy: 1.4000344069385535
Energy: 1.352969718784264
Energy: 1.400569673751264
Energy: 2.186609710837775
Energy: 1.3965280290329807
Energy: 1.3967140780984506
Energy: 1.3997014634011629
Energy: 1.354023920752493
Energy: 1.3998769839589948
Energy: 2.038526684710306
Energy: 1.3965721446666803
Energy: 1.3967795362435242
Energy: 1.3568937018786666
Energy: 1.3967931882152826
Energy: 1.4005428562573934
Energy: 1.7793766870128545
Energy: 1.3997600265729178
Energy: 1.401666050388785
Energy: 1.3522642295047567
Energy: 1.3991813490351652
Energy: 1.401614420890335
Energy: 1.7766045632549368
Energy: 1.3498042801247032
Energy: 1.3535716674866791
Energy: 1.3512351699063587
Energy: 1.349878888017444
Energy: 1.3506076947407621
Energy: 1.6434822174443364
Energy: 1.4077326566634885
Energy: 1.407595515270678
Energy: 1.3417362517844447
Energy: 1.408087063543604
Energy: 1.3734677423963315
Energy: 1.4845252226093493
Energy: 1.350160862002506
Energy: 1.35032544227126
Energy: 1.360494891842407
Energy: 1.3969869220616302
Energy: 1.3518802876925327
Energy: 1.4841486571880511
Energy: 1.3494879609839139
Energy: 1.3502836936008407
Energy: 1.3536832997341588
Energy: 1.3493123047043944
Energy: 1.3511163457656512
Energy: 1.5981161707621796
Energy: 1.373310799815446
Energy: 1.3787108877593752
Energy: 1.343388868556396
Energy: 1.3715829569360436
Energy: 1.3618112333246557
Energy: 1.5709194310547507
Energy: 1.3532112183774818
Energy: 1.352406427704943
Energy: 1.3505282009977737
Energy: 1.3480579287077898
Energy: 1.3528784088102779
Energy: 1.571538490350765
Energy: 1.4010266688783743
Energy: 1.4018216360101114
Energy: 1.3393569176501632
Energy: 1.4008987453937318
Energy: 1.4029197175762373
Energy: 2.0439198745137657
Energy: 1.3949486675147489
Energy: 1.3937602785665908
Energy: 1.3576261602401638
Energy: 1.3987557853505828
Energy: 1.4096386483200156
Energy: 1.9980085799906357
Energy: 1.4031298521868962
Energy: 1.403131180593184
Energy: 1.4024733756705852
Energy: 1.4040252354188918
Energy: 1.403051172546125
Energy: 1.9964767482267347
Energy: 1.4022324036211484
Energy: 1.4029097511743525
Energy: 1.4035359262706903
Energy: 1.4021175341066796
Energy: 1.4026812591774338
Energy: 2.080309174304814
Energy: 1.402410442539798
Energy: 1.4033867463615306
Energy: 1.4026376268472953
Energy: 1.4035141132356235
Energy: 1.4021417352050358
Energy: 2.280793088961765
Energy: 1.3726075565230227
Energy: 1.384431967417445
Energy: 1.3941788875238075
Energy: 1.3424303113336022
Energy: 1.3850236272511942
Energy: 2.2108635940575883
Energy: 1.3374876091687355
Energy: 1.4035382345250131
Energy: 1.3967051946572147
Energy: 1.3418560067869427
Energy: 1.402054055309801
Energy: 2.2922259265909344
Energy: 1.35385276128054
Energy: 1.3509991789849338
Energy: 1.299572432152678
Energy: 1.3497542968171305
Energy: 1.3504077911432593

minimum gb energy = 1.2560740685512444 eV
minimum distance =  2.33832149825983 Angstroms
sigma value = 33


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

Energy: 2.8091476944731957
Energy: 1.5976403687001144
Energy: 1.5969990461629813
Energy: 1.6002707225726243
Energy: 1.5089555381365918
Energy: 1.597088867334242
Energy: 1.991251081427784
Energy: 1.5027862080169383
Energy: 1.4754099769604774
Energy: 1.4773786177289996
Energy: 1.5091078703884713
Energy: 1.4762771868227302
Energy: 2.080328824315137
Energy: 1.5038937898394162
Energy: 1.4753943878082385
Energy: 1.4852551978507067
Energy: 1.505326442956057
Energy: 1.4760900163441961
Energy: 2.2630062347246565
Energy: 1.5073402762483428
Energy: 1.5172805165124514
Energy: 1.4839159594186095
Energy: 1.507828997050747
Energy: 1.4865844005564361
Energy: 2.0821476543336916
Energy: 1.4791361278895983
Energy: 1.4746731173861385
Energy: 1.4779089919123762
Energy: 1.505225108411283
Energy: 1.4730884389930559
Energy: 2.263294126530976
Energy: 1.5031735278365637
Energy: 1.49011994599245
Energy: 1.4879816283022291
Energy: 1.503618525942108
Energy: 1.487418190184359
Energy: 2.2632382177160517
Energy: 1.491718897151945
Energy: 1.4894265867291674
Energy: 1.4868846773050521
Energy: 1.504657727620569
Energy: 1.488034858572442
Energy: 2.084700611567025
Energy: 1.4712528326470327
Energy: 1.473669067475345
Energy: 1.5048064761604831
Energy: 1.470464000338944
Energy: 1.4728472971815212
Energy: 1.7457273993054183
Energy: 1.4768810929465206
Energy: 1.4856605076330742
Energy: 1.5030879226782834
Energy: 1.4785705449760578
Energy: 1.4866383185234346
Energy: 1.7484125558611843
Energy: 1.4759734332857064
Energy: 1.474813189929692
Energy: 1.5052702463160657
Energy: 1.477339780682273
Energy: 1.4753595936132096
Energy: 1.6857476184613107
Energy: 1.4794491464872963
Energy: 1.4805757629039513
Energy: 1.542291131298914
Energy: 1.47502335700728
Energy: 1.4814437239649656
Energy: 1.5093942048647808
Energy: 1.4713137138754795
Energy: 1.4758993416296071
Energy: 1.5076843771689157
Energy: 1.4707429347912597
Energy: 1.4757327824506772
Energy: 1.5077040182535928
Energy: 1.4766003454787109
Energy: 1.4762081725925182
Energy: 1.50862843428074
Energy: 1.4776036789542162
Energy: 1.4774554035234517
Energy: 1.7935524968590073
Energy: 1.4886652638553677
Energy: 1.491437429022365
Energy: 1.5080346663244246
Energy: 1.4882694521435031
Energy: 1.5061197323751885
Energy: 1.74954964448863
Energy: 1.4750908775288372
Energy: 1.47384311795157
Energy: 1.506268492510848
Energy: 1.47717093886466
Energy: 1.474410583097583
Energy: 1.7465491748606523
Energy: 1.4865950598249884
Energy: 1.4859310232303042
Energy: 1.5033446805693653
Energy: 1.4880845893639558
Energy: 1.4873977981188509
Energy: 2.0706021500751897
Energy: 1.4882543202299763
Energy: 1.4886584919713672
Energy: 1.5047838837200629
Energy: 1.4877343766692785
Energy: 1.4900794782959748
Energy: 1.9903274505114152
Energy: 1.4905115812585634
Energy: 1.4895911511360982
Energy: 1.47123113689935
Energy: 1.5048807841380514
Energy: 1.4713649219667373
Energy: 1.994022026959868
Energy: 1.5032548958132645
Energy: 1.4892875935991388
Energy: 1.4721098611612389
Energy: 1.5028836891175246
Energy: 1.486588810178238
Energy: 2.081612930197608
Energy: 1.4748748202870037
Energy: 1.4753682323031474
Energy: 1.4784057713202627
Energy: 1.5055028805611812
Energy: 1.4737102726200193
Energy: 2.529258022347409
Energy: 1.5046394266416296
Energy: 1.4708149970984141
Energy: 1.4734175372287932
Energy: 1.5045311316130545
Energy: 1.4786462243634135
Energy: 1.9916709807011297
Energy: 1.503736969613211
Energy: 1.475476663613638
Energy: 1.4707852138612318
Energy: 1.5087443854011768
Energy: 1.4758667884948395
Energy: 2.083171712838381
Energy: 1.5028813626112671
Energy: 1.4776132148421932
Energy: 1.477896746297189
Energy: 1.5070262197399895
Energy: 1.4760386797258864
Energy: 2.261156227002018
Energy: 1.5070637274770555
Energy: 1.5075436925193757
Energy: 1.4839606279959774
Energy: 1.5283714472498886
Energy: 1.514892401928172
Energy: 2.0843630928387076
Energy: 1.4793425639371434
Energy: 1.4762985794650885
Energy: 1.4779251705643865
Energy: 1.4759704385150962
Energy: 1.4750946861320011
Energy: 1.5117933964097225
Energy: 1.5027289981194032
Energy: 1.4875576619802393
Energy: 1.488457155310014
Energy: 1.5028595572264325
Energy: 1.485668949514796
Energy: 2.264837334599454
Energy: 1.503985546785627
Energy: 1.490933140560321
Energy: 1.487272316255122
Energy: 1.5048353024015022
Energy: 1.4900500066475189
Energy: 2.0823227544565253
Energy: 1.4719156307313797
Energy: 1.4717474162544542
Energy: 1.5039707582485449
Energy: 1.4764174025643517
Energy: 1.4879489202586111
Energy: 1.747195937551651
Energy: 1.471577424668396
Energy: 1.472049617323688
Energy: 1.504445590564261
Energy: 1.475226654815543
Energy: 1.4887494365196652
Energy: 1.7470329887343947
Energy: 1.4742988516653097
Energy: 1.4731848822470393
Energy: 1.5045458715251252
Energy: 1.4780166014984586
Energy: 1.4737894065583206
Energy: 1.837805034130311
Energy: 1.4732134906218575
Energy: 1.4758833402327136
Energy: 1.5038676306923149
Energy: 1.4723867193850522
Energy: 1.4795702915144697
Energy: 1.5078994266047225
Energy: 1.4717798037860614
Energy: 1.4719088351350265
Energy: 1.5082812451208278
Energy: 1.4714754270392973
Energy: 1.4751024194295976
Energy: 1.5083955965057037
Energy: 1.4759879028651604
Energy: 1.4748071087668033
Energy: 1.5087356559286826
Energy: 1.4773714197436714
Energy: 1.4762376628891392
Energy: 1.5079108855962444
Energy: 1.4844526567231577
Energy: 1.5090990556976418
Energy: 1.5079557116761961
Energy: 1.484831519528893
Energy: 1.510233572893557
Energy: 1.7489623300373691
Energy: 1.47731674501546
Energy: 1.4769910112280384
Energy: 1.5051407304664244
Energy: 1.4775146128792525
Energy: 1.476505343121655
Energy: 1.74625114798159
Energy: 1.4864678062713153
Energy: 1.4848522794108931
Energy: 1.5036648308974159
Energy: 1.4885086318496357
Energy: 1.4858484143528672
Energy: 1.7462772238484892
Energy: 1.48891472759472
Energy: 1.489651055343998
Energy: 1.5426679320122287
Energy: 1.4884768835573516
Energy: 1.490423531015938
Energy: 1.996505672151402
Energy: 1.489665085912927
Energy: 1.4871975817066714
Energy: 1.4808761697742503
Energy: 1.5072361970621428
Energy: 1.4860829458883587
Energy: 1.9900871660697763
Energy: 1.5041129008904444
Energy: 1.491724727160411
Energy: 1.4707605005696178
Energy: 1.5051556563411774
Energy: 1.4722912818287195
Energy: 2.081061779591195
Energy: 1.5035567767166036
Energy: 1.4752737594173841
Energy: 1.478085734956207
Energy: 1.5033212709068902
Energy: 1.4731868700551176
Energy: 2.5343803136293697
Energy: 1.475568560917504
Energy: 1.4776576577666514
Energy: 1.4718523472370408
Energy: 1.5039379856551165
Energy: 1.4747683880258182

minimum gb energy = 1.470464000338944 eV
minimum distance =  2.33993850376505 Angstroms
sigma value = 51


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

Energy: 2.6437519232190216
Energy: 1.5332317396644377
Energy: 1.5268870165255155
Energy: 1.4537872001207426
Energy: 1.548781076528416
Energy: 1.3946919220253382
Energy: 2.2778097471782135
Energy: 1.5200483774519375
Energy: 1.4946262290055214
Energy: 1.4266900379093783
Energy: 1.51432453712931
Energy: 1.4254957460174427
Energy: 2.3056307856684506
Energy: 1.5149521760982538
Energy: 1.4958601786326724
Energy: 1.4258515363912656
Energy: 1.514328624451446
Energy: 1.4961847358232945
Energy: 2.304556865255536
Energy: 1.5433096890939275
Energy: 1.4990434179403416
Energy: 1.4199746082328615
Energy: 1.5398159095830954
Energy: 1.4163565548685932
Energy: 1.9804219165972003
Energy: 1.4240198656188103
Energy: 1.4238000412134957
Energy: 1.4288571648252169
Energy: 1.424658273388587
Energy: 1.4249645756177145
Energy: 1.97926056440537
Energy: 1.4243509216780927
Energy: 1.4250206866625388
Energy: 1.425564759461746
Energy: 1.4253728956871103
Energy: 1.4247189164056182
Energy: 1.9789645925406272
Energy: 1.4264475537731336
Energy: 1.424925772585764
Energy: 1.4256260659327546
Energy: 1.4281877961289067
Energy: 1.4241159737341051
Energy: 1.8606993918465662
Energy: 1.5387333694028522
Energy: 1.5386047576516073
Energy: 1.5950570127866515
Energy: 1.539714228992776
Energy: 1.5323065781181056
Energy: 1.5730190431007403
Energy: 1.5125159735231855
Energy: 1.5127459446881966
Energy: 1.5168208799488012
Energy: 1.5122877905001737
Energy: 1.4952152267565553
Energy: 1.5718697523229956
Energy: 1.4260168338832826
Energy: 1.426326332919517
Energy: 1.5131600031512171
Energy: 1.427568262761033
Energy: 1.4954231351581677
Energy: 1.5725562554730794
Energy: 1.4569511917978946
Energy: 1.4558368751991673
Energy: 1.5149622672355718
Energy: 1.4209117890921061
Energy: 1.456959141026181
Energy: 1.6914220588879865
Energy: 1.4252208606130965
Energy: 1.4253475510354086
Energy: 1.5169373973065277
Energy: 1.4207922529165358
Energy: 1.4283807156764614
Energy: 1.6897881156481374
Energy: 1.5714239033128652
Energy: 1.4963465097016002
Energy: 1.5140705097629703
Energy: 1.49476850599314
Energy: 1.4980822622529044
Energy: 1.690045756036183
Energy: 1.4230601891648942
Energy: 1.4239000138213689
Energy: 1.4667491594046522
Energy: 1.4230008437946924
Energy: 1.423637097599028
Energy: 2.123879734115701
Energy: 1.4997547626148953
Energy: 1.4991509397382434
Energy: 1.5718763043353496
Energy: 1.496974045036615
Energy: 1.4950541161181394
Energy: 2.1242594861806667
Energy: 1.5178760205735016
Energy: 1.5006879952811298
Energy: 1.3905596553286144
Energy: 1.5152948875973207
Energy: 1.3893272777366141
Energy: 1.425510524881058
Energy: 1.5181795254437804
Energy: 1.4988107369653227
Energy: 1.4282125740882776
Energy: 1.5134397411125542
Energy: 1.4980440131613226
Energy: 2.4852703266829144
Energy: 1.506272503989219
Energy: 1.410722177405733
Energy: 1.460793936397822
Energy: 1.5177594083296313
Energy: 1.4104314221749958

minimum gb energy = 1.3893272777366141 eV
minimum distance =  2.34588407644656 Angstroms
sigma value = 19


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

Energy: 2.2603516110884097
Energy: 1.5504088402074945
Energy: 1.5504452228716021
Energy: 1.6601005165410827
Energy: 1.5093625229737448
Energy: 1.5509235702461652
Energy: 1.9873352674642943
Energy: 1.5100318035126328
Energy: 1.509548942109924
Energy: 1.5550192593129866
Energy: 1.5105032941179795
Energy: 1.509709645235994
Energy: 1.50875397886115
Energy: 1.5104852833789648
Energy: 1.5095707461527386
Energy: 1.5546380141100298
Energy: 1.510369235472025
Energy: 1.5108906623253937
Energy: 1.8536100099103578
Energy: 1.5099688309301473
Energy: 1.5096239407361298
Energy: 1.5707573282492553
Energy: 1.5115086451582425
Energy: 1.5098039679952089
Energy: 1.861793279600064
Energy: 1.5092077886176354
Energy: 1.5548187291709656
Energy: 1.5549114003916966
Energy: 1.5095165871376146
Energy: 1.556563824150632
Energy: 1.8611273277821296
Energy: 1.47158009033911
Energy: 1.5545879064760113
Energy: 1.555108888005178
Energy: 1.47126386218329
Energy: 1.5551872934180366
Energy: 1.8628506589613094
Energy: 1.4854704157746628
Energy: 1.5554687943575893
Energy: 1.554595569308305
Energy: 1.4847884900514332
Energy: 1.5557193481310063
Energy: 1.6934717025760775
Energy: 1.4714904102082775
Energy: 1.471421838114547
Energy: 1.5100469909361112
Energy: 1.4767242213054443
Energy: 1.472210913920116
Energy: 1.5103257623446482
Energy: 1.4729376319369893
Energy: 1.4721458303110406
Energy: 1.5099228801216293
Energy: 1.4720178259852914
Energy: 1.4715151101146995
Energy: 1.510013039076385
Energy: 1.5554222452049629
Energy: 1.5096819230069394
Energy: 1.5100750586440275
Energy: 1.5552590234318593
Energy: 1.5100857634586569
Energy: 1.5091327711192284
Energy: 1.5704008055130938
Energy: 1.5714204225088597
Energy: 1.5097470485498934
Energy: 1.576873350618336
Energy: 1.510719240184372
Energy: 1.6961113780176846
Energy: 1.5547833544170246
Energy: 1.553818205242
Energy: 1.509834205981542
Energy: 1.5544057825358906
Energy: 1.5096548467862274
Energy: 1.4717043436838122
Energy: 1.5544153152453815
Energy: 1.5547575054082043
Energy: 1.471543189635674
Energy: 1.5547096865733028
Energy: 1.5555142833107696
Energy: 1.695633460554815
Energy: 1.5550529614578894
Energy: 1.554943421379787
Energy: 1.4845481797932927
Energy: 1.5554266438063542
Energy: 1.5552052848303248
Energy: 2.22261663821466
Energy: 1.5096391307923707
Energy: 1.5100449721640752
Energy: 1.4724177846749453
Energy: 1.510038198094169
Energy: 1.4715663316446745
Energy: 2.223315968701228
Energy: 1.4840953413691105
Energy: 1.4721842769712414
Energy: 1.47256934051013
Energy: 1.5102664594699473
Energy: 1.4719666743147293
Energy: 1.8621951644633628
Energy: 1.511175361853873
Energy: 1.510174520405621
Energy: 1.5551504136161933
Energy: 1.5102083778234365
Energy: 1.5096107975986428
Energy: 1.8542759242937392
Energy: 1.5104890176107868
Energy: 1.5121812239563843
Energy: 1.5701330102507667
Energy: 1.510209525328477
Energy: 1.5097204322413633
Energy: 1.8554136472222105
Energy: 1.5098551299124183
Energy: 1.5113116769627781
Energy: 1.5694290101052681
Energy: 1.510460525682629
Energy: 1.5122622123750828
Energy: 1.8617409164205436
Energy: 1.4714799945560295
Energy: 1.5551014917359613
Energy: 1.5549351859791969
Energy: 1.4712000208571538
Energy: 1.5543557584372591
Energy: 1.8607843210179131
Energy: 1.5096869246668423
Energy: 1.5548962749032327
Energy: 1.5584272478366352
Energy: 1.5095870648782628
Energy: 1.5550984329594448
Energy: 1.8609459246939255
Energy: 1.5545256179719544
Energy: 1.554226602537354
Energy: 1.5091406207099345
Energy: 1.4847246826418279
Energy: 1.5543762238449208
Energy: 1.6955457365938607
Energy: 1.5210743037335621
Energy: 1.4718123502951046
Energy: 1.5096533042970859
Energy: 1.4712683246743459
Energy: 1.4720996894879712
Energy: 1.5100118668570213
Energy: 1.5099710757683986
Energy: 1.5098491649138532
Energy: 1.5103687948561482
Energy: 1.5332040634280266
Energy: 1.5098579571397135
Energy: 1.5103059582940104
Energy: 1.5561134368868286
Energy: 1.5107688270363018
Energy: 1.51010537687496
Energy: 1.5547117554095744
Energy: 1.509806264229578
Energy: 1.4846711897418974
Energy: 1.5708229692571314
Energy: 1.5697988789099575
Energy: 1.5096772134939749
Energy: 1.5712571696585549
Energy: 1.5101631853561241
Energy: 1.861323299690912
Energy: 1.5548752519053455
Energy: 1.5545280635994536
Energy: 1.5099745983336548
Energy: 1.5545864158684588
Energy: 1.5569845910357736
Energy: 1.4714446021918908
Energy: 1.5547013989241052
Energy: 1.5561570131078089
Energy: 1.4711032464703533
Energy: 1.5547844268475535
Energy: 1.5539440548835401
Energy: 1.6946492114476486
Energy: 1.5543783786512853
Energy: 1.557246172460881
Energy: 1.4854240698647792
Energy: 1.5547584741077727
Energy: 1.55448442555948
Energy: 2.2211757200676674
Energy: 1.4835150810379816
Energy: 1.4717270503734343
Energy: 1.4730644435901727
Energy: 1.5096751243588187
Energy: 1.4728119694269317

minimum gb energy = 1.4711032464703533 eV
minimum distance =  2.34148283453182 Angstroms
sigma value = 27


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

Energy: 1.8643767615594686
Energy: 1.2208893840759871
Energy: 1.2227873913505822
Energy: 1.3778604994875934
Energy: 1.3489975276327357
Energy: 1.2205376602725173
Energy: 1.544957082766687
Energy: 1.2789973130975003
Energy: 1.2788310520751618
Energy: 1.2788359263472167
Energy: 1.2799963522958642
Energy: 1.279218258198183
Energy: 1.6349888555654393
Energy: 1.350794319550668
Energy: 1.350832371468469
Energy: 1.2792468706236069
Energy: 1.351819240020238
Energy: 1.2797050469550382
Energy: 1.5430869817842403
Energy: 1.4022404331730116
Energy: 1.279105144624965
Energy: 1.2785318782172352
Energy: 1.2796877389202483
Energy: 1.279035764650789
Energy: 1.7627185287325209
Energy: 1.2184408135524467
Energy: 1.2789196884981024
Energy: 1.2787133807425815
Energy: 1.218446888499168
Energy: 1.2791566771604848
Energy: 1.4856736126916
Energy: 1.3895488940175142
Energy: 1.3195505431570984
Energy: 1.4860742395928197
Energy: 1.389105896544121
Energy: 1.2176524772771389
Energy: 1.4856384976707664
Energy: 1.2801480445772624
Energy: 1.2808084280327487
Energy: 1.3525513132436113
Energy: 1.3251772108353899
Energy: 1.2797289954931987
Energy: 1.5620047357765832
Energy: 1.3184626989255275
Energy: 1.3194729465117823
Energy: 1.5615557437988563
Energy: 1.3179591432434468
Energy: 1.2780275458918608
Energy: 1.6358522264473851
Energy: 1.2783796899664095
Energy: 1.3319052036613774
Energy: 1.2798328792861495
Energy: 1.277793403724211
Energy: 1.3286255852590731
Energy: 1.3893277334567704
Energy: 1.2803411003958467
Energy: 1.3507680829557955
Energy: 1.3507706049902148
Energy: 1.280891638367125
Energy: 1.3517417184976437
Energy: 1.6358130186608797
Energy: 1.4018940288927144
Energy: 1.4026846761835796
Energy: 1.3513790851332652
Energy: 1.4053778768325014
Energy: 1.3275437939511365
Energy: 1.544957085142056
Energy: 1.27929581940839
Energy: 1.2785672818640565
Energy: 1.2789760991485417
Energy: 1.2797869165799438
Energy: 1.278950844924112

minimum gb energy = 1.2176524772771389 eV
minimum distance =  2.36776146404192 Angstroms
sigma value = 9


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

Energy: 1.8511866348645465
Energy: 1.227451321335973
Energy: 1.196000604138267
Energy: 1.215870663977615
Energy: 1.2612785428249353
Energy: 1.2192789135880981
Energy: 1.2347102507477892
Energy: 1.2112298229524285
Energy: 1.1910312648051833
Energy: 1.1915051787633615
Energy: 1.1908219350505194
Energy: 1.1903474108723218
Energy: 1.3697983457038556
Energy: 1.2093158664602675
Energy: 1.1898827368336087
Energy: 1.2171227977320245
Energy: 1.1890505003900156
Energy: 1.2128520096837632
Energy: 1.3700777274703413
Energy: 1.1928567863290642
Energy: 1.1896515386243696
Energy: 1.207991336549925
Energy: 1.190204637205281
Energy: 1.1878433989085961
Energy: 1.211849815970776
Energy: 1.222050414708873
Energy: 1.1854421495712184
Energy: 1.2010378675915316
Energy: 1.1876718331786444
Energy: 1.2115856395939848
Energy: 1.2772676868027801
Energy: 1.1949558439131136
Energy: 1.1858691940574788
Energy: 1.2335374908231997
Energy: 1.1825435410282747
Energy: 1.1854664602360168
Energy: 1.2786050306791648
Energy: 1.1933004212592357
Energy: 1.1899570988452561
Energy: 1.2788343026473037
Energy: 1.1884049766595266
Energy: 1.1894605485066694
Energy: 1.3060578272639654
Energy: 1.1901341924882416
Energy: 1.1887880320294755
Energy: 1.3062011937588067
Energy: 1.184938245835897
Energy: 1.189686355210925
Energy: 1.514207796864742
Energy: 1.2112305014616491
Energy: 1.188823806525176
Energy: 1.1878704627538839
Energy: 1.1903659946835838
Energy: 1.1909914408926283
Energy: 1.2339661092021807
Energy: 1.1883297618940598
Energy: 1.1891323542781316
Energy: 1.184043903513851
Energy: 1.1898564218120635
Energy: 1.188545212545914
Energy: 1.2339830404398602
Energy: 1.192486230769625
Energy: 1.192526133702415
Energy: 1.1855674655869293
Energy: 1.2357152462099898
Energy: 1.2109101094650347
Energy: 1.7010684784996135
Energy: 1.2195322748219877
Energy: 1.2075076829252398
Energy: 1.1877345752612902
Energy: 1.233774645602452
Energy: 1.2124064033387503
Energy: 1.8222227321304134
Energy: 1.221317301131021
Energy: 1.201180494898034
Energy: 1.212166676285249
Energy: 1.2006840812428219
Energy: 1.2063875706289795
Energy: 1.700212244194284
Energy: 1.2079301235634754
Energy: 1.2088336353589821
Energy: 1.1882771371505554
Energy: 1.216117548630132
Energy: 1.213705459427364
Energy: 1.267420522706106
Energy: 1.1748101603667862
Energy: 1.1704304779757913
Energy: 1.1876975060040869
Energy: 1.1702564717118666
Energy: 1.2030090677636012
Energy: 1.2679136645169198
Energy: 1.186664629414977
Energy: 1.204354533829298
Energy: 1.2620321597498083
Energy: 1.1925751377464788
Energy: 1.2117522059761836
Energy: 1.266087198427296
Energy: 1.2112706551635155
Energy: 1.2070978933788628
Energy: 1.1898519692520813
Energy: 1.187360367787225
Energy: 1.2021262421267567
Energy: 1.3947737178238497
Energy: 1.203049642892737
Energy: 1.2039951202787038
Energy: 1.197678531463464
Energy: 1.2023335466560798
Energy: 1.2051898578689713
Energy: 1.3708190305843513
Energy: 1.1859871630896994
Energy: 1.187174504748787
Energy: 1.1912109490400298
Energy: 1.1869858413710748
Energy: 1.1884661213918426
Energy: 1.3689743846277682
Energy: 1.1856277610370467
Energy: 1.184370925658315
Energy: 1.1880279131872609
Energy: 1.1884331824305776
Energy: 1.1880004357936824
Energy: 1.370839796595802
Energy: 1.2067748502165834
Energy: 1.2043318576985338
Energy: 1.2176330671105156
Energy: 1.2115559735614534
Energy: 1.189094559896878
Energy: 1.4374223953387295
Energy: 1.2094236858496048
Energy: 1.1874886594688236
Energy: 1.1900015050215664
Energy: 1.2010218336340446
Energy: 1.182816327109509
Energy: 1.7230034519032857
Energy: 1.1914753312446171
Energy: 1.2003009259999804
Energy: 1.1911239955561819
Energy: 1.2028343148906997
Energy: 1.1864370571627751
Energy: 1.3687368077358066
Energy: 1.1918834369503104
Energy: 1.2099942374404298
Energy: 1.2173504353659954
Energy: 1.1882796424440698
Energy: 1.2036377536930867
Energy: 1.7000072124317798
Energy: 1.1919455372060825
Energy: 1.20298401363995
Energy: 1.189972984945511
Energy: 1.1898275899693587
Energy: 1.2003241149016695
Energy: 1.2256577812717406
Energy: 1.1898213123308463
Energy: 1.2134096792468232
Energy: 1.2002870833837636
Energy: 1.1898650369048247
Energy: 1.2105108833133102
Energy: 1.485119734137012
Energy: 1.1944951261386132
Energy: 1.1922882576252811
Energy: 1.4975316968470773
Energy: 1.183341094028796
Energy: 1.2234703937818971
Energy: 1.2781088084566443
Energy: 1.1892242000721298
Energy: 1.1912469186726935
Energy: 1.234670786122443
Energy: 1.1872409182900976
Energy: 1.212035703566105
Energy: 1.277856952616786
Energy: 1.2127609413853173
Energy: 1.2114248424067475
Energy: 1.2337801826588124
Energy: 1.1900337967735348
Energy: 1.190977727591026
Energy: 1.312749775718713
Energy: 1.2010967876655854
Energy: 1.1894860709688917
Energy: 1.189162103267212
Energy: 1.1848839743771076
Energy: 1.189485176519798
Energy: 1.2340516887861972
Energy: 1.1928169146984804
Energy: 1.191117789019789
Energy: 1.1862918718002338
Energy: 1.1886039484530024
Energy: 1.1902052281420186
Energy: 2.1445811930956302
Energy: 1.1954407176731894
Energy: 1.1891820518517147
Energy: 1.1854924888338794
Energy: 1.1932418643525295
Energy: 1.1879329547315178
Energy: 1.7028624947117563
Energy: 1.2100582840773646
Energy: 1.1885418644975838
Energy: 1.186460907985836
Energy: 1.233711202161741
Energy: 1.1891171765198414
Energy: 1.3419044070737063
Energy: 1.2178290158845115
Energy: 1.2094760772162518
Energy: 1.1894054375392225
Energy: 1.2026525481491537
Energy: 1.1878380257141876
Energy: 1.5151222365901234
Energy: 1.210280970089713
Energy: 1.2099648142582509
Energy: 1.190056287157233
Energy: 1.2020009721458647
Energy: 1.2099868400824236
Energy: 1.3403367324765312
Energy: 1.1738128947020388
Energy: 1.1929160144953903
Energy: 1.1901713997728465
Energy: 1.174395574644764
Energy: 1.18771818548019
Energy: 1.267521026804535
Energy: 1.2079006807154355
Energy: 1.2062941979352955
Energy: 1.263635710028188
Energy: 1.1986952509399196
Energy: 1.189879555186612
Energy: 1.2662727823735385
Energy: 1.1906304158975207
Energy: 1.1907091152322509
Energy: 1.1876743112825898
Energy: 1.1919289351600943
Energy: 1.1897548737864354
Energy: 1.2665288755410808
Energy: 1.2247487567727526
Energy: 1.2361727181414184
Energy: 1.1862962046335013
Energy: 1.2227180869497494
Energy: 1.2109814470274856
Energy: 1.3710229691238462
Energy: 1.191786932007864
Energy: 1.19215446799864
Energy: 1.1893942702453733
Energy: 1.1921935021457737
Energy: 1.1917603340385166
Energy: 1.3654625306874053
Energy: 1.176608274511945
Energy: 1.1761820915529544
Energy: 1.2060808845425774
Energy: 1.1889186720722238
Energy: 1.2028205232831315
Energy: 1.3710988987620074
Energy: 1.185333132436461
Energy: 1.1852177472146928
Energy: 1.2165455798471232
Energy: 1.1871654799600326
Energy: 1.2007264840971241
Energy: 1.722349170698066
Energy: 1.1991421305560703
Energy: 1.1997660614674297
Energy: 1.1908340221480673
Energy: 1.1939126141905199
Energy: 1.1858814312924049

minimum gb energy = 1.1702564717118666 eV
minimum distance =  2.3339129631822 Angstroms
sigma value = 57


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

Energy: 1.4182020234544197
Energy: 1.1498845428701765
Energy: 0.6548338155443687
Energy: 0.6563833130342288
Energy: 1.0250744665201712
Energy: 1.1442504676046226
Energy: 1.1440254633518379
Energy: 1.0332356866116261
Energy: 1.0352934813562242
Energy: 1.0336264208198789
Energy: 1.031835283737882
Energy: 1.0362434228120618
Energy: 1.3743312990829821
Energy: 1.3609482822748713
Energy: 1.021293921154136
Energy: 1.0410689181535377
Energy: 1.0217549815474272
Energy: 1.0220738497909425
Energy: 1.3622349590491565
Energy: 1.0500742469971973
Energy: 1.1165589871668145
Energy: 1.3589345543071694
Energy: 1.3704238872826635
Energy: 1.3802777315554642
Energy: 1.372874490940491
Energy: 0.9630596272939964
Energy: 0.9609565550747119
Energy: 1.36902924206358
Energy: 0.6545914341668135
Energy: 1.369333760334887
Energy: 1.0218038449011801
Energy: 0.9628049046772991
Energy: 0.961126702269754
Energy: 1.3624014705999623
Energy: 0.6538533084819943
Energy: 0.6525280992084279
Energy: 1.3635133459602822
Energy: 1.3668344047891081
Energy: 1.3649996047284483
Energy: 1.3602026154623543
Energy: 1.3713666756887781
Energy: 1.3684739460034272
Energy: 1.3796409624994557
Energy: 1.3710909055003024
Energy: 1.68447481886355
Energy: 1.3883939217313614
Energy: 1.6442124385520327
Energy: 1.4382452998388466
Energy: 1.7141700542174714
Energy: 1.6417680810816602
Energy: 1.629238918484341
Energy: 1.636739565387597
Energy: 1.3418576363452996
Energy: 1.641174554170271
Energy: 0.6956293958541703
Energy: 1.4120351903757833
Energy: 0.6526789700761582
Energy: 0.6552142577456691
Energy: 1.3661680216164662
Energy: 0.6540798776151097
Energy: 0.6957510464824482
Energy: 1.6474923854761563
Energy: 1.6415626334275777
Energy: 0.6541649992386883
Energy: 1.1611346596856877
Energy: 0.6540525441316686
Energy: 1.3772658454691131
Energy: 1.6415786494002875
Energy: 1.6367833790651118
Energy: 1.0530101980378137
Energy: 1.393079771517177
Energy: 1.6469195006305188
Energy: 1.3662911425856066
Energy: 1.4192934611790584
Energy: 1.3676311145054976
Energy: 1.034397714715257
Energy: 1.128207267102104
Energy: 1.621603215713614
Energy: 1.3732259177966843
Energy: 1.3694641837037183
Energy: 1.3673249269552425
Energy: 1.3738611728942136
Energy: 1.0346826501991622
Energy: 1.3597875256644036
Energy: 1.4263023448249885
Energy: 0.655841541439224
Energy: 0.6517506293107339
Energy: 1.368100625226705
Energy: 0.966846559392998
Energy: 0.9645147912038867
Energy: 1.3681534890489178
Energy: 1.3693108447221733
Energy: 1.3665450407499788
Energy: 1.366793615875773
Energy: 0.9655814114447652
Energy: 1.3586766567891142
Energy: 1.3906433104964078
Energy: 1.3906255959984632
Energy: 1.3897659183791038
Energy: 1.3587001397033571
Energy: 1.3607597004957972
Energy: 1.023291082230395
Energy: 1.3656768678456388
Energy: 1.0243598869952093
Energy: 1.0425222724807373
Energy: 1.023154799657349
Energy: 1.0364621966566532
Energy: 1.3834203295124374
Energy: 1.1426122254133884
Energy: 1.0319544477800773
Energy: 1.041257993807611
Energy: 0.6539576504781719
Energy: 1.0242901860273603
Energy: 1.0422079714750163

minimum gb energy = 0.6517506293107339 eV
minimum distance =  2.3295964326688 Angstroms
sigma value = 11


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

Energy: 2.0004649168532866
Energy: 0.9357827955681869
Energy: 1.1883240484472946
Energy: 0.9491140645718996
Energy: 1.0683780764268838
Energy: 1.186197896356844
Energy: 1.0113359571799732
Energy: 0.93968261576646
Energy: 0.9424706062917714
Energy: 0.9344745200635859
Energy: 0.9363797065009916
Energy: 0.9422369867489242
Energy: 1.0024206372630053
Energy: 0.935203222030321
Energy: 0.9386796699482135
Energy: 0.9338544622149314
Energy: 0.9339448430538057
Energy: 0.9385922740511713
Energy: 1.0012908686354962
Energy: 0.9374677631493524
Energy: 0.9375693199652821
Energy: 0.9337447646622897
Energy: 0.9340215099647031
Energy: 0.9386425728717107
Energy: 0.9860263994871403
Energy: 1.065073317430187
Energy: 1.0661289748658636
Energy: 0.9363097747843367
Energy: 1.0623241146044287
Energy: 0.939106789878182
Energy: 1.0482632258549236
Energy: 0.9445169006567589
Energy: 0.9431102034051337
Energy: 0.9326903878178694
Energy: 0.9380994760053425
Energy: 1.0643322950555947
Energy: 1.0569530457513032
Energy: 0.938687434249273
Energy: 0.9391856924501969
Energy: 0.9356867315795903
Energy: 0.9348262485262976
Energy: 0.9394933469946187
Energy: 1.0146977426036858
Energy: 1.175951311036454
Energy: 1.1736748629068083
Energy: 0.93128433673939
Energy: 1.1788307250379995
Energy: 0.9429760129866405
Energy: 1.0512661623405808
Energy: 0.9348865752055947
Energy: 0.9375482029551432
Energy: 0.9361773547587694
Energy: 0.9341896928488476
Energy: 0.9389356881461167
Energy: 1.4185886748630878
Energy: 0.9368835407765097
Energy: 1.0677101600474297
Energy: 0.936399216965383
Energy: 0.9382116612941084
Energy: 0.9397026465213966
Energy: 1.0903451892642118
Energy: 1.0614238491316286
Energy: 1.0619928765977054
Energy: 1.0619437373205238
Energy: 1.0624075923992518
Energy: 1.0662920816601886
Energy: 1.2510334737045972
Energy: 0.9331025495266947
Energy: 0.9374487409225654
Energy: 1.1782802441797309
Energy: 0.9396697060516229
Energy: 0.9350726702094208
Energy: 1.4571822831363583
Energy: 0.9344288555897112
Energy: 0.9330781340588086
Energy: 1.1696958838090081
Energy: 0.940727599909077
Energy: 0.9354828551943127
Energy: 1.2496539242869822
Energy: 1.187598924850914
Energy: 1.1889130090082047
Energy: 1.1877895273233632
Energy: 1.1869100689429875
Energy: 1.188176421858101
Energy: 1.2493960291267996
Energy: 0.9365520100508936
Energy: 0.9387890333665716
Energy: 1.0651054506281352
Energy: 0.9358372404684864
Energy: 1.0669203562999034
Energy: 1.520883368715832
Energy: 1.1909603315609258
Energy: 1.1895821432955447
Energy: 1.1877935500632875
Energy: 1.0654704267458686
Energy: 1.1892178169698324
Energy: 1.7016214722254077
Energy: 0.951196221769385
Energy: 0.9383831502933379
Energy: 1.3579952722608057
Energy: 0.9557395442692035
Energy: 0.9393801279823093
Energy: 1.9612891928753808
Energy: 1.0643583488989945
Energy: 1.0650056256320377
Energy: 0.9346626189076056
Energy: 1.0630512773465053
Energy: 1.0655029932922486
Energy: 1.0922966785941404
Energy: 0.9381640757054808
Energy: 0.9377902029276405
Energy: 0.9337034223381114
Energy: 0.9338883335596869
Energy: 0.9370673241102154
Energy: 1.3714563242441824
Energy: 1.1607894372983585
Energy: 1.182523316565917
Energy: 1.1465664846298402
Energy: 1.1769656399135298
Energy: 1.1787259112223312
Energy: 1.520801855300862
Energy: 1.0618095134851135
Energy: 1.0647718589746968
Energy: 1.0639463593014253
Energy: 1.1839823815052708
Energy: 1.0631736604106339
Energy: 0.9915651467638279
Energy: 0.9390194862247264
Energy: 0.9393733707638027
Energy: 1.064750204580531
Energy: 0.9379729733397084
Energy: 1.1895577816226446
Energy: 0.9937325081552658
Energy: 1.0623414713019603
Energy: 1.0667686276577246
Energy: 0.9339223504305179
Energy: 1.0621799552819562
Energy: 1.065812602432648
Energy: 1.1979704589673832
Energy: 0.935736312318405
Energy: 0.9345775534004457
Energy: 1.16905073622208
Energy: 0.9340584781146967
Energy: 0.9424690929332372
Energy: 1.1856523094372995
Energy: 0.9367628114396078
Energy: 0.9356869070753211
Energy: 1.1621866041095812
Energy: 0.9346242233605904
Energy: 0.9347034092479523
Energy: 1.086184927344357
Energy: 0.9362433507417316
Energy: 0.9391035981418059
Energy: 1.1827060814141435
Energy: 0.9340588626133851
Energy: 0.9396900537597153

minimum gb energy = 0.93128433673939 eV
minimum distance =  2.37691140014467 Angstroms
sigma value = 41


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

Energy: 2.1941838974691636
Energy: 0.9938243929214542
Energy: 0.993230202204128
Energy: 1.7996179317814744
Energy: 1.4017847178881977
Energy: 1.0260958142226462
Energy: 1.0974319628200215
Energy: 0.9945409627617303
Energy: 0.9935688405975766
Energy: 0.9978966792205497
Energy: 0.9964733762041711
Energy: 0.9935800783478123
Energy: 1.056184859619783
Energy: 0.9950960748175971
Energy: 0.9949414256477817
Energy: 0.9954971954628633
Energy: 0.9956898610455787
Energy: 0.9953157293353672
Energy: 1.0560626730960463
Energy: 0.9965802546445593
Energy: 0.9952277431004715
Energy: 0.99578328157475
Energy: 0.9963417795693343
Energy: 0.9960204599817878
Energy: 1.0563851086967222
Energy: 1.0048933251864494
Energy: 1.0132053645942372
Energy: 0.9948910205257981
Energy: 1.0017916289878694
Energy: 0.9945444425616226
Energy: 1.153216923588614
Energy: 1.0001711045321984
Energy: 0.9988327942767097
Energy: 0.9967639707064749
Energy: 0.9995265470422896
Energy: 1.0046644460886511
Energy: 1.1551385980095308
Energy: 0.9981104600072821
Energy: 0.9961330917244396
Energy: 0.9968321521301406
Energy: 0.9984090911476265
Energy: 0.9956364800284933
Energy: 1.0959757526435954
Energy: 0.9963037096254477
Energy: 0.9970627753543087
Energy: 0.9999014034992784
Energy: 0.9953668350748855
Energy: 1.030041998460949
Energy: 1.1536216949218565
Energy: 0.9941348775792835
Energy: 0.9938688470334627
Energy: 0.9951070231140453
Energy: 0.9969413680281742
Energy: 0.9962499537171561
Energy: 1.1572298125771026
Energy: 0.9961891516197391
Energy: 0.9954013914948644
Energy: 1.0012217118668967
Energy: 0.9982794354183351
Energy: 0.9941030422753147
Energy: 1.1584128994240244
Energy: 0.997303078653953
Energy: 0.9966461812550418
Energy: 1.0010569234140618
Energy: 0.9984420824607079
Energy: 0.997738905945154
Energy: 1.153075467204764
Energy: 0.9921518653675436
Energy: 0.9919742700520141
Energy: 0.9987122451839158
Energy: 0.9948102144364578
Energy: 0.9965028022771923
Energy: 1.061487991389468
Energy: 0.9936378706671074
Energy: 0.9925039071444557
Energy: 0.9984281954018047
Energy: 0.9935972937421539
Energy: 0.9935501356569136
Energy: 1.0660845928065081
Energy: 0.9934201421494686
Energy: 0.992822007213488
Energy: 0.9985768969205402
Energy: 0.9944682410862526
Energy: 0.992323017356014
Energy: 1.0633363022877695
Energy: 0.9936769603301402
Energy: 0.9934071992823764
Energy: 0.9958674027267509
Energy: 1.0207508604526077
Energy: 0.9950024318489428
Energy: 1.0595642442921054
Energy: 0.9953882433935497
Energy: 0.9945069367410624
Energy: 0.9986572298752453
Energy: 0.9943679597505699
Energy: 0.9951352969212401
Energy: 2.174030737451462
Energy: 1.0079357617614415
Energy: 1.0046830434726315
Energy: 0.9985257793968209
Energy: 0.996634337428353
Energy: 1.0022355878650269
Energy: 1.0958513604106204
Energy: 0.9976380120526596
Energy: 0.9958150866540088
Energy: 0.996640110511445
Energy: 0.9990920242368043
Energy: 0.9946248176626497
Energy: 1.0573633862974035
Energy: 0.9942588465925375
Energy: 0.9942450913232297
Energy: 0.9989890273162397
Energy: 0.9949605755973734
Energy: 0.996126326235589
Energy: 1.0552048304033106
Energy: 0.9968824347898277
Energy: 0.9944418671234728
Energy: 0.995578518403115
Energy: 0.9948620277285399
Energy: 0.9943181729012732
Energy: 1.058092538070349
Energy: 0.9949222037215959
Energy: 0.9957848432158823
Energy: 0.9995198215972586
Energy: 0.9962554108489915
Energy: 0.9944633240751153
Energy: 1.780811473820315
Energy: 1.0257528370732705
Energy: 1.285994365221871
Energy: 0.9988899303193683
Energy: 1.0350034932058452
Energy: 1.2733984165099643
Energy: 1.1567612301676435
Energy: 0.9961640526489068
Energy: 0.9942112507957447
Energy: 1.0009886799663734
Energy: 0.9972634125496946
Energy: 0.992966404681833
Energy: 1.095741106620105
Energy: 1.0344030659909293
Energy: 1.0353399157479877
Energy: 0.9987877151099915
Energy: 0.9963583039699558
Energy: 0.9946809698186284
Energy: 1.155585133709556
Energy: 0.9981807341409002
Energy: 0.9962142767294925
Energy: 0.9929942141086544
Energy: 0.9975551471216412
Energy: 0.9941952411512295
Energy: 1.158332317948049
Energy: 0.9977878769666085
Energy: 0.9966494488462437
Energy: 1.0015085802915504
Energy: 0.9985530901540641
Energy: 0.9974430181082637
Energy: 1.1571081426648948
Energy: 0.9963550483940893
Energy: 0.995155981763466
Energy: 1.0005906079760802
Energy: 0.9960202709717544
Energy: 0.9931944347916631
Energy: 1.149209014858638
Energy: 0.9999509451063228
Energy: 1.0072894019024654
Energy: 0.9979364249678736
Energy: 1.0012699303889112
Energy: 0.9976504876117105
Energy: 1.0644400941598426
Energy: 0.998274439296431
Energy: 0.9947769190573417
Energy: 0.9849715468079246
Energy: 0.9999849011134886
Energy: 1.0434959824299643
Energy: 1.0614804180897968
Energy: 1.007365735303692
Energy: 1.0106353396035042
Energy: 0.9971408739711118
Energy: 0.9959804175435832
Energy: 1.0099323512120353
Energy: 1.0716364481355525
Energy: 0.9934176610968828
Energy: 0.9939762330900864
Energy: 0.9960525729215026
Energy: 1.3086954036459564
Energy: 0.9983035130720253
Energy: 1.0609763131982637
Energy: 0.996986780605887
Energy: 0.9951367074532674
Energy: 0.9944393547986745
Energy: 0.9946665553637112
Energy: 0.9946353225396177
Energy: 1.2155306495263993
Energy: 0.9961151016504619
Energy: 0.9987485316212241
Energy: 1.0006084147978385
Energy: 0.9970195300033707
Energy: 0.9938779125024597

minimum gb energy = 0.9849715468079246 eV
minimum distance =  2.36542289555075 Angstroms
sigma value = 33


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

Energy: 1.3930078175585536
Energy: 1.2591653733878396
Energy: 1.11683287063433
Energy: 1.2629584447075886
Energy: 1.1002770005156335
Energy: 1.1171616313341557
Energy: 1.1941645028648322
Energy: 1.0914016799395556
Energy: 1.0893984774790149
Energy: 1.0938275669361959
Energy: 1.0919153709622416
Energy: 1.0891461516780947
Energy: 1.1564183320898913
Energy: 1.093483738218686
Energy: 1.0924199575045697
Energy: 1.0947567438525467
Energy: 1.0955350204792622
Energy: 1.092466130538731
Energy: 1.1558972641357579
Energy: 1.0932795673885747
Energy: 1.0917979961800834
Energy: 1.0917579691380743
Energy: 1.0952108957478635
Energy: 1.0913074369208915
Energy: 1.3091424249760502
Energy: 1.0866328877256497
Energy: 1.1730416033775513
Energy: 1.1664865511125173
Energy: 1.0854094809536983
Energy: 1.1711801918107339
Energy: 1.3190373424675852
Energy: 1.0856217814784228
Energy: 1.0850467415005267
Energy: 1.2140089484653118
Energy: 1.085144829100155
Energy: 1.0836073746771795
Energy: 1.2134959860785248
Energy: 1.17916492420626
Energy: 1.1759674609366289
Energy: 1.1665183685353069
Energy: 1.174632571341178
Energy: 1.1691705064731015
Energy: 1.4068718561955
Energy: 1.2354853396725132
Energy: 1.1492039365310653
Energy: 1.1117879245148272
Energy: 1.2357038095984187
Energy: 1.1454042581646493
Energy: 1.2131001042566358
Energy: 1.0925990147757039
Energy: 1.0906940153067273
Energy: 1.0892344408011763
Energy: 1.0859014787776435
Energy: 1.0963433632181991
Energy: 1.4087770409560552
Energy: 1.093479794274221
Energy: 1.09416573399207
Energy: 1.0772873537027376
Energy: 1.086415826394147
Energy: 1.0951318531611558
Energy: 1.2151660111020341
Energy: 1.0931664635257103
Energy: 1.0765183329629013
Energy: 1.0782328598044704
Energy: 1.0948760877744652
Energy: 1.0788606504714633
Energy: 1.2145521300007533
Energy: 1.0673961022081264
Energy: 1.069165352065338
Energy: 1.0791486023985057
Energy: 1.0647136437376785
Energy: 1.0687277180631236
Energy: 1.1446814449114238
Energy: 1.066293882476026
Energy: 1.0694205503478749
Energy: 1.0755988571104955
Energy: 1.0629431745450404
Energy: 1.06406979688214
Energy: 1.1481296378871833
Energy: 1.0785881771343313
Energy: 1.0767444731094942
Energy: 1.0770685923834147
Energy: 1.0782383386902226
Energy: 1.0768860073116722
Energy: 1.1004271174174307
Energy: 1.077586998457622
Energy: 1.0770971014733297
Energy: 1.0768656183370702
Energy: 1.0762736211118824
Energy: 1.0771545513722809
Energy: 1.1487167677523376
Energy: 1.07980965043774
Energy: 1.0788740092750768
Energy: 1.0779949396081179
Energy: 1.083744545832975
Energy: 1.0768787004325377
Energy: 1.228606817639285
Energy: 1.1992502869241244
Energy: 1.08533186963787
Energy: 1.085349937511634
Energy: 1.192680561826049
Energy: 1.0862501289351214
Energy: 1.2309818026495114
Energy: 1.1753435935575614
Energy: 1.1832363752558952
Energy: 1.0876233681263874
Energy: 1.1753808628178906
Energy: 1.182646864871481
Energy: 1.1536854717088119
Energy: 1.0759965625832182
Energy: 1.0816293695987917
Energy: 1.1815784926922404
Energy: 1.078232255685585
Energy: 1.1841262883952512
Energy: 1.2519853713949105
Energy: 1.0827832915588136
Energy: 1.0789475258138361
Energy: 1.1849313583834968
Energy: 1.0785623860195155
Energy: 1.1848814131997052
Energy: 1.1274152114079492
Energy: 1.0978656634703359
Energy: 1.100042914626421
Energy: 1.0867401796394263
Energy: 1.1018298558830255
Energy: 1.0989170773537984
Energy: 1.1318368378421997
Energy: 1.110519622299363
Energy: 1.1110557928998046
Energy: 1.088563304304109
Energy: 1.112331986252446
Energy: 1.1127404294883476
Energy: 1.1809999109960962
Energy: 1.0780648273960058
Energy: 1.076696496122358
Energy: 1.0965580095668366
Energy: 1.0812583409666319
Energy: 1.0961082769470827
Energy: 1.1995371106226165
Energy: 1.0750980102285945
Energy: 1.0641256300157982
Energy: 1.0655207933617108
Energy: 1.0757802238300485
Energy: 1.0617160596243804
Energy: 1.196024535401856
Energy: 1.0890825056853264
Energy: 1.0901997600704387
Energy: 1.2061093961951501
Energy: 1.0840326946758108
Energy: 1.0882984940537577
Energy: 1.1694011475336177
Energy: 1.0777763701393102
Energy: 1.078650479248279
Energy: 1.1144101892976366
Energy: 1.0783523757411788
Energy: 1.079753822335753
Energy: 1.1683026832387817
Energy: 1.080268679957443
Energy: 1.0803045142374774
Energy: 1.0822396778769696
Energy: 1.0791345774239491
Energy: 1.0804709946694788
Energy: 1.3046745400436055
Energy: 1.178001029393911
Energy: 1.1861873826920524
Energy: 1.1805842377123357
Energy: 1.091646555936731
Energy: 1.185864134772718
Energy: 1.3285696729342258
Energy: 1.0874866376402303
Energy: 1.1219322915888874
Energy: 1.086252082864665
Energy: 1.086331274418113
Energy: 1.1190060759189044
Energy: 1.2147402773232021
Energy: 1.1865179166380917
Energy: 1.1859061220842344
Energy: 1.1820747883644884
Energy: 1.1861848828380857
Energy: 1.1834397728526491
Energy: 1.4078055089956047
Energy: 1.122330232904164
Energy: 1.1452292809754896
Energy: 1.240304326631217
Energy: 1.1243221116229234
Energy: 1.1428998493644902
Energy: 1.2111928246011046
Energy: 1.1891484352657256
Energy: 1.1885787389598823
Energy: 1.181113117499474
Energy: 1.1868870992586664
Energy: 1.1855915176697447
Energy: 1.2165551354714814
Energy: 1.09500354023028
Energy: 1.094531559586028
Energy: 1.0780197081539271
Energy: 1.093754888023565
Energy: 1.093902351514999
Energy: 1.216279931544712
Energy: 1.0949529782897713
Energy: 1.0944792741438505
Energy: 1.0776797828442757
Energy: 1.0936972808950047
Energy: 1.0783156965476672
Energy: 1.2139293251776577
Energy: 1.0672915430354764
Energy: 1.0823785463295579
Energy: 1.0763312259673647
Energy: 1.0661715171442683
Energy: 1.090806894942482
Energy: 1.1601169531669793
Energy: 1.0675080694149741
Energy: 1.0655624495689289
Energy: 1.075360148391778
Energy: 1.0633572812412264
Energy: 1.0638833294806764
Energy: 1.1506979582857593
Energy: 1.0746356188173067
Energy: 1.0746476529943656
Energy: 1.0767231882651183
Energy: 1.0755859657894127
Energy: 1.0800311084311933
Energy: 1.1849348732344074
Energy: 1.0770537113956196
Energy: 1.075736673701974
Energy: 1.1517515614655571
Energy: 1.0771327196961593
Energy: 1.0781531450743593
Energy: 1.1505485416674948
Energy: 1.0761901846840498
Energy: 1.0774493763024446
Energy: 1.0828672286279974
Energy: 1.0793971652018153
Energy: 1.0768791397918485
Energy: 1.2311716142726365
Energy: 1.1904527898643251
Energy: 1.1901670133212408
Energy: 1.0849531978923108
Energy: 1.2196139336261593
Energy: 1.085580290352328
Energy: 1.2310237624453326
Energy: 1.084820035264379
Energy: 1.1745045929440037
Energy: 1.0847484423570903
Energy: 1.1821082477994684
Energy: 1.1817491165957545
Energy: 1.1490805837752405
Energy: 1.0816773392993506
Energy: 1.0744231232721901
Energy: 1.1699549134906047
Energy: 1.0770909095440626
Energy: 1.075014081019625
Energy: 1.2586642529360972
Energy: 1.0767418299824976
Energy: 1.0745214182959149
Energy: 1.1966560142635405
Energy: 1.0778734678496222
Energy: 1.0766421418763492
Energy: 1.118307101978235
Energy: 1.11125112276125
Energy: 1.1124234027542503
Energy: 1.099211221087466
Energy: 1.1057164576669467
Energy: 1.112335058440793
Energy: 1.1163830596741366
Energy: 1.0987381819210829
Energy: 1.1017421326625896
Energy: 1.1061657993461704
Energy: 1.1043212820584938
Energy: 1.1007784716802886
Energy: 1.1573057147490646
Energy: 1.0936037613245304
Energy: 1.091139139028297
Energy: 1.1090062118601296
Energy: 1.0980174478519478
Energy: 1.0898580375964568
Energy: 1.3908123062762365
Energy: 1.0939543887800272
Energy: 1.0717845449155372
Energy: 1.1759233181539865
Energy: 1.0888036336956706
Energy: 1.0727762022334455

minimum gb energy = 1.0617160596243804 eV
minimum distance =  2.37127694821551 Angstroms
sigma value = 67


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

Energy: 1.7391865113829175
Energy: 1.2472305085422999
Energy: 1.2462353594143771
Energy: 1.2442346029301234
Energy: 1.1334095600858833
Energy: 1.2448269179793043
Energy: 1.2746809951336318
Energy: 1.1600707816442144
Energy: 1.1588829872827808
Energy: 1.158430608670489
Energy: 1.159858252184264
Energy: 1.1583982516041513
Energy: 1.194298688355618
Energy: 1.1190963144358836
Energy: 1.118778969515445
Energy: 1.1219575835805717
Energy: 1.1167603574681924
Energy: 1.1185378686964442
Energy: 1.193456573286328
Energy: 1.1191631020644992
Energy: 1.1190474296110504
Energy: 1.1212334169365115
Energy: 1.1196493719979095
Energy: 1.1195829600527727
Energy: 1.2405011031915267
Energy: 1.1606179232975486
Energy: 1.1656638495687732
Energy: 1.163985724427744
Energy: 1.1607361187290532
Energy: 1.1627444355730752
Energy: 1.2416775869372487
Energy: 1.1476986159959561
Energy: 1.1649110849287103
Energy: 1.1661924386001745
Energy: 1.1458099448183194
Energy: 1.163757613693898
Energy: 1.2741206153272886
Energy: 1.1606493051302245
Energy: 1.159588603857264
Energy: 1.1217423019508797
Energy: 1.159974001892555
Energy: 1.1588571614834773

minimum gb energy = 1.1167603574681924 eV
minimum distance =  2.37797026480669 Angstroms
sigma value = 3


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

Energy: 1.769574986387534
Energy: 1.386922040595402
Energy: 1.1872535628984693
Energy: 1.3745206948030508
Energy: 1.3790238684999578
Energy: 1.2770302526670356
Energy: 1.397838053290165
Energy: 1.3374795509361839
Energy: 1.2605393880998519
Energy: 1.252333396124608
Energy: 1.265038074534333
Energy: 1.2590062308015497
Energy: 1.5137393369479721
Energy: 1.32609605656153
Energy: 1.3248150949639703
Energy: 1.3529249356399042
Energy: 1.3824435877725647
Energy: 1.409296006895734
Energy: 1.4152594951253583
Energy: 1.2732317133418796
Energy: 1.2639752474342758
Energy: 1.248938360139612
Energy: 1.329311902346685
Energy: 1.2558391397951876
Energy: 1.4394245863505335
Energy: 1.2221096837122183
Energy: 1.3800425399002285
Energy: 1.2334787799381932
Energy: 1.2267630494703816
Energy: 1.22090550479915
Energy: 1.491274410696829
Energy: 1.2151882875316617
Energy: 1.2131307948732901
Energy: 1.2635830366409437
Energy: 1.2180271801659706
Energy: 1.2184082350440022
Energy: 1.4658127953923894
Energy: 1.217652803469995
Energy: 1.216693589735808
Energy: 1.2329317338094308
Energy: 1.2150188930266286
Energy: 1.232039322936493
Energy: 1.7329257507809508
Energy: 1.4492444679144607
Energy: 1.3975938573030606
Energy: 1.432584894963871
Energy: 1.4584673956562209
Energy: 1.4468139733640766
Energy: 1.440299188685474
Energy: 1.5577132737931307
Energy: 1.4217834229344888
Energy: 1.219399481533962
Energy: 1.3705964913151625
Energy: 1.4200109746185816
Energy: 1.612653599187919
Energy: 1.484636869690344
Energy: 1.4765246063704203
Energy: 1.4603441547656049
Energy: 1.4728060584733622
Energy: 1.4321662485059792
Energy: 1.495719072608727
Energy: 1.276345611480036
Energy: 1.3278163431329422
Energy: 1.3856967065411083
Energy: 1.2732798719550964
Energy: 1.3743074311408554
Energy: 1.5023794902090455
Energy: 1.373242736716223
Energy: 1.3844907802002844
Energy: 1.3887741933162268
Energy: 1.3739792874340988
Energy: 1.3826323671227816
Energy: 1.3866827246428859
Energy: 1.3684152851310074
Energy: 1.3798601974512648
Energy: 1.283381737866099
Energy: 1.3733886861383688
Energy: 1.3823839549622239
Energy: 1.577686428218497
Energy: 1.4075214011077906
Energy: 1.5503357667700115
Energy: 1.428261974066688
Energy: 1.4065868055913866
Energy: 1.5485957560202426
Energy: 1.5301357102139785
Energy: 1.4729594823066743
Energy: 1.4657422355291652
Energy: 1.3596199517099261
Energy: 1.4675375162083224
Energy: 1.4861165224323947
Energy: 1.5986672965384041
Energy: 1.4417761531423559
Energy: 1.4381884925683586
Energy: 1.437227420532251
Energy: 1.4309991467486864
Energy: 1.4387018635223756
Energy: 1.6054036922364165
Energy: 1.462172244904575
Energy: 1.461019075407105
Energy: 1.4252484374036478
Energy: 1.4431850017762615
Energy: 1.4087187187775334
Energy: 1.6226950864818894
Energy: 1.3602313115700273
Energy: 1.4939245182210172
Energy: 1.4374228362593076
Energy: 1.4168803047003358
Energy: 1.4351691873012313
Energy: 1.5246862139992319
Energy: 1.4313302720678707
Energy: 1.4352668226173813
Energy: 1.3903739364454573
Energy: 1.427158281966599
Energy: 1.3947888387642524
Energy: 1.479617178678077
Energy: 1.4843444616394201
Energy: 1.4349417459606935
Energy: 1.3951580683213676
Energy: 1.480462096433754
Energy: 1.3895541943148675
Energy: 1.4580958362224445
Energy: 1.3618229165845679
Energy: 1.36225705798175
Energy: 1.358415653846537
Energy: 1.3658533125359653
Energy: 1.3605720361909193
Energy: 1.4543612753239288
Energy: 1.3583935724745682
Energy: 1.3550288294124875
Energy: 1.348568086379781
Energy: 1.3585693558595542
Energy: 1.3546841549851496
Energy: 1.4579130077070297
Energy: 1.3571747664627287
Energy: 1.3660296664883078
Energy: 1.3561231964525187
Energy: 1.3596931172209952
Energy: 1.3645176285426917
Energy: 1.5376157620483037
Energy: 1.4303734048144967
Energy: 1.4336653976010156
Energy: 1.4614654546332655
Energy: 1.4278529641098892
Energy: 1.5034116340288641
Energy: 1.4733110207668705
Energy: 1.4500319062919373
Energy: 1.449693967364037
Energy: 1.4246919669240259
Energy: 1.4485289407525321
Energy: 1.438758603504718
Energy: 1.4858023292752267
Energy: 1.4413458637581908
Energy: 1.2326538234574405
Energy: 1.243889866400713
Energy: 1.4482858940273446
Energy: 1.248971900080979
Energy: 1.2759208919857572
Energy: 1.4781497174411233
Energy: 1.3280826871089246
Energy: 1.2462709195747161
Energy: 1.4484461701607718
Energy: 1.2518283039143345
Energy: 1.474715515810099
Energy: 1.4416944987223208
Energy: 1.4392498211235076
Energy: 1.4243558890587364
Energy: 1.4486763628689967
Energy: 1.4273573253483085
Energy: 1.529399857740354
Energy: 1.383827804140203
Energy: 1.376467739194283
Energy: 1.5021700279765184
Energy: 1.3801133988386833
Energy: 1.4448887412001419
Energy: 1.5552597493286209
Energy: 1.3911574848078603
Energy: 1.389658703563731
Energy: 1.5101412801077425
Energy: 1.363608209754464
Energy: 1.3992849735177812
Energy: 1.4916738723128349
Energy: 1.4239632543644531
Energy: 1.4237150385823192
Energy: 1.424716597244461
Energy: 1.4199972967699426
Energy: 1.4256071202464695
Energy: 1.444615001228434
Energy: 1.3940664208000713
Energy: 1.395794406794942
Energy: 1.385535472903299
Energy: 1.3886116639491197
Energy: 1.3969565814254883
Energy: 1.5372351187605504
Energy: 1.4274243201784322
Energy: 1.4272952102344874
Energy: 1.4141832870513924
Energy: 1.4635768421301711
Energy: 1.361518193959652
Energy: 1.492218506569289
Energy: 1.372548948961871
Energy: 1.372952149089211
Energy: 1.3772214714292184
Energy: 1.3667903760184323
Energy: 1.3742773143621696
Energy: 1.4436874056382576
Energy: 1.3896429279806994
Energy: 1.3785258420009259
Energy: 1.3864385200780767
Energy: 1.3292358428770898
Energy: 1.3821371485408611
Energy: 1.5199211078008459
Energy: 1.479323436676037
Energy: 1.4797237809671253
Energy: 1.3680420438903054
Energy: 1.4738912113098894
Energy: 1.438070367738006
Energy: 1.49810116788284
Energy: 1.3693567164092266
Energy: 1.3762089939785886
Energy: 1.3785840033907295
Energy: 1.3749925532323048
Energy: 1.3764088998994546
Energy: 1.3889829830173253
Energy: 1.3694713026389544
Energy: 1.3695787262550598
Energy: 1.2812052884423593
Energy: 1.3756341209845988
Energy: 1.4031095937768259
Energy: 1.464496178025458
Energy: 1.3758153223584482
Energy: 1.379906734518381
Energy: 1.3663471843084756
Energy: 1.375916383643211
Energy: 1.378928098477172
Energy: 1.4345804250596073
Energy: 1.4729176155661257
Energy: 1.4746692024768355
Energy: 1.3569643150350523
Energy: 1.4690644873195753
Energy: 1.4850447835930305
Energy: 1.604070578222157
Energy: 1.4303815728303924
Energy: 1.4414948235759488
Energy: 1.4414216441198957
Energy: 1.4284408881545338
Energy: 1.4458181873325182
Energy: 1.568751218024966
Energy: 1.3130508422480764
Energy: 1.2997874306182662
Energy: 1.4914486975399772
Energy: 1.4105046829719132
Energy: 1.4372466179267156
Energy: 1.7087767424729454
Energy: 1.3694039616759002
Energy: 1.363237624023963
Energy: 1.4931321976436125
Energy: 1.3679829981968519
Energy: 1.3545835759753553
Energy: 1.622196731685938
Energy: 1.425404212391242
Energy: 1.4311564210038412
Energy: 1.2825972567031032
Energy: 1.4255470463421833
Energy: 1.4362713872200255
Energy: 1.6778723729664458
Energy: 1.2842090873491667
Energy: 1.4529883254894937
Energy: 1.4466274781191093
Energy: 1.498170052330829
Energy: 1.4530444885268914
Energy: 1.4512407940005294
Energy: 1.1918686168703418
Energy: 1.1853843361466758
Energy: 1.1877375800025927
Energy: 1.1876295871276255
Energy: 1.1855722923245047
Energy: 1.4486041545985817
Energy: 1.3520008217677113
Energy: 1.1967948354068478
Energy: 1.1873733635222619
Energy: 1.1957702898710374
Energy: 1.3552394000605932
Energy: 1.4516094271010935
Energy: 1.18997883771345
Energy: 1.350817996893205
Energy: 1.2092785326071873
Energy: 1.1861339794998935
Energy: 1.1913898223374504
Energy: 1.4777844086400314
Energy: 1.3724986191993818
Energy: 1.254902638362673
Energy: 1.293668707462085
Energy: 1.3731572492026172
Energy: 1.266023665500996
Energy: 1.4742671379697192
Energy: 1.377243501966617
Energy: 1.3676000607678225
Energy: 1.3377476408465685
Energy: 1.3653507229897752
Energy: 1.4095316281414376
Energy: 1.3934654774681547
Energy: 1.3208953085724042
Energy: 1.2824247242545872
Energy: 1.2354925240106969
Energy: 1.271310502821496
Energy: 1.264313668601411

minimum gb energy = 1.1853843361466758 eV
minimum distance =  2.35176462218449 Angstroms
sigma value = 81


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

Energy: 2.745949943554878
Energy: 1.394750743526973
Energy: 1.3666954262023603
Energy: 1.3597282117848954
Energy: 1.6333404463876837
Energy: 1.4146626845999615
Energy: 1.331500648839272
Energy: 1.2558397963578962
Energy: 1.3031772772828218
Energy: 1.2245537016443675
Energy: 1.2274143129200616
Energy: 1.1526685181721588
Energy: 1.4743170665533394
Energy: 1.2678079305844383
Energy: 1.267457788204
Energy: 1.2465685303717522
Energy: 1.2676604708458294
Energy: 1.441835382425077
Energy: 1.4681601043720196
Energy: 1.27568699899275
Energy: 1.1439876428289102
Energy: 1.2243468030886753
Energy: 1.267887729510466
Energy: 1.2282703012453475
Energy: 1.5540401196248625
Energy: 1.2798204502843733
Energy: 1.491122890038975
Energy: 1.2718081126690564
Energy: 1.2704967346569709
Energy: 1.273061899914121
Energy: 1.6083361803722889
Energy: 1.280339524176787
Energy: 1.281074304949184
Energy: 1.3173326188542211
Energy: 1.2691579323860793
Energy: 1.4886256235907271
Energy: 1.550702881119344
Energy: 1.2683323864494092
Energy: 1.2770162037120798
Energy: 1.2938569571883685
Energy: 1.2690652793320283
Energy: 1.2644356484138284
Energy: 1.728395710585842
Energy: 1.5031383011413952
Energy: 1.504666036070324
Energy: 1.4013620886399962
Energy: 1.5042492540331258
Energy: 1.4613142556229912
Energy: 1.5296475349093006
Energy: 1.4931779085831252
Energy: 1.4992749110185262
Energy: 1.533874383030082
Energy: 1.4963278815245091
Energy: 1.496142342247652
Energy: 1.5756202799971604
Energy: 1.2761927896468677
Energy: 1.2642877190986923
Energy: 1.516043645179113
Energy: 1.261481749103826
Energy: 1.2682847460515108
Energy: 1.5261758812420303
Energy: 1.2449956406141127
Energy: 1.2682914431431365
Energy: 1.4884533484704385
Energy: 1.2402608735773626
Energy: 1.4817479296415115
Energy: 1.3880795923541895
Energy: 1.3831478450644366
Energy: 1.3791090390090186
Energy: 1.2702089187406316
Energy: 1.3781544496743914
Energy: 1.3834088660251451
Energy: 1.388009738648304
Energy: 1.3910711193898413
Energy: 1.3752951531424022
Energy: 1.2677259824541747
Energy: 1.4177275064070527
Energy: 1.272897070148763
Energy: 1.5719855027501384
Energy: 1.423002914218703
Energy: 1.4262552058346238
Energy: 1.4266728908253334
Energy: 1.4246638426983607
Energy: 1.4233686605290687
Energy: 1.6525382253984844
Energy: 1.52823252801639
Energy: 1.5319923477266566
Energy: 1.4997720359951072
Energy: 1.5343142895641704
Energy: 1.5755358398089039
Energy: 1.6474052021172738
Energy: 1.494269844395008
Energy: 1.4982183788346806
Energy: 1.4988608656539777
Energy: 1.5039830624383121
Energy: 1.4995104063466318
Energy: 1.7197607668837884
Energy: 1.3807636364430496
Energy: 1.4437181291439616
Energy: 1.5265620727582243
Energy: 1.3721523038108012
Energy: 1.4081043993667226
Energy: 1.6848889964337854
Energy: 1.5083240783470995
Energy: 1.5075966099030675
Energy: 1.5188682535232545
Energy: 1.491039871362743
Energy: 1.5079036415559797
Energy: 1.6386151695787612
Energy: 1.506443110659954
Energy: 1.4944506635114094
Energy: 1.4633795523160336
Energy: 1.5001342793561212
Energy: 1.501179035734828
Energy: 1.6387831056502171
Energy: 1.5002555504341677
Energy: 1.5053222302967713
Energy: 1.5041311351476006
Energy: 1.5005444638176502
Energy: 1.5022305969453422
Energy: 1.4728292864480426
Energy: 1.43600849850665
Energy: 1.3978539120601599
Energy: 1.3977808097741573
Energy: 1.3993502073361672
Energy: 1.397076335583137
Energy: 1.5625103608577073
Energy: 1.2720798189576492
Energy: 1.2707375758090171
Energy: 1.3995690789468564
Energy: 1.2733279433532505
Energy: 1.2721810124105106
Energy: 1.553960209774417
Energy: 1.4216283130228704
Energy: 1.4218425987095722
Energy: 1.431040026683192
Energy: 1.424447934987682
Energy: 1.4232448536610902
Energy: 1.6066037959911061
Energy: 1.5088358596861504
Energy: 1.5086226638624693
Energy: 1.5406834277055763
Energy: 1.538380734335136
Energy: 1.5090860810448845
Energy: 1.5453883427032507
Energy: 1.5046838043741542
Energy: 1.5034745135458614
Energy: 1.5106313589352425
Energy: 1.503840964933779
Energy: 1.5031379424390594
Energy: 1.5278807121416107
Energy: 1.491389332089124
Energy: 1.506506104205162
Energy: 1.3729895474748224
Energy: 1.4906825447981151
Energy: 1.5016838095277296
Energy: 1.530125771145992
Energy: 1.4988040695231857
Energy: 1.4999944865306052
Energy: 1.3772428233935963
Energy: 1.4985989605579604
Energy: 1.5004619037401097
Energy: 1.5257197031173961
Energy: 1.2403428108504295
Energy: 1.4821571030258829
Energy: 1.488725301369041
Energy: 1.2376354696828002
Energy: 1.483114846281707
Energy: 1.5818797258821278
Energy: 1.2643505719227426
Energy: 1.2639530186364252
Energy: 1.513757257777121
Energy: 1.2602478369237868
Energy: 1.2718728734035014
Energy: 1.522339454999279
Energy: 1.3782069245658641
Energy: 1.3789481262991856
Energy: 1.4289350291375758
Energy: 1.3803685176672196
Energy: 1.3780285836519965
Energy: 1.3917349102141465
Energy: 1.3778387804163854
Energy: 1.3942198401073596
Energy: 1.2684370102674816
Energy: 1.4340684622382809
Energy: 1.2686585333965723
Energy: 1.560641553600068
Energy: 1.280951327856135
Energy: 1.302894243567196
Energy: 1.1467150042098349
Energy: 1.1982506654230347
Energy: 1.2901248939929648
Energy: 1.6459857670534777
Energy: 1.27574423790365
Energy: 1.2743922850810474
Energy: 1.270334056260185
Energy: 1.2735745475788358
Energy: 1.2718741494753998
Energy: 1.6440079877529448
Energy: 1.274297114950786
Energy: 1.4855729038664356
Energy: 1.2650039745644581
Energy: 1.2740425363821644
Energy: 1.2743523167560387
Energy: 1.6844058392728534
Energy: 1.3250874348336417
Energy: 1.2667546491643573
Energy: 1.3653286742135042
Energy: 1.3777693334647774
Energy: 1.3509556887162515
Energy: 1.663521214835493
Energy: 1.3689744822888008
Energy: 1.368088580660743
Energy: 1.3394264626143546
Energy: 1.3711279565033636
Energy: 1.5847391855813884
Energy: 1.7325422626688338
Energy: 1.2685280635521783
Energy: 1.3963095989652052
Energy: 1.3639392022494747
Energy: 1.263840436305591
Energy: 1.2686295155269143
Energy: 1.5958986797449346
Energy: 1.3178065035827595
Energy: 1.3166845069291508
Energy: 1.3307970685163315
Energy: 1.316638927718506
Energy: 1.4348340020725296

minimum gb energy = 1.1439876428289102 eV
minimum distance =  2.20547574027175 Angstroms
sigma value = 43


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

Energy: 1.782321961965731
Energy: 1.2305568265489852
Energy: 1.1903373082408955
Energy: 1.4055304756681954
Energy: 1.2622713495753382
Energy: 1.474140482705973
Energy: 1.2479006626383768
Energy: 1.152737727767749
Energy: 1.201142538628381
Energy: 1.2613976989878937
Energy: 1.1532427848602584
Energy: 1.2020337964632353
Energy: 1.3330843388134594
Energy: 1.2305681680711287
Energy: 1.245780711532703
Energy: 1.289196843732076
Energy: 1.2508562559069099
Energy: 1.2651354960596524
Energy: 1.273395288424354
Energy: 1.2499694758729663
Energy: 1.270424580186628
Energy: 1.272838926560708
Energy: 1.249865690468777
Energy: 1.2586130763229175
Energy: 1.2082664746673162
Energy: 1.1314459726184172
Energy: 1.1318482560056582
Energy: 1.1335274738564156
Energy: 1.131602875805813
Energy: 1.1317751210563096
Energy: 1.2037715544240886
Energy: 1.1318886804770354
Energy: 1.1313657317626422
Energy: 1.132035021505711
Energy: 1.131724337852234
Energy: 1.1312086336564664
Energy: 1.2019945626617885
Energy: 1.1329694333430966
Energy: 1.1334660354936816
Energy: 1.1333613804950833
Energy: 1.1365833246015686
Energy: 1.1328638246707765
Energy: 1.3376417300612473
Energy: 1.2914533103029064
Energy: 1.2853217974073952
Energy: 1.2092236761680224
Energy: 1.3244920851824096
Energy: 1.302779110135204
Energy: 1.2004973506976506
Energy: 1.2613302297594216
Energy: 1.2768317608913247
Energy: 1.1601878465427982
Energy: 1.2557293876083113
Energy: 1.2672259792090768
Energy: 1.4868525211491692
Energy: 1.3056392829967165
Energy: 1.303337769920097
Energy: 1.2431604473679547
Energy: 1.2987073414467298
Energy: 1.3024646898362546
Energy: 1.2028999064644263
Energy: 1.2851814466262295
Energy: 1.2836235907340032
Energy: 1.155147709524713
Energy: 1.3256365762816829
Energy: 1.1527295976401402
Energy: 1.385128578456383
Energy: 1.2566282948274101
Energy: 1.2630763788058736
Energy: 1.1720768159871167
Energy: 1.2595797498145205
Energy: 1.2781310671438544
Energy: 1.3870147942090696
Energy: 1.258249859665005
Energy: 1.2925566482587103
Energy: 1.2588023955279333
Energy: 1.2958009153653671
Energy: 1.2937337657194206
Energy: 1.2021712711085797
Energy: 1.1550990811823223
Energy: 1.1557920558205963
Energy: 1.153358589907765
Energy: 1.1537107277023646
Energy: 1.1559670397807027
Energy: 1.1998236939582576
Energy: 1.1537338219012363
Energy: 1.1545045348178695
Energy: 1.1537064597643034
Energy: 1.134151425535071
Energy: 1.153869638914658
Energy: 1.1966335213386834
Energy: 1.1337450617305935
Energy: 1.1387512090310175
Energy: 1.1559979218926468
Energy: 1.1327486413048184
Energy: 1.1619594508424145
Energy: 1.228744412306575
Energy: 1.214845248652429
Energy: 1.2149225280674685
Energy: 1.2076495324208552
Energy: 1.16009358665592
Energy: 1.2124967701524887
Energy: 1.2325997564155329
Energy: 1.202725774005457
Energy: 1.2029707455494143
Energy: 1.20581040318293
Energy: 1.2055460328313081
Energy: 1.2036780325343026
Energy: 1.4627205854485232
Energy: 1.1994205776948408
Energy: 1.205603515946063
Energy: 1.3137011226560447
Energy: 1.2051012359781217
Energy: 1.2762048476174292
Energy: 1.451314874132717
Energy: 1.2031987776820559
Energy: 1.2071257533135191
Energy: 1.3128436180370031
Energy: 1.2056781131821532
Energy: 1.2775051690255583
Energy: 1.233117557329562
Energy: 1.1980304623192264
Energy: 1.2030873775295539
Energy: 1.201705944861578
Energy: 1.1717855212199897
Energy: 1.2064640129963793
Energy: 1.3230572710829493
Energy: 1.328292096861728
Energy: 1.3926647467564395
Energy: 1.201940794296514
Energy: 1.2711396787614306
Energy: 1.4400819440981616
Energy: 1.3992478840872937
Energy: 1.1995551100016402
Energy: 1.202227344195586
Energy: 1.188201498803556
Energy: 1.196813307616007
Energy: 1.2019777923676986
Energy: 1.2866158534097554
Energy: 1.2074763714556391
Energy: 1.2109690166964933
Energy: 1.1752284494365357
Energy: 1.207840651058379
Energy: 1.2110963377905157
Energy: 1.4026522878595113
Energy: 1.207695223429114
Energy: 1.2005818692040517
Energy: 1.1951820914021265
Energy: 1.2140286647114626
Energy: 1.2087398712331083
Energy: 1.252045208218536
Energy: 1.1539376277514661
Energy: 1.155002696636232
Energy: 1.1520277014877207
Energy: 1.156399177045461
Energy: 1.1550608458832552
Energy: 1.2504713907828588
Energy: 1.15407450728154
Energy: 1.1535906859231857
Energy: 1.1554215340190688
Energy: 1.1565012064319156
Energy: 1.153106130234701
Energy: 1.2514000787411528
Energy: 1.1539752772119614
Energy: 1.1542234488263616
Energy: 1.1574869237548426
Energy: 1.1527501496975487
Energy: 1.153143254986006
Energy: 1.3460108246126699
Energy: 1.295402300201954
Energy: 1.2905581786359375
Energy: 1.3183281610582724
Energy: 1.2251824676077279
Energy: 1.2158661426658663
Energy: 1.2701826236222458
Energy: 1.1545977838151937
Energy: 1.1539464995478608
Energy: 1.2658496660513252
Energy: 1.153156950595808
Energy: 1.2682104710333402
Energy: 1.508491398082102
Energy: 1.2030323772252651
Energy: 1.2411773630404208
Energy: 1.3364923145531116
Energy: 1.2031756450895519
Energy: 1.2484647495638421

minimum gb energy = 1.1312086336564664 eV
minimum distance =  2.356849627748 Angstroms
sigma value = 57


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

Energy: 1.5790221979596037
Energy: 1.4561940386323293
Energy: 1.4045117651829973
Energy: 1.2119345131572257
Energy: 1.5435727317150671
Energy: 1.4076368293361856
Energy: 1.1471974079665115
Energy: 1.111308996653913
Energy: 1.105292653201695
Energy: 1.2232084957893994
Energy: 1.1045852186928489
Energy: 1.1071985680843408
Energy: 1.2637559563751186
Energy: 1.1105746029185743
Energy: 1.109558820594634
Energy: 1.2238871005596277
Energy: 1.10446266161603
Energy: 1.1090818991125555
Energy: 1.293373747677845
Energy: 1.1097083695320815
Energy: 1.1096717640476972
Energy: 1.1061268717509876
Energy: 1.1025230775677128
Energy: 1.1059402979494803
Energy: 1.1762690228914927
Energy: 1.1010052706503233
Energy: 1.1006962848616852
Energy: 1.1057069890583717
Energy: 1.1016967546710805
Energy: 1.1007783799955708
Energy: 1.146703509473187
Energy: 1.1009988214338238
Energy: 1.1007125085956695
Energy: 1.1009015978613794
Energy: 1.1003359543751527
Energy: 1.1006069121207513
Energy: 1.3376847331931525
Energy: 1.1020976190946867
Energy: 1.1048543654427578
Energy: 1.1023322317412978
Energy: 1.1028787301128193
Energy: 1.127140069846037
Energy: 1.1877457145175352
Energy: 1.2221031103345508
Energy: 1.212266491600567
Energy: 1.1179192317960174
Energy: 1.2266044365600193
Energy: 1.2760381210182354
Energy: 1.3366461439869004
Energy: 1.212021769829116
Energy: 1.1911948989877712
Energy: 1.1054182483232942
Energy: 1.2158564522714823
Energy: 1.1073182221278517
Energy: 1.5835494200205185
Energy: 1.2273373918917116
Energy: 1.2593530772889525
Energy: 1.3328252830582301
Energy: 1.229459400272299
Energy: 1.2591491841341242
Energy: 1.2143930344378566
Energy: 1.1298516240444303
Energy: 1.1038206882874835
Energy: 1.216437848667585
Energy: 1.1302170251849986
Energy: 1.192651624402617
Energy: 1.144210740425023
Energy: 1.2127430332409823
Energy: 1.212515691854237
Energy: 1.1063536087413646
Energy: 1.2191641271162859
Energy: 1.2488546586467568
Energy: 1.1426334556579547
Energy: 1.223119255115699
Energy: 1.3211274958630148
Energy: 1.3219223084706784
Energy: 1.25294301530983
Energy: 1.326415772662692
Energy: 1.228478168735466
Energy: 1.1095291938410803
Energy: 1.1073718960377499
Energy: 1.215192904728707
Energy: 1.1061448451085123
Energy: 1.1060520231751299
Energy: 1.2741915923653784
Energy: 1.1062888483344804
Energy: 1.110612080935148
Energy: 1.2228093330627205
Energy: 1.101514705055879
Energy: 1.1103610413221425
Energy: 1.2955071450546878
Energy: 1.1024350934276927
Energy: 1.1029861854297065
Energy: 1.1078307885232224
Energy: 1.109854495816317
Energy: 1.1032746431771543
Energy: 1.168765660234223
Energy: 1.1003862311902195
Energy: 1.1006554028433753
Energy: 1.1012897447562788
Energy: 1.1009306630829132
Energy: 1.100745750534402
Energy: 1.1757887040511574
Energy: 1.100977541973106
Energy: 1.1010320116471124
Energy: 1.100924635443752
Energy: 1.1008378894628725
Energy: 1.1008411509244562
Energy: 1.3430550082687813
Energy: 1.254566393516697
Energy: 1.214778516877067
Energy: 1.1122633060714022
Energy: 1.2233111345479213
Energy: 1.2173807445676355
Energy: 1.3421164869183748
Energy: 1.22359700486659
Energy: 1.2165646067802283
Energy: 1.1035521251216804
Energy: 1.2228975025716546
Energy: 1.2149203483251625
Energy: 1.3322589630160924
Energy: 1.2162237517705463
Energy: 1.1103833238542058
Energy: 1.1019192528962916
Energy: 1.2152599399826365
Energy: 1.1044686031432132
Energy: 1.4135453685544557
Energy: 1.2244698626048713
Energy: 1.2723227064174758
Energy: 1.2983992814303258
Energy: 1.2614404806820763
Energy: 1.288869803815276
Energy: 1.2299383640137858
Energy: 1.1986999915922005
Energy: 1.1091810505798299
Energy: 1.2154558222748264
Energy: 1.216384442662571
Energy: 1.1068271658228503
Energy: 1.1442419750425956
Energy: 1.2253364981052564
Energy: 1.3210720177364672
Energy: 1.322236064918698
Energy: 1.2245600832955599
Energy: 1.3186417331408837

minimum gb energy = 1.1003359543751527 eV
minimum distance =  2.35842465240629 Angstroms
sigma value = 17


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

Energy: 1.6463593854037788
Energy: 1.3184830681310797
Energy: 1.3191358712415568
Energy: 1.0704152194496677
Energy: 1.4811418122458693
Energy: 1.072326576096329
Energy: 1.253719404275136
Energy: 1.0806052894305165
Energy: 1.0811721780093562
Energy: 1.2963831111289013
Energy: 1.2459542543127609
Energy: 1.0832591055106873
Energy: 1.3212512096331899
Energy: 1.0436768058438426
Energy: 1.0422859393963744
Energy: 1.1674012185271676
Energy: 1.0452882689267786
Energy: 1.0408450314238755
Energy: 1.3361084148506195
Energy: 1.0439729018634898
Energy: 1.0427642553339378
Energy: 1.2454519449265584
Energy: 1.0445302106372036
Energy: 1.0828083903488304
Energy: 1.326695550184094
Energy: 1.0110589553646399
Energy: 1.0110233370463477
Energy: 1.1885002639045186
Energy: 1.0114756521615118
Energy: 1.0120859915225633
Energy: 1.1589321569920865
Energy: 1.0204255709171373
Energy: 1.020958581917372
Energy: 0.9947702590989479
Energy: 1.0205446415738835
Energy: 0.9889367886110039
Energy: 1.2142512876950402
Energy: 0.9868725779823782
Energy: 0.9866899343571363
Energy: 0.9889837897554284
Energy: 1.0539204763598395
Energy: 0.9858860805158244
Energy: 1.1234479515516576
Energy: 0.9868395814387777
Energy: 0.9864197095382875
Energy: 0.9868729010156262
Energy: 0.988363660509426
Energy: 0.9878344709629086
Energy: 1.0839567752580963
Energy: 0.9855637406332884
Energy: 0.9854825932294062
Energy: 1.0850919454014578
Energy: 0.9865654437661422
Energy: 0.9851888595539198
Energy: 1.1251485226349682
Energy: 1.0218362922747573
Energy: 1.0212294991134663
Energy: 1.0125000025836204
Energy: 1.0217674201493203
Energy: 1.020943676643878
Energy: 1.2072952818490987
Energy: 1.0130751617354214
Energy: 1.0123620580500123
Energy: 1.011514582299044
Energy: 1.0121781950799602
Energy: 1.0115798324802983
Energy: 1.328049854329132
Energy: 1.0794796711703871
Energy: 1.0798180998538474
Energy: 1.0250375289113227
Energy: 1.2446498200655687
Energy: 1.0824248826863865
Energy: 1.3317674994766637
Energy: 1.1125850936927435
Energy: 1.1127917588455607
Energy: 1.0256596342965147
Energy: 1.1116568380788259
Energy: 1.1129230153504917
Energy: 1.3744968572750684
Energy: 1.1140519537142373
Energy: 1.056422935900823
Energy: 1.2887655060288468
Energy: 1.112184657171862
Energy: 1.0544947322261178
Energy: 1.3189249786330284
Energy: 1.1848066265439634
Energy: 1.1531436656539493
Energy: 1.112720554147409
Energy: 1.2256900518270928
Energy: 1.1558715736041443
Energy: 1.4247502169710664
Energy: 1.0811039409068295
Energy: 1.0819776642459404
Energy: 1.113269691427236
Energy: 1.113288860053697
Energy: 1.0802379003242402
Energy: 1.3956292741503777
Energy: 1.1120609630499567
Energy: 1.1938271024451712
Energy: 1.062037724881844
Energy: 1.1126601191287842
Energy: 1.3304424935632266

minimum gb energy = 0.9851888595539198 eV
minimum distance =  2.27185523684741 Angstroms
sigma value = 17


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

Energy: 1.1445934347701554
Energy: 1.193021713183052
Energy: 1.0619049123695037
Energy: 0.9871350404683262
Energy: 1.3279651818005953
Energy: 0.981864296772296
Energy: 1.2131715947144261
Energy: 1.0284431773797378
Energy: 0.9870936801426172
Energy: 1.027965024070722
Energy: 1.030210582957458
Energy: 0.9886515724010829
Energy: 1.552873376050351
Energy: 0.9204368719740535
Energy: 0.9704440908427439
Energy: 1.0191354407373259
Energy: 0.9207238264838826
Energy: 0.9695027576305262
Energy: 1.3224573375008954
Energy: 0.9708605278658636
Energy: 0.970242889413373
Energy: 1.0193996951971689
Energy: 0.9116687069740078
Energy: 0.9691202253940299
Energy: 1.195289006832855
Energy: 0.9368462945114476
Energy: 0.9379846594530366
Energy: 0.9567143880494426
Energy: 0.9373832385665523
Energy: 0.9382603882589756
Energy: 1.1113954020143957
Energy: 0.9366657080618682
Energy: 0.9090941105892874
Energy: 0.914705426289512
Energy: 0.9362617330075361
Energy: 0.9098093638308336
Energy: 1.1367215413157274
Energy: 0.9413760452757942
Energy: 0.9035340471821915
Energy: 0.9113129189422289
Energy: 0.9365418319220314
Energy: 0.9069975084083267
Energy: 1.119334225007744
Energy: 0.8933906782144335
Energy: 0.8996087267215886
Energy: 0.9055886974930825
Energy: 0.8950102425891382
Energy: 0.9034799879192968
Energy: 1.1436970151712045
Energy: 0.9015264419234769
Energy: 0.9010094113894993
Energy: 1.1448520128120219
Energy: 0.9111047999566773
Energy: 0.9098590687416465
Energy: 1.1316023753942883
Energy: 0.9049251957360759
Energy: 0.9068409851108964
Energy: 1.0336586034102424
Energy: 0.9052853720709841
Energy: 0.9063574549508568
Energy: 1.0178258017864292
Energy: 0.9006849879365075
Energy: 0.9036083223557065
Energy: 0.8961273457088145
Energy: 0.9237662543229503
Energy: 0.9050291682627748
Energy: 1.1390054968791545
Energy: 0.9101546950498068
Energy: 0.9002790177852515
Energy: 0.9128292308337715
Energy: 1.0309691086448547
Energy: 0.9011367027727195
Energy: 1.0752788958101844
Energy: 0.8994405797002893
Energy: 0.8988696210216939
Energy: 0.9017104939836152
Energy: 0.9085144441781321
Energy: 0.8989934222344593
Energy: 1.1778713935656737
Energy: 0.9067737298332685
Energy: 0.9063880637170961
Energy: 1.0606559034699945
Energy: 0.9013948185603086
Energy: 0.9063930646754531
Energy: 1.1768901869505877
Energy: 0.9212763493195439
Energy: 0.9213172100728225
Energy: 0.9370047840269757
Energy: 0.9206701813575047
Energy: 0.9383627674551418
Energy: 1.1760430882269655
Energy: 0.9368861009707399
Energy: 0.9379501294441229
Energy: 0.9424624538463764
Energy: 1.0300244032160042
Energy: 0.937423026535485
Energy: 1.1433370587807152
Energy: 1.0199508526120318
Energy: 1.0303692757741418
Energy: 0.9393122418522308
Energy: 1.0194435014978451
Energy: 0.945789957487131
Energy: 1.1960977596074804
Energy: 1.0201988264979214
Energy: 1.0209661779274948
Energy: 0.9414367129458749
Energy: 1.0197493471358965
Energy: 0.9448487735351249
Energy: 1.3437100807683164
Energy: 1.0271245931620596
Energy: 0.9887836726082504
Energy: 1.0309554705504405
Energy: 0.9450262647133147
Energy: 0.9393186908017431
Energy: 1.4381678321863347
Energy: 0.9810174493050732
Energy: 0.980299801986545
Energy: 1.0344587504510068
Energy: 0.982667547600946
Energy: 1.0739265429975222
Energy: 1.3624940269774515
Energy: 1.029108199388139
Energy: 0.988680016085854
Energy: 1.031645903285222
Energy: 1.0293459821116617
Energy: 0.9868401521761604
Energy: 1.14506281662333
Energy: 1.0730360733171742
Energy: 1.0867435531905385
Energy: 0.9820876751144347
Energy: 1.073035043339289
Energy: 0.98000306092169
Energy: 1.313944070399827
Energy: 1.0303960168882582
Energy: 0.983537750508378
Energy: 0.97826151544474
Energy: 1.0298569340202353
Energy: 0.998988591331561
Energy: 1.359569020166979
Energy: 0.9510772528052658
Energy: 0.982706095763873
Energy: 1.0198248921271849
Energy: 0.9278115348976929
Energy: 1.020625013521665
Energy: 1.3199814481651562
Energy: 0.9209577218659554
Energy: 0.9708024948444935
Energy: 1.0204267648303031
Energy: 0.9220493332123639
Energy: 0.9695208473866099
Energy: 1.323267551645982
Energy: 0.9447090736452673
Energy: 0.9449446703221616
Energy: 1.032436428957504
Energy: 0.9448027973610272
Energy: 0.9374329710830206
Energy: 1.1130046644217237
Energy: 0.9377382658064775
Energy: 0.9380135175730774
Energy: 0.9140776739196768
Energy: 0.9382025637685556
Energy: 0.9413448481954165
Energy: 1.1302061732004196
Energy: 0.9372949886549166
Energy: 0.9386204939833092
Energy: 1.080244152487961
Energy: 0.941121168701394
Energy: 0.9415345354198638
Energy: 1.1147673186147709
Energy: 0.9013062919017361
Energy: 0.9014668083776163
Energy: 0.901328761245804
Energy: 0.9013579188046623
Energy: 0.9009773912343911
Energy: 1.1378633974443302
Energy: 0.894444669968637
Energy: 0.8999925832658638
Energy: 1.030107885342015
Energy: 0.8953779706925687
Energy: 0.8989706837643766
Energy: 1.1399640973199512
Energy: 0.8972682373197641
Energy: 0.8978232578482517
Energy: 1.1386037627290888
Energy: 0.8969533986861008
Energy: 0.8982202298372366
Energy: 1.0183861836111958
Energy: 0.898452729981893
Energy: 0.8988909185143764
Energy: 0.9037372175035281
Energy: 0.8973391846810079
Energy: 0.8989588370885907
Energy: 1.1349657142612832
Energy: 1.0309275686016042
Energy: 1.0340315099864061
Energy: 1.0311476347886033
Energy: 1.1405763329777876
Energy: 0.8967766633884627
Energy: 1.072628585988124
Energy: 0.9062516646098716
Energy: 0.9069588632797488
Energy: 0.9036936692424093
Energy: 0.9119812325060731
Energy: 0.906111657192729
Energy: 1.1784914810593914
Energy: 0.9045580784213413
Energy: 0.9050555611457506
Energy: 1.178296115130775
Energy: 0.9038380116215916
Energy: 0.904410921912019
Energy: 1.1770597896224537
Energy: 0.9074193546230287
Energy: 0.9380150398217624
Energy: 0.9383197624341824
Energy: 0.9080375433962965
Energy: 0.9370485074823135
Energy: 1.0647595085212014
Energy: 0.939044365829397
Energy: 0.9382494208204861
Energy: 0.9360615881537045
Energy: 0.93955318487619
Energy: 0.9370995907813282
Energy: 1.1392531005705542
Energy: 1.0303387166951155
Energy: 0.9852160475502505
Energy: 0.9382784177553738
Energy: 1.0307963771240394
Energy: 0.9495870930266262
Energy: 1.1276177595395211
Energy: 1.0191328916492408
Energy: 0.9823850918419318
Energy: 0.9489183222909192
Energy: 1.0330529654109866
Energy: 0.977047111188852
Energy: 1.336187557991485
Energy: 1.0315414414108632
Energy: 1.0299821646881941
Energy: 0.9451387903606318
Energy: 1.030811930938465
Energy: 0.9878228642979332
Energy: 1.4671787409865333
Energy: 0.9578825836566437
Energy: 1.0976051254314263
Energy: 1.0722747896277074
Energy: 0.9583282086659813
Energy: 1.0973025940059369
Energy: 1.4462960599388972
Energy: 1.0175843656285763
Energy: 0.9928032919780736
Energy: 1.0194184337359944
Energy: 0.9644945594277832
Energy: 1.0207404509568685
Energy: 1.3133979786102892
Energy: 1.0190854627760888
Energy: 1.0208240033697509
Energy: 1.0360179747237486
Energy: 1.0190291799710627
Energy: 1.0518053228795723

minimum gb energy = 0.8933906782144335 eV
minimum distance =  2.35214631326876 Angstroms
sigma value = 57


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

Energy: 1.046215819346921
Energy: 1.084424870366378
Energy: 0.9820789677942566
Energy: 0.8580426907260346
Energy: 1.2244474895696515
Energy: 0.9827079587876361
Energy: 1.177887678259534
Energy: 0.8832333163321706
Energy: 0.883275292495244
Energy: 0.9480503886930995
Energy: 0.963829419143938
Energy: 0.9194920527561108
Energy: 1.4757493303797062
Energy: 0.8531464616368435
Energy: 0.8528113695782346
Energy: 0.9430768246487615
Energy: 0.8527892904575726
Energy: 0.9012860789318492
Energy: 1.2489974667622696
Energy: 0.8524532654586173
Energy: 0.9013372930605315
Energy: 0.9428840212112339
Energy: 0.849165978539455
Energy: 0.9005867022949329
Energy: 1.1134526306051111
Energy: 0.8859621007203388
Energy: 0.885133973941382
Energy: 0.8852575098327156
Energy: 0.8869432524160813
Energy: 0.8732529322240571
Energy: 1.0289275165337952
Energy: 0.8717698679560061
Energy: 0.8477680318780363
Energy: 0.8312496137734043
Energy: 0.87130603859035
Energy: 0.8489992075889624
Energy: 1.061379807001149
Energy: 0.8818624963117474
Energy: 0.8582072052984564
Energy: 0.8400902550174612
Energy: 0.8825466474025574
Energy: 0.8383964482086558
Energy: 1.0621772646899408
Energy: 0.8243568300195846
Energy: 0.8247667330619693
Energy: 0.8444017415055327
Energy: 0.8231958503831044
Energy: 0.8338832745038804
Energy: 1.0646271529849316
Energy: 0.8374539773335957
Energy: 0.8352955528190815
Energy: 1.0658707744909761
Energy: 0.8303689157495139
Energy: 0.8469920472919281
Energy: 1.0684187418414821
Energy: 0.8211292006521148
Energy: 0.8214880846065845
Energy: 0.9456359255559602
Energy: 0.8212646636557374
Energy: 0.8221114442977521
Energy: 1.0419265302806346
Energy: 0.816222964322854
Energy: 0.8152023270430496
Energy: 0.8161917676317263
Energy: 0.937070282576195
Energy: 0.8158649594051408
Energy: 1.0651626683882753
Energy: 0.9234293185844713
Energy: 0.8264798327812749
Energy: 0.8235653705699613
Energy: 1.0426278833395268
Energy: 0.8264564320911206
Energy: 1.0722786908800461
Energy: 0.9566939258424009
Energy: 0.8300145204936711
Energy: 0.8185516193619699
Energy: 0.9549205651583471
Energy: 0.8324131905180753
Energy: 1.0366504306273328
Energy: 0.8215832284756533
Energy: 0.8218313159999712
Energy: 1.0383466405703883
Energy: 0.8179994925570881
Energy: 1.025557118896937
Energy: 1.0354099230300182
Energy: 0.8182710578775683
Energy: 0.8166158834746239
Energy: 0.8175336034431907
Energy: 0.8180152149595747
Energy: 0.815680045623387
Energy: 1.083332338837912
Energy: 0.8506678428887784
Energy: 0.8281678870165735
Energy: 0.8277253120270699
Energy: 0.9474131064354537
Energy: 0.8275815900420455
Energy: 1.0377660448100738
Energy: 0.8318836553107948
Energy: 0.8333760514646148
Energy: 0.8204066242294894
Energy: 0.9555314074609365
Energy: 0.8339418108871783
Energy: 1.0777301380322677
Energy: 0.833279739496425
Energy: 0.8336012160395913
Energy: 0.8739028010178479
Energy: 0.833655006363076
Energy: 0.8343143322467055
Energy: 1.1180829682325655
Energy: 0.8405896569296154
Energy: 0.8406898985670822
Energy: 0.8830294249529006
Energy: 0.8480714534453444
Energy: 0.8856706387640019
Energy: 1.119758767337336
Energy: 0.8408706812421031
Energy: 0.8448728237764155
Energy: 0.8816374022113846
Energy: 0.8453029516280242
Energy: 0.8823348022313151
Energy: 1.264255333461212
Energy: 0.8825821706721395
Energy: 0.880385337058771
Energy: 0.8818214130172727
Energy: 0.8809550472606196
Energy: 0.8812730049575827
Energy: 1.0366529494556151
Energy: 0.9442559342573583
Energy: 0.8773687421765313
Energy: 0.8428413769582679
Energy: 0.9435715841568405
Energy: 0.8783071661025017
Energy: 1.1366212516006187
Energy: 0.9441091189214038
Energy: 0.9445525435660462
Energy: 0.8973864018050284
Energy: 0.943669018406884
Energy: 0.9449768796746236
Energy: 1.3661235397003668
Energy: 0.8828509759350462
Energy: 0.8714359410270892
Energy: 0.8878689336821233
Energy: 0.8863801401856649
Energy: 0.8728217192806653
Energy: 1.4516762585908705
Energy: 0.8883105565067201
Energy: 0.9113790968670777
Energy: 0.972505546539693
Energy: 0.885972739645153
Energy: 0.9815105134711329
Energy: 1.4812564746085768
Energy: 0.9509252834514903
Energy: 0.9490282472274796
Energy: 0.9503138565481537
Energy: 0.9503419209539661
Energy: 0.9194345298175071
Energy: 1.0430223109752292
Energy: 0.9710609062468092
Energy: 0.9392243742997388
Energy: 0.8600610581523044
Energy: 0.9693828700503936
Energy: 0.9133023031095041

minimum gb energy = 0.8152023270430496 eV
minimum distance =  2.36202573174353 Angstroms
sigma value = 43


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

Energy: 0.878173966188784
Energy: 0.9174457417965255
Energy: 0.8654454947118781
Energy: 0.7427421712445545
Energy: 0.911403279947997
Energy: 0.827495679424832
Energy: 1.1773845583907807
Energy: 0.7241567567066544
Energy: 0.7251509946173692
Energy: 0.778891076093945
Energy: 0.7233796859410464
Energy: 0.7253492622269021
Energy: 1.2406522969178897
Energy: 0.7155641451016348
Energy: 0.729895758441413
Energy: 0.7708548764058335
Energy: 0.7147977018096517
Energy: 0.7293663912621816
Energy: 1.0870311980754515
Energy: 0.7294497462883399
Energy: 0.7293690075347622
Energy: 0.7242988037548662
Energy: 0.7921593980712979
Energy: 0.7524491499889135
Energy: 0.9753655858490783
Energy: 0.7242919643043562
Energy: 0.7248852286839554
Energy: 0.7293596915272695
Energy: 0.7250817194727
Energy: 0.7254760872567239
Energy: 0.8548519064635303
Energy: 0.7249367656760155
Energy: 0.7142501092997048
Energy: 0.7867548353249526
Energy: 0.7242911288011235
Energy: 0.703760029795846
Energy: 1.0838665631418662
Energy: 0.7261877893345545
Energy: 0.7471011816912589
Energy: 0.702501477214394
Energy: 0.7268102361895403
Energy: 0.6980928185164322
Energy: 1.0829378108410712
Energy: 0.6886153037478823
Energy: 0.6921498995121969
Energy: 0.7554524228212042
Energy: 0.6875270441106905
Energy: 0.7502173124393987
Energy: 0.9188116264927499
Energy: 0.6935028511125758
Energy: 0.6978510170636391
Energy: 0.6976293939822829
Energy: 0.7025027208967463
Energy: 0.7813848284984503
Energy: 0.9166572049299011
Energy: 0.6871387667074276
Energy: 0.6866940554189216
Energy: 0.6985543849217534
Energy: 0.6872494947705486
Energy: 0.6858226704013811
Energy: 0.8481146885993165
Energy: 0.6812046946648826
Energy: 0.6799362235449425
Energy: 0.6803112650330625
Energy: 0.6813361408248255
Energy: 0.6781748282073959
Energy: 0.9199785734116696
Energy: 0.8415064986501908
Energy: 0.6819059043576917
Energy: 0.681819241554989
Energy: 0.7576548830173037
Energy: 0.6809384523356813
Energy: 0.9201771183453509
Energy: 0.7648729608274435
Energy: 0.7658451049313258
Energy: 0.6847924197651557
Energy: 0.7593889459642146
Energy: 0.7681533786028658
Energy: 0.8607849181230971
Energy: 0.7488319305093049
Energy: 0.8154192903052515
Energy: 0.862366092495956
Energy: 0.7547163751786279
Energy: 0.8206116205658085
Energy: 0.8603695709329366
Energy: 0.6769566323731041
Energy: 0.6765329513065507
Energy: 0.8161233938984072
Energy: 0.6772482160114794
Energy: 0.6732444790886841
Energy: 0.854291947265082
Energy: 0.7981707455337533
Energy: 0.6705499580821294
Energy: 0.6717816849266453
Energy: 0.8065603143160899
Energy: 0.6699878605075582
Energy: 0.8654622244902271
Energy: 0.8178518373912169
Energy: 0.7216748936493128
Energy: 0.6742983528760561
Energy: 0.8095241179078464
Energy: 0.6743571089486007
Energy: 0.8518658685107291
Energy: 0.7548812164744716
Energy: 0.6805758791417049
Energy: 0.7627762193842631
Energy: 0.7512577589211602
Energy: 0.6756110689618908
Energy: 0.8499256884893315
Energy: 0.7459657790041423
Energy: 0.8051957422062999
Energy: 0.8508928864000906
Energy: 0.7460379836671864
Energy: 0.8102383363967569
Energy: 0.8515891910835366
Energy: 0.7545184150908292
Energy: 0.6861863950149899
Energy: 0.6709751726788014
Energy: 0.7545655226506881
Energy: 0.6857230810205215
Energy: 0.8861744619998039
Energy: 0.7225442115625675
Energy: 0.6843534404646325
Energy: 0.6810804199580642
Energy: 0.8157492387659288
Energy: 0.6816362983341496
Energy: 0.9107013085807389
Energy: 0.7219894700552228
Energy: 0.6721256378603967
Energy: 0.6734402463298105
Energy: 0.8190873411098777
Energy: 0.6719971502291529
Energy: 0.8814989214646257
Energy: 0.6794585619232439
Energy: 0.6795994984802
Energy: 0.8366692207015709
Energy: 0.6738896061142916
Energy: 0.6790329608815635
Energy: 0.8825696746607725
Energy: 0.6808203341614772
Energy: 0.8366894658903017
Energy: 0.8833414028763539
Energy: 0.6886137804302981
Energy: 0.8385223236639266
Energy: 0.9707509831470005
Energy: 0.7703212789302468
Energy: 0.78544065681204
Energy: 0.6844965942346248
Energy: 0.7287170895197904
Energy: 0.7856989601426496
Energy: 0.9722651963912191
Energy: 0.7811770112660816
Energy: 0.6974332464443881
Energy: 0.6812910211527834
Energy: 0.6977166810793752
Energy: 0.6801363978324351
Energy: 0.8518889440359875
Energy: 0.6964545427164041
Energy: 0.6961812888394855
Energy: 0.6898308989405401
Energy: 0.6989462652485302
Energy: 0.6900901767918726
Energy: 0.9485996841215779
Energy: 0.6966292038633667
Energy: 0.6971845289609298
Energy: 0.726294419166429
Energy: 0.6964593124436865
Energy: 0.6971915096735958
Energy: 0.9707769172566154
Energy: 0.7118491536204767
Energy: 0.7241980641157817
Energy: 0.7236035025696196
Energy: 0.7127489175277135
Energy: 0.7243310887939115
Energy: 1.1765049431569266
Energy: 0.7027822069035246
Energy: 0.7113511778828632
Energy: 0.7260735060100678
Energy: 0.701558851196095
Energy: 0.7651111733452299
Energy: 1.1731815319863277
Energy: 0.7277159731999793
Energy: 0.7261593451372584
Energy: 0.7264036727635413
Energy: 0.7268057092413942
Energy: 0.7238511979067095
Energy: 0.8652367807520125
Energy: 0.7711154571768916
Energy: 0.7430208530455034
Energy: 0.7658800426981501
Energy: 0.7715173271377525
Energy: 0.7254969361880769
Energy: 0.9969401654132407
Energy: 0.7707682533879678
Energy: 0.7705492390512055
Energy: 0.7466010268572879
Energy: 0.7703966753528593
Energy: 0.7706691102305778
Energy: 1.1777931001076896
Energy: 0.7604836157892818
Energy: 0.7606804272073758
Energy: 0.7518799680934407
Energy: 0.897770085839714
Energy: 0.7953825840099666
Energy: 1.239863979915391
Energy: 0.7382447526378879
Energy: 0.7613038394579598
Energy: 0.8084724489878491
Energy: 0.8158818959421286
Energy: 0.7613428930750413
Energy: 1.23502847706652
Energy: 0.770522780054291
Energy: 0.7706871205205279
Energy: 0.7790009187260835
Energy: 0.7702568305888154
Energy: 0.7252597494993672

minimum gb energy = 0.6699878605075582 eV
minimum distance =  2.37489384856263 Angstroms
sigma value = 81


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

Energy: 0.024647530501662743
Energy: 0.07922563808328302
Energy: 0.02541756427497424
Energy: 0.02813792019544182
Energy: 0.07932073294105044
Energy: 0.025424209537440883
Energy: 0.08020716952960513
Energy: 0.029529483649176288
Energy: 0.031832856644570647
Energy: 0.08175552014769763
Energy: 0.03258782555143619
Energy: 0.03222600972480088
Energy: 0.07923580958272369
Energy: 0.025492212973404496
Energy: 0.025298012684111637
Energy: 0.07957575878989052
Energy: 0.025423498737720252
Energy: 0.07897404318922994
Energy: 0.034483925077529475
Energy: 0.025676422424308877
Energy: 0.025643349915792583
Energy: 0.032750768601432285
Energy: 0.0253373073522102
Energy: 0.07961500435861697
Energy: 0.07885100643673094
Energy: 0.0793529227984379
Energy: 0.07997211175930649
Energy: 0.08027090795230586
Energy: 0.07953893124270547
Energy: 0.08278760199967526
Energy: 0.026099999286824764
Energy: 0.031156515447870455
Energy: 0.025569473876154488
Energy: 0.02937029376942042
Energy: 0.03149855451871787
Energy: 0.025438400123156974
Energy: 0.0815491982997917
Energy: 0.033005658502856194
Energy: 0.03176187901863195
Energy: 0.07973379220245443
Energy: 0.03249429621528136
Energy: 0.03181793072043107
Energy: 0.07908009718332841
Energy: 0.025166343805483642
Energy: 0.02561748924278823
Energy: 0.07958157132997698
Energy: 0.025329245614316546
Energy: 0.08151714780576083
Energy: 0.03321802113107394
Energy: 0.025943954498799285
Energy: 0.0822214476452436
Energy: 0.034796076687678555
Energy: 0.025455563280173413
Energy: 0.08166903914051477
Energy: 0.02621845077191671
Energy: 0.07963336840488856
Energy: 0.07953430488354817
Energy: 0.025389709968347066
Energy: 0.07984159379555292
Energy: 0.07951212485279957

minimum gb energy = 0.024647530501662743 eV
minimum distance =  2.49509663058656 Angstroms
sigma value = 3


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

Energy: 0.861418677706944
Energy: 0.9016252839043561
Energy: 0.851040831818308
Energy: 0.7960701169882446
Energy: 0.8553822230872719
Energy: 0.80672241712252
Energy: 0.9093796481566633
Energy: 0.8704155848163961
Energy: 0.868382834407067
Energy: 0.8747604902763183
Energy: 0.8812431054104726
Energy: 0.8665123848325897
Energy: 0.918720825465404
Energy: 0.8179584403358735
Energy: 0.8187252502842779
Energy: 0.8788897153691365
Energy: 0.8192020914956949
Energy: 0.8505081491175289
Energy: 0.8906116958475933
Energy: 0.818859226357291
Energy: 0.8192123456149564
Energy: 0.8729548474094772
Energy: 0.8246506142381703
Energy: 0.8507220806610051
Energy: 0.8419834301710637
Energy: 0.8723363722181905
Energy: 0.8690437628314969
Energy: 0.8418100250783146
Energy: 0.8796005083840913
Energy: 0.8670875536115663
Energy: 0.8243858134542166
Energy: 0.8712579062983828
Energy: 0.8431890851556875
Energy: 0.7687528073463508
Energy: 0.8710292640299072
Energy: 0.8040610766298892
Energy: 0.8931769648579466
Energy: 0.8810948522848348
Energy: 0.8769414681583404
Energy: 0.8748744256364395
Energy: 0.8781080543719759
Energy: 0.868497974805028
Energy: 0.8907965336884717
Energy: 0.8247612671656761
Energy: 0.8250154234496134
Energy: 0.8750056532616026
Energy: 0.788627546163412
Energy: 0.8261287255900068
Energy: 0.8794884837914908
Energy: 0.8269022504060303
Energy: 0.85663621911938
Energy: 0.8769708101543517
Energy: 0.8496267286830346
Energy: 0.8702658449656498
Energy: 0.8680477639389174
Energy: 0.8432761987947177
Energy: 0.8378154609990446
Energy: 0.8675468045139053
Energy: 0.8523029956184632
Energy: 0.846100516925976
Energy: 0.835262495572424
Energy: 0.8407199866885555
Energy: 0.8415694082847355
Energy: 0.7605066346037732
Energy: 0.8513792673737876
Energy: 0.8061720511729675
Energy: 0.8012584089800557
Energy: 0.8540185722009299
Energy: 0.8440031256777577
Energy: 0.8011417110706994
Energy: 0.851848843321728
Energy: 0.7993887777207572
Energy: 0.7994969895168124
Energy: 0.792486762650977
Energy: 0.8196489841348393
Energy: 0.7994068598496051
Energy: 0.7457844018503371
Energy: 0.8206238091598318
Energy: 0.8358312307109541
Energy: 0.820977221921498
Energy: 0.8206021073326304
Energy: 0.8081493245057128
Energy: 0.8565220779077217
Energy: 0.8270275973404981
Energy: 0.8351249010177265
Energy: 0.767055645292389
Energy: 0.766474281034251
Energy: 0.8349119815317252
Energy: 0.7774709413620842
Energy: 0.7670645941347954
Energy: 0.8332039083584416
Energy: 0.8030353571331712
Energy: 0.8112747984039504
Energy: 0.8049086808375031
Energy: 0.8309300145942652
Energy: 0.803847821060488
Energy: 0.7517825033287984
Energy: 0.8122248722862746
Energy: 0.8097012780261545
Energy: 0.7514345512406828
Energy: 0.8037076101665019
Energy: 0.7517683578821226
Energy: 0.7516552978427699
Energy: 0.7990657761175385
Energy: 0.7993607551486288
Energy: 0.7516255948675828
Energy: 0.7539080877712062
Energy: 0.7998788929440402
Energy: 0.8236933198698998
Energy: 0.8255203373103231
Energy: 0.7983394031563842
Energy: 0.7578376657632816
Energy: 0.8308337462511709
Energy: 0.7991964549821838
Energy: 0.8334682302936155
Energy: 0.751056705921721
Energy: 0.7506742758423866
Energy: 0.8319453449014609
Energy: 0.7617010405149298
Energy: 0.7513114788940549
Energy: 0.8325920090479443
Energy: 0.8024085780777126
Energy: 0.8117078482896847
Energy: 0.828495992363675
Energy: 0.8350312783241653
Energy: 0.8087839268627384
Energy: 0.769200559048223
Energy: 0.8023475474184928
Energy: 0.8105608064045289
Energy: 0.7684468812032915
Energy: 0.8044157014743079
Energy: 0.7679201098736189
Energy: 0.7685681332746666
Energy: 0.8231674119499027
Energy: 0.8229341916375894
Energy: 0.7685715976369638
Energy: 0.8226100332090028
Energy: 0.8224639555098971
Energy: 0.8349143626397264
Energy: 0.7997619908817905
Energy: 0.8217744796297284
Energy: 0.7560799964660574
Energy: 0.7986296492255067
Energy: 0.8048905759768774
Energy: 0.8613380157385682
Energy: 0.7988279500846963
Energy: 0.7980153702483173
Energy: 0.8622234592023741
Energy: 0.8007874980515474
Energy: 0.8091930204789192
Energy: 0.8586120461748635
Energy: 0.8219105753816295
Energy: 0.8223627912704017
Energy: 0.8598082809752942
Energy: 0.7893616087265356
Energy: 0.8425694297211296
Energy: 0.8498424266732357
Energy: 0.8220634883500233
Energy: 0.8233280470422011
Energy: 0.844083261585196
Energy: 0.8558181278578193
Energy: 0.8471195961143556
Energy: 0.8118387159651079
Energy: 0.8696362013350388
Energy: 0.8698769041296681
Energy: 0.81221131651689
Energy: 0.8693175080153579
Energy: 0.8694639402329499
Energy: 0.8328774457399066
Energy: 0.8691145837123271
Energy: 0.8483349832203249
Energy: 0.76183667366612
Energy: 0.8741459427187359
Energy: 0.806891336682336
Energy: 0.865031705017274
Energy: 0.8707934804616209
Energy: 0.8673916503403644
Energy: 0.8644772436194132
Energy: 0.8736891931939024
Energy: 0.869236461012695
Energy: 0.8727214860724481
Energy: 0.8254567734707292
Energy: 0.824733950627743
Energy: 0.8731590902325711
Energy: 0.7821575094029897
Energy: 0.8248541425354887
Energy: 0.9191266756833387
Energy: 0.8275937324871306
Energy: 0.8655590820407704
Energy: 0.8716958853704374
Energy: 0.8429500137510167
Energy: 0.868233956233518
Energy: 0.8291439148470237
Energy: 0.8736607637364594
Energy: 0.8722610394147539
Energy: 0.8288802654391257
Energy: 0.8732101922435129
Energy: 0.8608583170346658

minimum gb energy = 0.7457844018503371 eV
minimum distance =  2.29999859403692 Angstroms
sigma value = 67


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

Energy: 1.092316367359051
Energy: 1.0898958210131335
Energy: 1.0796126960641028
Energy: 1.013336453818845
Energy: 1.077210614474188
Energy: 1.0615942245639027
Energy: 1.1151903964708263
Energy: 1.0785418480842117
Energy: 1.05806413875336
Energy: 1.074003564056183
Energy: 1.072626192559531
Energy: 1.056489382262562
Energy: 1.1630856308430175
Energy: 1.0337469671207016
Energy: 1.0451838799918545
Energy: 1.0654394171645833
Energy: 1.0341943235824782
Energy: 1.0456540011318245
Energy: 1.0925565350714683
Energy: 1.0456970686063465
Energy: 1.0453351069662684
Energy: 1.071465913061556
Energy: 1.0478717236117605
Energy: 1.0468481938398795
Energy: 1.0944504384596105
Energy: 1.0753128721115883
Energy: 1.0785275275372734
Energy: 1.0685982388885715
Energy: 1.0715987292541398
Energy: 1.058802908991772
Energy: 1.0310391661184735
Energy: 1.0554678349745694
Energy: 1.0442489089753766
Energy: 1.029316888620126
Energy: 1.053622360996189
Energy: 1.0436279340978238
Energy: 1.0940336764142469
Energy: 1.076837553112873
Energy: 1.0801504933622685
Energy: 1.0706136340875052
Energy: 1.0752354047690869
Energy: 1.0580361563044736
Energy: 1.09079955601079
Energy: 1.0316370940585857
Energy: 1.0301426258605428
Energy: 1.0687674346476732
Energy: 1.0090296448245077
Energy: 1.0556040578701507
Energy: 1.0639809362069403
Energy: 1.0556409986501647
Energy: 1.0563387981868808
Energy: 1.061196657945041
Energy: 1.0719624159504837
Energy: 1.067381143282996
Energy: 1.061790154983836
Energy: 1.0361828855240347
Energy: 1.0451906099604047
Energy: 1.0619252578650944
Energy: 1.0480686899068266
Energy: 1.0507492294702336
Energy: 1.050905140573294
Energy: 1.0458032458509634
Energy: 1.0453076811711233
Energy: 1.01346366096911
Energy: 1.0461715624767027
Energy: 1.0395627474225637
Energy: 1.0097300141678944
Energy: 1.0437463015533697
Energy: 1.0436995612838245
Energy: 1.0093618761941658
Energy: 1.0360971133911818
Energy: 1.0117032545197424
Energy: 1.0086238326926045
Energy: 1.0217061385313355
Energy: 1.0355399941289483
Energy: 1.0090684334847653
Energy: 1.0148253483629135
Energy: 1.0213006227369217
Energy: 1.0418055773918977
Energy: 1.032099922074215
Energy: 1.0349050103821578
Energy: 1.0132242334639885
Energy: 1.0468829441172156
Energy: 1.0342776951989048
Energy: 1.0452737436478645
Energy: 1.0190236607909215
Energy: 1.0148402264827123
Energy: 1.0463035211318032
Energy: 1.0168528784682065
Energy: 1.0082993703225405
Energy: 1.0468200129925564
Energy: 1.0481301126581306
Energy: 1.0447060221175954
Energy: 1.0451932363949017
Energy: 1.0619538809982598
Energy: 1.0425515051775962
Energy: 1.0418304835215597
Energy: 1.0270529399534538
Energy: 1.0320315564471052
Energy: 1.0426893118756524
Energy: 1.0035613634438647
Energy: 1.0432697957631398
Energy: 1.0411393837692906
Energy: 1.0677661893818764
Energy: 1.0694695981779845
Energy: 1.0418043159504504
Energy: 1.0668029428647923
Energy: 1.05636687112488
Energy: 1.0301557564811568
Energy: 1.0571515082659637
Energy: 1.0420023199685724
Energy: 1.0191755502570958
Energy: 1.0543418957254755
Energy: 1.042056281534742
Energy: 1.0682002431693585
Energy: 1.0623919812816098
Energy: 1.0694489385075752
Energy: 1.0687805703886188
Energy: 1.0735152380313946
Energy: 1.0716724405090898
Energy: 1.0667458147087194
Energy: 1.0585762736919804
Energy: 1.0570653035711828
Energy: 1.0668374197568125
Energy: 1.034673432042443
Energy: 1.0742489921858644
Energy: 1.1637395575213354
Energy: 1.0322003132921642
Energy: 1.0569908598276423
Energy: 1.064030290518498
Energy: 1.0317943334088098
Energy: 1.0571237353858993
Energy: 1.1149241433526664
Energy: 1.0800463267768288
Energy: 1.0827021809646966
Energy: 1.0639118256856073
Energy: 1.0732274355963338
Energy: 1.0669652939956342

minimum gb energy = 1.0035613634438647 eV
minimum distance =  2.31030304439553 Angstroms
sigma value = 33


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

Energy: 1.2912681253298208
Energy: 1.2783574276386758
Energy: 1.2648192891669015
Energy: 1.2007437494405038
Energy: 1.2780671800785344
Energy: 1.220351057757019
Energy: 1.3113757057079054
Energy: 1.23162396867635
Energy: 1.2272754963979267
Energy: 1.2355422262923363
Energy: 1.2473288543373644
Energy: 1.23726167781813
Energy: 1.3652862655306353
Energy: 1.2116149255056456
Energy: 1.218422571307169
Energy: 1.2378885066963186
Energy: 1.2119771428577553
Energy: 1.216601078454587
Energy: 1.2858534822508227
Energy: 1.2204761151755064
Energy: 1.2179015023492437
Energy: 1.2396161302735742
Energy: 1.2162136362419738
Energy: 1.2122032477569316
Energy: 1.2331377077229249
Energy: 1.2499064872862613
Energy: 1.2265079682571152
Energy: 1.2316823100169092
Energy: 1.2442389074864861
Energy: 1.2266681154341703
Energy: 1.2086508001797736
Energy: 1.2330906652876015
Energy: 1.237061089709383
Energy: 1.1998443773749388
Energy: 1.2310514363196225
Energy: 1.2119117707266716
Energy: 1.2842008674168666
Energy: 1.2311386680220096
Energy: 1.2332348513375837
Energy: 1.2354764858794132
Energy: 1.23351144661272
Energy: 1.2261560652198298
Energy: 1.281063994360327
Energy: 1.2140125894468758
Energy: 1.2132959870848892
Energy: 1.2366824378148147
Energy: 1.2176350724093705
Energy: 1.2268691305029058
Energy: 1.2215195278016695
Energy: 1.2267047162618512
Energy: 1.2284030965073223
Energy: 1.2261483053687372
Energy: 1.2359177956594778
Energy: 1.2305292224149693
Energy: 1.2236715686273827
Energy: 1.2159071076974053
Energy: 1.215579560089969
Energy: 1.2238210400348049
Energy: 1.2271915785596474
Energy: 1.218970463522782
Energy: 1.219997861115654
Energy: 1.2146298214348057
Energy: 1.214408490380811
Energy: 1.2179029146842018
Energy: 1.2248100364987278
Energy: 1.2134940551562796
Energy: 1.2254481424089896
Energy: 1.217008936733527
Energy: 1.2151637925567709
Energy: 1.225882528902794
Energy: 1.2027524168403816
Energy: 1.2136631016077175
Energy: 1.2234864436436494
Energy: 1.227706332739005
Energy: 1.227817780419261
Energy: 1.2243241092064099
Energy: 1.2262901748100783
Energy: 1.2160822232378967
Energy: 1.2130973926038127
Energy: 1.226575444583299
Energy: 1.227384109183438
Energy: 1.2066145210924326
Energy: 1.2223886962602224
Energy: 1.2033799593942944
Energy: 1.2271471757775703
Energy: 1.229435465514944
Energy: 1.2306652233766269
Energy: 1.2281958839051461
Energy: 1.2413610593815811
Energy: 1.2309424767595911
Energy: 1.2511746437360787
Energy: 1.2172078746430772
Energy: 1.2149592505484337
Energy: 1.2474205951430808
Energy: 1.2242662514546268
Energy: 1.2483881656601126
Energy: 1.3647878962767839
Energy: 1.2045864485034228
Energy: 1.2073372761031058
Energy: 1.2346513105293464
Energy: 1.2122209261761094
Energy: 1.226251359886395
Energy: 1.3755329787832207
Energy: 1.259313601457291
Energy: 1.2488909026733581
Energy: 1.2329276914545897
Energy: 1.2533169789656096
Energy: 1.2675186954301427
Energy: 1.1913813471658512
Energy: 1.2329023249888407
Energy: 1.2216164896565078
Energy: 1.1908984411815033
Energy: 1.2356815052958434
Energy: 1.2101459129872147
Energy: 1.312989603248928
Energy: 1.2483679083234933
Energy: 1.2265359003443292
Energy: 1.2100438435231693
Energy: 1.245709268718355
Energy: 1.2270119286374672
Energy: 1.3672795298051332
Energy: 1.2250136941986254
Energy: 1.2177644484527848
Energy: 1.2386965960550065
Energy: 1.217112267030766
Energy: 1.2163316753592903
Energy: 1.278773041018214
Energy: 1.2124678670503908
Energy: 1.2186188275068526
Energy: 1.2381414602153573
Energy: 1.2121309745585034
Energy: 1.2169911052774587
Energy: 1.2960744634883898
Energy: 1.2312361035296413
Energy: 1.2263919301159545
Energy: 1.2452238140530514
Energy: 1.2452919860371001
Energy: 1.2266359430918232
Energy: 1.2033546823136005
Energy: 1.232548018481677
Energy: 1.2345317372076428
Energy: 1.199604646488483
Energy: 1.2324228230181693
Energy: 1.2086245229470458
Energy: 1.2845073502017592
Energy: 1.2311031146402223
Energy: 1.2295825925591728
Energy: 1.2356237066036135
Energy: 1.232972870027083
Energy: 1.2479710556308874
Energy: 1.2804897237605195
Energy: 1.213957129072318
Energy: 1.2261941559128138
Energy: 1.2385784083707452
Energy: 1.2166185219783836
Energy: 1.2286007686093192
Energy: 1.2203071095820783
Energy: 1.2225972346464005
Energy: 1.227543159015574
Energy: 1.2227122355492748
Energy: 1.223678981584175
Energy: 1.2295197129391529
Energy: 1.2234620807230676
Energy: 1.2163608600676372
Energy: 1.2167100666261987
Energy: 1.2236802804239697
Energy: 1.2284564765761627
Energy: 1.2164800795984103
Energy: 1.2187171267299894
Energy: 1.2313394800589503
Energy: 1.2141463448123209
Energy: 1.2151031830589627
Energy: 1.2260003905428296
Energy: 1.2132595988753307
Energy: 1.225513943580813
Energy: 1.2156500487886714
Energy: 1.2161116697893306
Energy: 1.2254729719933548
Energy: 1.203883599853389
Energy: 1.2137393030129209
Energy: 1.2247652127442445
Energy: 1.2296905163995406
Energy: 1.2164495474736703
Energy: 1.2252228338043714
Energy: 1.226460252822142
Energy: 1.2147675923939338
Energy: 1.2138714335512988
Energy: 1.226572890905023
Energy: 1.2276287960445504
Energy: 1.2075622369332555
Energy: 1.2239483392758186
Energy: 1.2133801119170413
Energy: 1.2281686684609887
Energy: 1.2280176265355582
Energy: 1.229501174998351
Energy: 1.2216144407397858
Energy: 1.2404719841792806
Energy: 1.2303079268371204
Energy: 1.2488027659044332
Energy: 1.2175550630734857
Energy: 1.2475503043955667
Energy: 1.2499141613017164
Energy: 1.2255205213550677
Energy: 1.2470349062684263
Energy: 1.3643637859911544
Energy: 1.2046996987353011
Energy: 1.2065465215913496
Energy: 1.2343118539430475
Energy: 1.1961301186904685
Energy: 1.22304719510786
Energy: 1.3751212001319733
Energy: 1.256118332029267
Energy: 1.2634740450617525
Energy: 1.23313744279712
Energy: 1.2545913879139154
Energy: 1.2493039897749443
Energy: 1.191255370659979
Energy: 1.2355761863295527
Energy: 1.222858587813395
Energy: 1.1904467304531434
Energy: 1.2366893816690765
Energy: 1.20882811948296

minimum gb energy = 1.1904467304531434 eV
minimum distance =  2.33160659627723 Angstroms
sigma value = 41


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

Energy: 1.5402890883017402
Energy: 1.569173195565781
Energy: 1.4970770386306282
Energy: 1.4969699118461008
Energy: 1.5222265607272583
Energy: 1.4974791135353307
Energy: 1.563418438145151
Energy: 1.50743008476799
Energy: 1.511483467030633
Energy: 1.5301853759160478
Energy: 1.5054773897040685
Energy: 1.4867989273278999
Energy: 1.6613822516108392
Energy: 1.4704378947633927
Energy: 1.468069417996203
Energy: 1.525345644298563
Energy: 1.4731253034740326
Energy: 1.469802126571488
Energy: 1.5232425303162929
Energy: 1.469677326222831
Energy: 1.4683582330158937
Energy: 1.5229004292385315
Energy: 1.4712712522374425
Energy: 1.524982117365897
Energy: 1.5273213391574394
Energy: 1.504245269865252
Energy: 1.5124566383541713
Energy: 1.5297413727903468
Energy: 1.5043352567832384
Energy: 1.4847706643451952
Energy: 1.4783262292321977
Energy: 1.5026177464383208
Energy: 1.4831127489619635
Energy: 1.4691856362407867
Energy: 1.5030928201551588
Energy: 1.4831110559093987
Energy: 1.5737979622182479
Energy: 1.5177342474585305
Energy: 1.5029699069180167
Energy: 1.4877685057007983
Energy: 1.517000627162245
Energy: 1.481641405073045
Energy: 1.5709786190339265
Energy: 1.485595287328807
Energy: 1.4850940188993165
Energy: 1.4861109283809577
Energy: 1.4819155302020857
Energy: 1.4845278167604878
Energy: 1.4700165021916087
Energy: 1.4845394640078267
Energy: 1.481663783718904
Energy: 1.475799398903351
Energy: 1.4869847487694066
Energy: 1.4798336547429127
Energy: 1.4969810595504025
Energy: 1.4848773544564047
Energy: 1.4817536364047892
Energy: 1.4871237987886854
Energy: 1.4898972241535848
Energy: 1.4810633344797428
Energy: 1.4992904542539298
Energy: 1.5064618084932575
Energy: 1.5236056350308096
Energy: 1.502491046717957
Energy: 1.509180875583295
Energy: 1.4839421766268501
Energy: 1.691625506163052
Energy: 1.4743808403255778
Energy: 1.477455685756551
Energy: 1.5052762694170123
Energy: 1.4771573200420842
Energy: 1.4768176385899854
Energy: 1.6973344559795105
Energy: 1.5327336561203229
Energy: 1.5255655719350318
Energy: 1.5096041189888156
Energy: 1.5161666519678996
Energy: 1.4835266931545255
Energy: 1.4771403894078932
Energy: 1.5052825017533351
Energy: 1.4756203646975965
Energy: 1.464461513475501
Energy: 1.5048451373247582
Energy: 1.4744077096950017

minimum gb energy = 1.464461513475501 eV
minimum distance =  2.32519495326104 Angstroms
sigma value = 11


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

Energy: 1.8030886974993463
Energy: 1.8356065491764137
Energy: 1.824642049600594
Energy: 1.7898522210746
Energy: 1.759497629477073
Energy: 1.815756553893249
Energy: 1.9351191023096155
Energy: 1.706055131440678
Energy: 1.6983998627162735
Energy: 1.7053619280875292
Energy: 1.7254660827088155
Energy: 1.7015117705487035
Energy: 2.017453074836374
Energy: 1.6830812741239618
Energy: 1.6823383432444199
Energy: 1.708381482108666
Energy: 1.6841805240050753
Energy: 1.7075636624467005
Energy: 1.740164551383774
Energy: 1.6828398301030385
Energy: 1.7068430852096503
Energy: 1.709402918257144
Energy: 1.6834648002613863
Energy: 1.7047687975577206
Energy: 1.7396105947620126
Energy: 1.6988273026390226
Energy: 1.6956164991793141
Energy: 1.7088311078938645
Energy: 1.6941035105970619
Energy: 1.6947259641227896
Energy: 1.739706033336828
Energy: 1.6765875806761428
Energy: 1.6761690513674807
Energy: 1.6958345054219182
Energy: 1.6782763943950252
Energy: 1.6769885461585414
Energy: 1.751693421640896
Energy: 1.6771626902053762
Energy: 1.676746362914845
Energy: 1.6776508679142768
Energy: 1.6719712013874042
Energy: 1.6759579521407215
Energy: 1.7986594657118709
Energy: 1.6931284722088191
Energy: 1.6953494929180986
Energy: 1.6945573881537972
Energy: 1.7033350770233813
Energy: 1.6957020674376053
Energy: 1.7232020993234813
Energy: 1.7072839182951638
Energy: 1.7069327778212868
Energy: 1.6763515037434507
Energy: 1.7085617720827542
Energy: 1.6903456475162095
Energy: 1.723135274460268
Energy: 1.7072070315475247
Energy: 1.7068446621421576
Energy: 1.6757953702469432
Energy: 1.708261648988251
Energy: 1.6902413381787948
Energy: 1.8135486995265497
Energy: 1.7081990970418284
Energy: 1.7024266294632782
Energy: 1.7258504855641008
Energy: 1.7143969501320755
Energy: 1.704072953010816
Energy: 1.7570953308508017
Energy: 1.6811649474522488
Energy: 1.6822224331747226
Energy: 1.7350349787898598
Energy: 1.6737457602440353
Energy: 1.681041338821981
Energy: 1.7511322706582955
Energy: 1.6891515681750584
Energy: 1.6891249262278796
Energy: 1.7333125927967858
Energy: 1.7037986738934487
Energy: 1.702539522053251
Energy: 1.7254823579414773
Energy: 1.6901226368720945
Energy: 1.689206950592005
Energy: 1.6842897368564527
Energy: 1.6895107900688418
Energy: 1.689012541149736
Energy: 1.752592812479913
Energy: 1.6909333288647381
Energy: 1.6884984487666292
Energy: 1.700298991109561
Energy: 1.6893616774126239
Energy: 1.689248594884644
Energy: 1.83130265287211
Energy: 1.6908547592673235
Energy: 1.690069778469023
Energy: 1.689107412608484
Energy: 1.6881782492188229
Energy: 1.6906621183124464
Energy: 1.7492663426908048
Energy: 1.6890778725588684
Energy: 1.6906302474349462
Energy: 1.7542844272904434
Energy: 1.6894815731066681
Energy: 1.6901825679047628
Energy: 1.7253584043713426
Energy: 1.7510367248326049
Energy: 1.7241006241893582
Energy: 1.6919186815728526
Energy: 1.7216270205049629
Energy: 1.6735261968534894
Energy: 1.7363333397624183
Energy: 1.6891259740606597
Energy: 1.6907278155784526
Energy: 1.7372934961177182
Energy: 1.689267972631958
Energy: 1.68889638791282
Energy: 1.7514660622151272
Energy: 1.6851894178533606
Energy: 1.6839870184875267
Energy: 1.7301273468319973
Energy: 1.6865605566438782
Energy: 1.71870065384267
Energy: 1.904239212893204
Energy: 1.6844567557552261
Energy: 1.7106274183352328
Energy: 1.7294590665197933
Energy: 1.6846830833053448
Energy: 1.7139385811725187
Energy: 1.7997710112983514
Energy: 1.7201731680091334
Energy: 1.7186922889027314
Energy: 1.7194937497335823
Energy: 1.7206652344483646
Energy: 1.721838018778661
Energy: 1.736494478001354
Energy: 1.7340766840407607
Energy: 1.7034252260325313
Energy: 1.6788029654663283
Energy: 1.7314986187991936
Energy: 1.6900335036673284
Energy: 1.879408611746823
Energy: 1.7144719147760008
Energy: 1.6887901133199388
Energy: 1.6897076564289057
Energy: 1.735581561568657
Energy: 1.6890294219917652
Energy: 1.7547932682540412
Energy: 1.6897793266992875
Energy: 1.6881782619616938
Energy: 1.7524845012105965
Energy: 1.6894857682798532
Energy: 1.6872987510657889
Energy: 1.7398870322238575
Energy: 1.6897397077175758
Energy: 1.6911986837682054
Energy: 1.689911128816171
Energy: 1.689996888178689
Energy: 1.6901692480151929
Energy: 1.7416646729104959
Energy: 1.6884466475664643
Energy: 1.691648069461134
Energy: 1.6887223117243408
Energy: 1.6886653598229728
Energy: 1.6896637974273054
Energy: 1.7378874455998203
Energy: 1.6884242547242547
Energy: 1.69110220491931
Energy: 1.6893051870418159
Energy: 1.6898010989895393
Energy: 1.6884327591776014
Energy: 1.7917688655343713
Energy: 1.6810397637247292
Energy: 1.679952894131208
Energy: 1.7110742385304565
Energy: 1.6856910820372
Energy: 1.6796432435131203
Energy: 2.0184037040459466
Energy: 1.7143575630200616
Energy: 1.68919558770139
Energy: 1.690221742465118
Energy: 1.724542753060772
Energy: 1.6883596119791782
Energy: 1.7616595444051628
Energy: 1.7055975077009833
Energy: 1.6975422070353043
Energy: 1.6791350593057741
Energy: 1.7062599127440916
Energy: 1.6874718765799779

minimum gb energy = 1.6719712013874042 eV
minimum distance =  2.30190954658449 Angstroms
sigma value = 57


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

Energy: 2.5370728446923603
Energy: 1.8685264944494888
Energy: 1.8676730403301183
Energy: 1.8651148506592519
Energy: 1.845619533383171
Energy: 1.8666303173406322
Energy: 1.943767612199302
Energy: 1.7999154246102425
Energy: 1.8011981113049698
Energy: 1.7988401131007161
Energy: 1.8630246609894339
Energy: 1.8006944513026955
Energy: 2.0454166836712235
Energy: 1.7836494910261238
Energy: 1.782711776890879
Energy: 1.8642755484591382
Energy: 1.7847162115056705
Energy: 1.8040714900621546
Energy: 1.8805967763884592
Energy: 1.7993000763477567
Energy: 1.7976919088090197
Energy: 1.8663395624784944
Energy: 1.7842296199164065
Energy: 1.799034869273405
Energy: 1.8549863865477805
Energy: 1.8033243141204407
Energy: 1.7990822155974697
Energy: 1.8006934168587736
Energy: 1.7983898974346748
Energy: 1.7976599480158832
Energy: 1.872045037809403
Energy: 1.799504224700764
Energy: 1.79865728106715
Energy: 1.8010457932238413
Energy: 1.8016483232002032
Energy: 1.7980426357531418
Energy: 1.8856445800077584
Energy: 1.7823035198525772
Energy: 1.782119426993746
Energy: 1.7991947878479269
Energy: 1.783896827017976
Energy: 1.7972337231571414
Energy: 2.061129836847701
Energy: 1.8007697958347924
Energy: 1.8015384702931938
Energy: 1.8001624148955293
Energy: 1.7994038506383883
Energy: 1.80018665043183
Energy: 1.8965419978444733
Energy: 1.8031761204230123
Energy: 1.7844489969633508
Energy: 1.7882074897089397
Energy: 1.7997855439052013
Energy: 1.784839994180118
Energy: 1.8937641388706514
Energy: 1.8028418225591565
Energy: 1.7840272088605615
Energy: 1.7881525709074593
Energy: 1.8015232040353226
Energy: 1.7849836070213216
Energy: 2.0381211227451512
Energy: 1.7997166752243003
Energy: 1.7983462935056331
Energy: 1.8635261265764682
Energy: 1.8001700824291174
Energy: 1.7973113274840087
Energy: 1.887489491353844
Energy: 1.7832437184375156
Energy: 1.7824931056796698
Energy: 1.7987763907522092
Energy: 1.7848856327333407
Energy: 1.8030637744455962
Energy: 1.8581798176652085
Energy: 1.804526027272252
Energy: 1.7998288488170322
Energy: 1.8575683676597312
Energy: 1.799747953590843
Energy: 1.7985240329982515
Energy: 1.8773436460156225
Energy: 1.8001508710433585
Energy: 1.7985590507226203
Energy: 1.801501906562361
Energy: 1.8014373591771347
Energy: 1.7980133269832905
Energy: 1.8502986053391008
Energy: 1.7855377129948582
Energy: 1.7981547503744484
Energy: 1.8010800599501167
Energy: 1.7826178941947521
Energy: 1.7975943188444568
Energy: 2.055620869229303
Energy: 1.7854514294571804
Energy: 1.7836214399206285
Energy: 1.8009745172938825
Energy: 1.7816397058963664
Energy: 1.7973381519173022
Energy: 1.8719033086756316
Energy: 1.8005251422348891
Energy: 1.8003168086577186
Energy: 1.7858843301594565
Energy: 1.8635569611077571
Energy: 1.8003239476333754

minimum gb energy = 1.7816397058963664 eV
minimum distance =  2.30516372661406 Angstroms
sigma value = 9


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

Energy: 2.0299847041188674
Energy: 1.918152070765377
Energy: 1.8828679374220008
Energy: 1.89740433615152
Energy: 2.0259844858339346
Energy: 1.8827206641982968
Energy: 2.0760965566553047
Energy: 1.8367464241775173
Energy: 1.8369137016928654
Energy: 1.836671955939443
Energy: 1.8392236560366417
Energy: 1.8503091490904588
Energy: 1.9935684689719213
Energy: 1.9005532226287065
Energy: 1.8532353103887846
Energy: 1.855884686955929
Energy: 1.8970959609810518
Energy: 1.8517476367168786
Energy: 1.8423402019229949
Energy: 1.8529939861998779
Energy: 1.848536830469119
Energy: 1.859264808926784
Energy: 1.8177252028313693
Energy: 1.8503874014294772
Energy: 1.8430593689136667
Energy: 1.7800941576160618
Energy: 1.805806249422574
Energy: 1.8414629450092337
Energy: 1.781914995405745
Energy: 1.807628938842872
Energy: 1.8401346907765919
Energy: 1.8077522215120614
Energy: 1.804311197065459
Energy: 1.819628452497535
Energy: 1.813006497669056
Energy: 1.8060402063108967
Energy: 1.8684922142790483
Energy: 1.889685565693618
Energy: 1.8623029832056872
Energy: 1.8015688965892138
Energy: 1.9209795109442664
Energy: 1.8627240549654227
Energy: 2.015257718920584
Energy: 1.810935814947997
Energy: 1.8073622055167995
Energy: 1.806122768954688
Energy: 1.8092144864078614
Energy: 1.807202992454243
Energy: 1.9757869958032486
Energy: 1.8061279433377913
Energy: 1.805866259947338
Energy: 1.8712964405393815
Energy: 1.807443480644455
Energy: 1.8483852649637587
Energy: 1.972345587972677
Energy: 1.8066147829107102
Energy: 1.8059649483654598
Energy: 1.8747469430599082
Energy: 1.81197360260626
Energy: 1.80627313619299
Energy: 2.017375978800852
Energy: 1.8231590371000321
Energy: 1.820743267200469
Energy: 1.8067632494326853
Energy: 1.8092011614312038
Energy: 1.8189449108425102
Energy: 1.9603348042284063
Energy: 1.8508530079439047
Energy: 1.849317852017448
Energy: 1.8396699532110075
Energy: 1.8434229792932624
Energy: 1.8507133179054291
Energy: 1.955226501808533
Energy: 1.8515315839452033
Energy: 1.8521114785444988
Energy: 1.927420373304963
Energy: 1.8549958611250688
Energy: 1.8936071864882373
Energy: 1.9577173597705906
Energy: 1.8557424852857285
Energy: 1.8537776941401842
Energy: 1.8143410915980769
Energy: 1.8527752115358023
Energy: 1.851090813041769
Energy: 1.9609335500690386
Energy: 1.8040227921313094
Energy: 1.8038767927345096
Energy: 1.8445416077948629
Energy: 1.8059430803663896
Energy: 1.8370353835494029
Energy: 1.9334752095339363
Energy: 1.8414389206616697
Energy: 1.803110165303019
Energy: 1.821753319325779
Energy: 1.843316835921682
Energy: 1.8034684652422481
Energy: 1.9109973569750112
Energy: 1.8486396797024025
Energy: 1.847379517616668
Energy: 1.8522218638983317
Energy: 1.8519622218580147
Energy: 1.8511494018750196
Energy: 1.9101985842109146
Energy: 1.8208231355348443
Energy: 1.8441404512645927
Energy: 1.8943311846407827
Energy: 1.8382196657668368
Energy: 1.889703347233686
Energy: 1.94964122875237
Energy: 1.9034343956042465
Energy: 1.9011782219200766
Energy: 1.9143491376195187
Energy: 1.8633786163076238
Energy: 1.897227846146406
Energy: 1.8572657419761813
Energy: 1.9018615729825505
Energy: 1.897147241291727
Energy: 1.897884800182598
Energy: 1.9068006815646588
Energy: 1.8520573391537387
Energy: 1.9604928704917504
Energy: 1.836957930233236
Energy: 1.8406658386976071
Energy: 1.8055459834631333
Energy: 1.8389979722841052
Energy: 1.841970930273921

minimum gb energy = 1.7800941576160618 eV
minimum distance =  2.27926852103558 Angstroms
sigma value = 27


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

Energy: 2.273683668870818
Energy: 1.8015094697847542
Energy: 1.8006334615492716
Energy: 1.8137150643873743
Energy: 1.8334364329941033
Energy: 1.8010483498246819
Energy: 1.893051506227547
Energy: 1.836514514391679
Energy: 1.8331302407225472
Energy: 1.7995424413092262
Energy: 1.8619268675053309
Energy: 1.833045468755863
Energy: 1.9276771230310066
Energy: 1.795955881177104
Energy: 1.8589037612952997
Energy: 1.7792792065835845
Energy: 1.820916666646717
Energy: 1.8599467882349132
Energy: 1.9268101751674307
Energy: 1.8354152626201816
Energy: 1.8327895466340822
Energy: 1.8314856809455802
Energy: 1.8408755491731263
Energy: 1.832926400226783
Energy: 1.8384861960137147
Energy: 1.8285247245541867
Energy: 1.827565342619673
Energy: 1.8130676955411003
Energy: 1.8308324328675032
Energy: 1.828345328977665
Energy: 1.8842626753738072
Energy: 1.8257505771880826
Energy: 1.8233319336412046
Energy: 1.8252402726264543
Energy: 1.8318604025762668
Energy: 1.8233546704285546
Energy: 1.9146838635771648
Energy: 1.7858648378212212
Energy: 1.7854125960544207
Energy: 1.7896088904480387
Energy: 1.787648524361951
Energy: 1.785866455596468
Energy: 1.9460077107408256
Energy: 1.7901443855346977
Energy: 1.8302358731558486
Energy: 1.8317280068710808
Energy: 1.7943677709288923
Energy: 1.8306564887846872
Energy: 2.022780422279011
Energy: 1.7997203287461987
Energy: 1.7989538409535575
Energy: 1.8013293166511015
Energy: 1.8019396452099696
Energy: 1.797735748953693
Energy: 2.024465038971526
Energy: 1.7993796075879633
Energy: 1.7983701750069199
Energy: 1.8010684896259213
Energy: 1.8006226559035683
Energy: 1.7981972117038485
Energy: 1.9217056658873692
Energy: 1.800021874877515
Energy: 1.798940371375263
Energy: 1.8272954249890252
Energy: 1.8100231318240918
Energy: 1.843484032986594
Energy: 1.8879699502902654
Energy: 1.8242698138124016
Energy: 1.822014108696414
Energy: 1.8279413837938712
Energy: 1.8216067175650092
Energy: 1.8202200054973061
Energy: 1.812037983468412
Energy: 1.8465815446107579
Energy: 1.7856324343318175
Energy: 1.7945212075535923
Energy: 1.8512998084704069
Energy: 1.7846496413631807
Energy: 1.8017847968102179
Energy: 1.8408669688407413
Energy: 1.830012588115264
Energy: 1.8041844794422333
Energy: 1.7992121377611108
Energy: 1.7842218567145274
Energy: 1.8880884243672968
Energy: 1.795790184955046
Energy: 1.7955262752855758
Energy: 1.8228392894076817
Energy: 1.7964529328757488
Energy: 1.7953188971621739
Energy: 1.9329079583609496
Energy: 1.794932977626335
Energy: 1.7947012502162405
Energy: 1.7986678936142761
Energy: 1.7962689930040328
Energy: 1.795062525763185
Energy: 1.8396849022866104
Energy: 1.8076062102161743
Energy: 1.8049686605486068
Energy: 1.8196247318338543
Energy: 1.8099633702991187
Energy: 1.8044591655442304
Energy: 1.9305251420247351
Energy: 1.827485855077837
Energy: 1.7966727524165815
Energy: 1.8033654505839178
Energy: 1.8306438574725403
Energy: 1.800371477828911
Energy: 1.917297003352513
Energy: 1.7898309910422523
Energy: 1.7874267690860075
Energy: 1.8333292411569526
Energy: 1.7926288730556181
Energy: 1.7867175187510211
Energy: 1.9613960771404546
Energy: 1.7900983787341593
Energy: 1.7869600514847181
Energy: 1.7834736505976674
Energy: 1.7929776704675018
Energy: 1.786547133767984
Energy: 1.950586085606869
Energy: 1.8269396329104608
Energy: 1.8288054810658345
Energy: 1.8276062036869578
Energy: 1.8292515106251757
Energy: 1.8281664263232966
Energy: 1.8423872729917792
Energy: 1.8193418911087755
Energy: 1.8276209258561233
Energy: 1.8207102520667084
Energy: 1.8599974772653256
Energy: 1.8268722140441955
Energy: 1.960742364761439
Energy: 1.832163872627747
Energy: 1.8291892207837548
Energy: 1.8241439734574911
Energy: 1.8325653357592986
Energy: 1.825174282780769
Energy: 1.9286430087178146
Energy: 1.8192962236374959
Energy: 1.8179030088959538
Energy: 1.850563315224223
Energy: 1.8180454429860886
Energy: 1.9025773656991187
Energy: 1.895702790956045
Energy: 1.8703054052113912
Energy: 1.8522344988380572
Energy: 1.8076202384942328
Energy: 1.871877132038624
Energy: 1.8091585698521464

minimum gb energy = 1.7792792065835845 eV
minimum distance =  2.26533772064519 Angstroms
sigma value = 19


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

Energy: 1.911388017873948
Energy: 1.7451912172921964
Energy: 1.756777748262299
Energy: 1.7642313112846042
Energy: 1.725135999479324
Energy: 1.7947932206140929
Energy: 1.9217203180279079
Energy: 1.7846872208578273
Energy: 1.7820288615777224
Energy: 1.7811411699667477
Energy: 1.7160358575570762
Energy: 1.7825720820482231
Energy: 1.89314477088186
Energy: 1.7737592608662371
Energy: 1.7670550802344065
Energy: 1.74625944888595
Energy: 1.7631538723282116
Energy: 1.765937962252186
Energy: 1.854947332717711
Energy: 1.7828327992278898
Energy: 1.7788017225725328
Energy: 1.7794017360827674
Energy: 1.7817792189811332
Energy: 1.7781241624582662
Energy: 1.8503717465502356
Energy: 1.744477896903372
Energy: 1.7588760660379783
Energy: 1.7817327072647537
Energy: 1.7532076755568642
Energy: 1.7595072110360377
Energy: 1.8548529215498466
Energy: 1.7834063503723778
Energy: 1.780283957979168
Energy: 1.7330466513400842
Energy: 1.7805961476028545
Energy: 1.7801037611560646
Energy: 1.857032622750895
Energy: 1.764081837696966
Energy: 1.7663166112711437
Energy: 1.7219615113383733
Energy: 1.7636191484037238
Energy: 1.7527394958286189
Energy: 1.8555946350031003
Energy: 1.7614931012006056
Energy: 1.782705152813594
Energy: 1.7158324746793936
Energy: 1.7623748848298526
Energy: 1.7830617831217523
Energy: 1.8328157466139539
Energy: 1.7628199782827865
Energy: 1.7683007379880629
Energy: 1.7722860520531067
Energy: 1.7663731507363534
Energy: 1.7676772675270263
Energy: 1.8283859157960336
Energy: 1.7666166403584993
Energy: 1.7631867983949365
Energy: 1.7720433111720615
Energy: 1.7647009358100365
Energy: 1.762539653605736
Energy: 1.8472066131690714
Energy: 1.7438858117505058
Energy: 1.744006759077653
Energy: 1.767981344403429
Energy: 1.7463016585751612
Energy: 1.7468220030505235
Energy: 1.8723601707292719
Energy: 1.7697551188708045
Energy: 1.7663424758709303
Energy: 1.7535998325150979
Energy: 1.7540318387787994
Energy: 1.7656624932086498
Energy: 1.8638320042398544
Energy: 1.720530283451714
Energy: 1.7527309346671767
Energy: 1.7713412362518068
Energy: 1.721161727304606
Energy: 1.7611311277300332
Energy: 1.9227625743374706
Energy: 1.764496277888052
Energy: 1.7656532854974667
Energy: 1.7443993623103848
Energy: 1.6852418971535201
Energy: 1.763922712568549
Energy: 1.8711545906529437
Energy: 1.73035584720556
Energy: 1.7290551868058597
Energy: 1.7473872490259006
Energy: 1.7429537252072775
Energy: 1.7287739826978488
Energy: 1.8681809222933217
Energy: 1.754032514722328
Energy: 1.7501250652941829
Energy: 1.7474844497400215
Energy: 1.746747506992193
Energy: 1.7493221412410724
Energy: 1.8470929064994088
Energy: 1.7625560290807036
Energy: 1.7586513869871636
Energy: 1.7413070744496022
Energy: 1.7558562513082216
Energy: 1.7589350474688878
Energy: 1.8842504061799112
Energy: 1.7309252310269607
Energy: 1.7520898228385082
Energy: 1.7291404253425922
Energy: 1.724703993453198
Energy: 1.752102945575607
Energy: 1.8660723015689051
Energy: 1.7637931672775993
Energy: 1.763822220982826
Energy: 1.756832772801239
Energy: 1.7730619034422823
Energy: 1.7241588115405158
Energy: 1.8050377452763908
Energy: 1.7635998370455142
Energy: 1.7634837533934586
Energy: 1.7252047632077447
Energy: 1.7630080855077028
Energy: 1.7313848360224118
Energy: 1.810054865369311
Energy: 1.746252793955004
Energy: 1.748312669677888
Energy: 1.7473305608081735
Energy: 1.7467310875285713
Energy: 1.7492485263632502
Energy: 1.8101462576193137
Energy: 1.7702183009917143
Energy: 1.7673101501799993
Energy: 1.7766852774188324
Energy: 1.7660752897065588
Energy: 1.7676648705016293
Energy: 1.8211884636907438
Energy: 1.7434078944081046
Energy: 1.7468881340670421
Energy: 1.685547550329947
Energy: 1.7439192520508728
Energy: 1.6922572768658883
Energy: 1.8697794888981547
Energy: 1.7431608265238845
Energy: 1.7462477723699856
Energy: 1.7044475242224673
Energy: 1.743670278949919
Energy: 1.7467336402170588
Energy: 1.871023962350743
Energy: 1.7674534230067978
Energy: 1.7706554513575898
Energy: 1.7745971444292836
Energy: 1.757704268304922
Energy: 1.770360665541758
Energy: 1.854968764438522
Energy: 1.758441689964871
Energy: 1.7619340775569166
Energy: 1.7873175922047388
Energy: 1.7585552409363114
Energy: 1.7625996597343356
Energy: 1.8683990117358014
Energy: 1.7642847848177339
Energy: 1.765139575245758
Energy: 1.7646980383294362
Energy: 1.7649568962542432
Energy: 1.7659080411064894
Energy: 1.893641026992943
Energy: 1.763225004403651
Energy: 1.786121883090822
Energy: 1.7800452021712942
Energy: 1.7864819106034242
Energy: 1.784586371718716
Energy: 1.8816991560679985
Energy: 1.7151273805549414
Energy: 1.7713275106419522
Energy: 1.7431424731274974
Energy: 1.7159770978952376
Energy: 1.7444619966859654

minimum gb energy = 1.6852418971535201 eV
minimum distance =  2.27808136238854 Angstroms
sigma value = 101


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

Energy: 2.8142616482994716
Energy: 1.689824924620505
Energy: 1.6890856100168818
Energy: 1.6404966042144473
Energy: 1.650734052900407
Energy: 1.6419534759318644
Energy: 1.8912183322803304
Energy: 1.681917165905999
Energy: 1.6797453814480594
Energy: 1.6879834926982014
Energy: 1.6765751169972503
Energy: 1.6786315689360982
Energy: 1.8472745812827123
Energy: 1.678494865187451
Energy: 1.670319674406036
Energy: 1.6789938742616635
Energy: 1.678768374025344
Energy: 1.6672591096718097
Energy: 1.7882197573366807
Energy: 1.678150987539147
Energy: 1.6742756072676837
Energy: 1.6776423692575673
Energy: 1.6845832833654397
Energy: 1.6736872602529298
Energy: 1.7665892833149524
Energy: 1.6738089537110454
Energy: 1.6769331431769976
Energy: 1.6769510846919258
Energy: 1.6802750287938366
Energy: 1.6962742273963793
Energy: 1.783745766843663
Energy: 1.678656376798813
Energy: 1.67562813634069
Energy: 1.6770549616981703
Energy: 1.6842027062790517
Energy: 1.675348434312049
Energy: 1.739473602389073
Energy: 1.6729723046057003
Energy: 1.6654981859745992
Energy: 1.6948973017230278
Energy: 1.6735295788156335
Energy: 1.6632324989654783
Energy: 1.7664820702918027
Energy: 1.682081086054156
Energy: 1.680495233470152
Energy: 1.6633549427216097
Energy: 1.6821139539134229
Energy: 1.6806572804772548
Energy: 1.7497481700964206
Energy: 1.6787321457804476
Energy: 1.6720637406123389
Energy: 1.6771809379470688
Energy: 1.6661959914432025
Energy: 1.671392606051324
Energy: 1.7550670562606627
Energy: 1.680277016261449
Energy: 1.6767549861382596
Energy: 1.6773301136735346
Energy: 1.6860527479325231
Energy: 1.6763041431584114
Energy: 1.7899640361688054
Energy: 1.6395082737524358
Energy: 1.6412552185384475
Energy: 1.6673106160254738
Energy: 1.674935568959524
Energy: 1.6401578102565606
Energy: 1.8177577830837905
Energy: 1.6809687055036315
Energy: 1.6780236887645597
Energy: 1.6792147228532783
Energy: 1.6738330656377949
Energy: 1.6779025835357195
Energy: 1.787891341160082
Energy: 1.6798482235271797
Energy: 1.6796506282969685
Energy: 1.6727170289725375
Energy: 1.6803158003171854
Energy: 1.6817074939969254
Energy: 1.7780156329099794
Energy: 1.694603864158921
Energy: 1.6794973238215416
Energy: 1.6726704930621257
Energy: 1.676364425595716
Energy: 1.6809002055490425
Energy: 1.8170367217058079
Energy: 1.6855004427099058
Energy: 1.6632987997774131
Energy: 1.678686888487153
Energy: 1.6887992131572596
Energy: 1.6785238677653795
Energy: 1.847934698897939
Energy: 1.677364075881288
Energy: 1.6748344937269661
Energy: 1.676486100133859
Energy: 1.6755262996079003
Energy: 1.674101229522122
Energy: 1.7764536007029836
Energy: 1.696692969679183
Energy: 1.6753784499655617
Energy: 1.7088845126314516
Energy: 1.6987837298410469
Energy: 1.6703329001611311
Energy: 1.8893734155191169
Energy: 1.6661104935486215
Energy: 1.6820680203933116
Energy: 1.677428187653047
Energy: 1.6590376420843453
Energy: 1.6768785156996056
Energy: 1.8463734703669388
Energy: 1.6831962861738095
Energy: 1.6803450607469326
Energy: 1.6662729913296146
Energy: 1.680467350944905
Energy: 1.6807021370811253
Energy: 1.7852023933033316
Energy: 1.6823245722665676
Energy: 1.6791313788659576
Energy: 1.6682966327170081
Energy: 1.6870470463433962
Energy: 1.6786504092725318
Energy: 1.7671660619738787
Energy: 1.665616686180336
Energy: 1.6663952516376814
Energy: 1.6805036550716363
Energy: 1.6668467021284255
Energy: 1.6743528965443508
Energy: 1.7831576403172962
Energy: 1.6792669938972677
Energy: 1.6758215965614693
Energy: 1.6764618158527425
Energy: 1.675647618794734
Energy: 1.675610930493735
Energy: 1.7827200805254713
Energy: 1.6690718413826027
Energy: 1.6688938007539809
Energy: 1.6710027747043432
Energy: 1.6708071385841035
Energy: 1.6688509077272127
Energy: 1.791245185377042
Energy: 1.6748360084141927
Energy: 1.67481991829015
Energy: 1.659558739891998
Energy: 1.67549467335242
Energy: 1.669140544872597
Energy: 1.7491055330933605
Energy: 1.6822446374357662
Energy: 1.6789120557094646
Energy: 1.6867711491252797
Energy: 1.6784736943402978
Energy: 1.6783925838934057
Energy: 1.7495732632826704
Energy: 1.6829036485822009
Energy: 1.6790041734644339
Energy: 1.6767658848465508
Energy: 1.678448451747033
Energy: 1.678690833524225
Energy: 1.7886500152986327
Energy: 1.6743815006004894
Energy: 1.6723431130068616
Energy: 1.6670760567012939
Energy: 1.6755251481634403
Energy: 1.6724805808879923
Energy: 1.8180306008765788
Energy: 1.6771997370726146
Energy: 1.6748488363069105
Energy: 1.6813240292520588
Energy: 1.6787677520069217
Energy: 1.681022727867147
Energy: 1.7811528172499431
Energy: 1.6781982880443613
Energy: 1.6894296013353312
Energy: 1.6695484202284772
Energy: 1.6793588840817624
Energy: 1.6794093436899113
Energy: 1.7839780932940748
Energy: 1.67375125418093
Energy: 1.6735225142153904
Energy: 1.6742106712434768
Energy: 1.6777167873129346
Energy: 1.6728690315811046
Energy: 1.816140439011106
Energy: 1.682402708930008
Energy: 1.6797528816614515
Energy: 1.6787314390629464
Energy: 1.6824932938769008
Energy: 1.6796054634644464
Energy: 1.846776619864656
Energy: 1.681652307871601
Energy: 1.677643221768484
Energy: 1.678159460618101
Energy: 1.684695088218393
Energy: 1.6765466995092895
Energy: 1.7775055613107824
Energy: 1.6772113124993329
Energy: 1.6667840581277762
Energy: 1.673750603398632
Energy: 1.6779920196270663
Energy: 1.666041923707744

minimum gb energy = 1.6395082737524358 eV
minimum distance =  2.2946717440146 Angstroms
sigma value = 33


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

Energy: 0.01770888872636757
Energy: 0.01873938163443399
Energy: 0.018636042885408783
Energy: 0.020191048322540386
Energy: 2.2785856081250957
Energy: 0.018548569952850025
Energy: 0.019963656802847833
Energy: 0.19755803590675222
Energy: 0.19502468794687108
Energy: 0.19820355167323472
Energy: 0.19677229283449557
Energy: 0.19448548760196221
Energy: 2.8458367587495967
Energy: 2.271371459007298
Energy: 2.276900031186682
Energy: 2.277157177771516
Energy: 2.2859639244550536
Energy: 2.269184495930712
Energy: 0.019963656802847833
Energy: 0.197558035908072
Energy: 0.1950246879473279
Energy: 0.19820355167188955
Energy: 0.1967722928353839
Energy: 0.19448548760196221

minimum gb energy = 0.01770888872636757 eV
minimum distance =  2.47896003205988 Angstroms
sigma value = 1