Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_001
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=3.491938583552837
cohesive_energy=4.443733403167747
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=[2.04780604298076e-19, 2.8939475669288398e-19, 3.54069820877562e-19, 4.0779560994548396e-19, 4.51603925648946e-19, 4.8880806926706e-19, 5.208147518844779e-19, 5.48548429419018e-19, 5.72675607350424e-19, 5.937025734950399e-19, 6.12045893777706e-19, 6.28107714533556e-19, 6.425401216526279e-19, 6.56280388465812e-19, 6.690769732415699e-19, 6.796785760287479e-19, 6.88136466479634e-19, 6.949537280573039e-19, 7.00433172145584e-19, 7.047334142312399e-19, 7.079601979721159e-19, 7.10190427846644e-19, 7.11488190920184e-19, 7.11907961198292e-19, 7.114577495641379e-19, 7.10007779710368e-19, 7.0740103832685e-19, 7.034388555109681e-19, 6.9793217441991e-19, 6.90723981743544e-19, 6.817261577669999e-19, 6.70594234513968e-19, 6.563428733545379e-19, 6.381036945530819e-19, 6.153143341110659e-19, 5.87258619073092e-19, 5.5293518904291e-19, 5.1107031359649e-19, 4.60140322754898e-19, 3.98946788395902e-19, 3.2637940211214e-19, 2.35971779008788e-19, 1.226253123834678e-19, -1.83449224593e-20, -1.9391143801301998e-19, -4.1405210970125396e-19, -6.954343810475039e-19, -1.050952569602202e-18, -1.5102437387410799e-18, -2.12378125896504e-18, -2.94033058048314e-18, -4.02881734209006e-18, -5.46452782381746e-18, -7.10113523368212e-18]
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: -8.48587922344666e-25 eV

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

Energy: 0.0183667565145203
Energy: 0.018706103240627082
Energy: 0.01870872416805018
Energy: 0.018651733668813095
Energy: 0.7309937856617417
Energy: 0.018701328896005138
Energy: 0.018706103240627082
Energy: 0.17538308072615913
Energy: 0.1756962008304775
Energy: 0.17577050543668626
Energy: 0.17507315739020923
Energy: 0.1757271840747263
Energy: 0.01870872416805018
Energy: 0.1756962008304775
Energy: 0.176144389542914
Energy: 0.018723960627936947
Energy: 0.17532615826184011
Energy: 0.17644910606505612
Energy: 0.018651733668813095
Energy: 0.17577050543635014
Energy: 0.01872396062760085
Energy: 0.0188839143635162
Energy: 0.17722647440974174
Energy: 0.01872093971541598
Energy: 0.7309937856617417
Energy: 0.17507315739020923
Energy: 0.17532615826184011
Energy: 0.17722647440974174
Energy: 0.1755232363545007
Energy: 0.1751351536307728
Energy: 0.018701328896005138
Energy: 0.17572718407439017
Energy: 0.17644910606505612
Energy: 0.01872093971541598
Energy: 0.1751351536307728
Energy: 0.018889865330013574

minimum gb energy = 0.0183667565145203 eV
minimum distance =  2.46614526935128 Angstroms
sigma value = 1


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

Energy: 2.0049962411804394
Energy: 1.3206614884540702
Energy: 1.3541722922063022
Energy: 1.22272198567888
Energy: 1.2941228695671738
Energy: 1.369966685312979
Energy: 1.9295346425066109
Energy: 1.2924249970588597
Energy: 1.2488327702575441
Energy: 1.2577799843547939
Energy: 1.3162252838853876
Energy: 1.3081787030115422
Energy: 1.7793472060719473
Energy: 1.2695970541931232
Energy: 1.2926417549987892
Energy: 1.3178606526337253
Energy: 1.3182581153102
Energy: 1.2805533736199795
Energy: 2.0397931206329245
Energy: 1.2732124631836494
Energy: 1.253821345547665
Energy: 1.2850762555232929
Energy: 1.2749849125687656
Energy: 1.2798609625448025
Energy: 1.8657514700902824
Energy: 1.295646540596278
Energy: 1.3030817682733271
Energy: 1.2721158743714134
Energy: 1.27300049717205
Energy: 1.3016382323576516
Energy: 1.850615629342289
Energy: 1.3151033988881748
Energy: 1.303482281096782
Energy: 1.2811581805022827
Energy: 1.3001100691322345
Energy: 1.3070350299118652
Energy: 1.8515416548079175
Energy: 1.2859666939372196
Energy: 1.3044915264472265
Energy: 1.2855847753289087
Energy: 1.2895341584000293
Energy: 1.3049172087379965
Energy: 1.78172562202879
Energy: 1.3151499528394797
Energy: 1.3146848781446752
Energy: 1.1936774925283173
Energy: 1.3152132282335778
Energy: 1.2890612097234355
Energy: 1.4853469210299264
Energy: 1.268606913193527
Energy: 1.3057396065254745
Energy: 1.3151863500101455
Energy: 1.2903385265119116
Energy: 1.3162335029361487
Energy: 1.4861362397062652
Energy: 1.3048425154534742
Energy: 1.303844253748251
Energy: 1.27041859534209
Energy: 1.3012090819653435
Energy: 1.3032309083319742
Energy: 1.4636688254347066
Energy: 1.262957216634676
Energy: 1.2373382579965913
Energy: 1.3207236146591776
Energy: 1.2846160911478595
Energy: 1.2649563744092978
Energy: 1.3189888100702007
Energy: 1.2780387987741282
Energy: 1.2752967418749934
Energy: 1.3164878881724276
Energy: 1.315717275727421
Energy: 1.2795573573234653
Energy: 1.3156187433911084
Energy: 1.276896224170288
Energy: 1.306041089471652
Energy: 1.3157102720415157
Energy: 1.292457855047145
Energy: 1.2875306429586084
Energy: 1.466980678997473
Energy: 1.2800127455529913
Energy: 1.252718273126541
Energy: 1.2824886859803828
Energy: 1.2797434259601548
Energy: 1.2717172772130116
Energy: 1.3713576022709122
Energy: 1.301884532322116
Energy: 1.3009919424542593
Energy: 1.2896095921498165
Energy: 1.2735537248219293
Energy: 1.2790229456398392
Energy: 1.372554832278414
Energy: 1.2578138115432906
Energy: 1.278958923592364
Energy: 1.3204088904642168
Energy: 1.3024190907882123
Energy: 1.2911072058022253
Energy: 1.7084813065033144
Energy: 1.3026513493119751
Energy: 1.3025158730336177
Energy: 1.2549923024698477
Energy: 1.3030436264258378
Energy: 1.279363327540465
Energy: 1.6636323683382586
Energy: 1.301981309754333
Energy: 1.3200738511190286
Energy: 1.3189874033254554
Energy: 1.272357546111713
Energy: 1.320208381012418
Energy: 1.6659905006233715
Energy: 1.3194061838719968
Energy: 1.320555582903157
Energy: 1.272594442284788
Energy: 1.3191319384473656
Energy: 1.320071912291728
Energy: 1.7789235252373727
Energy: 1.3189852779488846
Energy: 1.3213973443921254
Energy: 1.2717768715975442
Energy: 1.2999199118840217
Energy: 1.3195518298010245
Energy: 1.9320928154345178
Energy: 1.2542865900367792
Energy: 1.2390722188900491
Energy: 1.2848845751844689
Energy: 1.2542088770002515
Energy: 1.2388125901963145
Energy: 1.942187101153347
Energy: 1.3216923827175528
Energy: 1.302010977919759
Energy: 1.314254886263684
Energy: 1.3203394810913387
Energy: 1.2716629382536684
Energy: 1.9293312172528108
Energy: 1.288139561737362
Energy: 1.2769461124727206
Energy: 1.2858259828279595
Energy: 1.2880235121501478
Energy: 1.3028819726845149

minimum gb energy = 1.1936774925283173 eV
minimum distance =  2.28953185305905 Angstroms
sigma value = 33


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

Energy: 2.405726286771187
Energy: 1.4207477490957978
Energy: 1.3586004848435962
Energy: 1.3639600235989653
Energy: 1.4087460533743963
Energy: 1.422430447207859
Energy: 1.6720453473466237
Energy: 1.3693681919279685
Energy: 1.3328203121135602
Energy: 1.3710585572640561
Energy: 1.3689902432754388
Energy: 1.3407128012401148
Energy: 1.839763232665071
Energy: 1.3451459285304814
Energy: 1.3654198964089521
Energy: 1.4150551618454377
Energy: 1.3503730434460377
Energy: 1.3660226244309217
Energy: 1.9866332311410535
Energy: 1.4419136398348669
Energy: 1.3605231586407123
Energy: 1.375513452299912
Energy: 1.3738038558718546
Energy: 1.3697828457228036
Energy: 1.8397307171130546
Energy: 1.4561946110052246
Energy: 1.387099290538146
Energy: 1.3798224711552196
Energy: 1.3703458051833948
Energy: 1.4194803998070968
Energy: 1.9727755595500898
Energy: 1.4787242347577616
Energy: 1.335049185618592
Energy: 1.3270482343551397
Energy: 1.386250550863538
Energy: 1.455183497458355
Energy: 1.9697165406486346
Energy: 1.4207084391814906
Energy: 1.4537979150058307
Energy: 1.4513671829242605
Energy: 1.425658019489526
Energy: 1.4340682468573474
Energy: 1.833127839129458
Energy: 1.4122468922506741
Energy: 1.4124813200323911
Energy: 1.3549090528450192
Energy: 1.4071997542582122
Energy: 1.4132467228887937
Energy: 1.5838195885718422
Energy: 1.4119339863519613
Energy: 1.4598422112221288
Energy: 1.4797014274371478
Energy: 1.4123060038612405
Energy: 1.4730834900638712
Energy: 1.5834712244510842
Energy: 1.4622438962493798
Energy: 1.4617903669252164
Energy: 1.4716736802441344
Energy: 1.4616344498339882
Energy: 1.4525050488085522
Energy: 1.586634652273121
Energy: 1.323092404260091
Energy: 1.3231150026997798
Energy: 1.3775614299091021
Energy: 1.3249943306649923
Energy: 1.32245573344922
Energy: 1.4742471786652556
Energy: 1.3592324773912008
Energy: 1.3891723103299287
Energy: 1.4158672462646793
Energy: 1.4027658389295985
Energy: 1.4156021827198435
Energy: 1.4722280446732445
Energy: 1.4545971646265772
Energy: 1.4570639416206748
Energy: 1.4559131017807168
Energy: 1.469008020695767
Energy: 1.4525775332180384
Energy: 1.662349194964037
Energy: 1.3751450444073656
Energy: 1.3703381874313945
Energy: 1.4577563643967277
Energy: 1.3646907035800124
Energy: 1.3302551943057597
Energy: 1.5846506728822847
Energy: 1.4673192106421917
Energy: 1.42005547433141
Energy: 1.4649842689542858
Energy: 1.4628021731727379
Energy: 1.458879033953942
Energy: 1.5850534963302378
Energy: 1.4159677789401153
Energy: 1.41553835616183
Energy: 1.4719635436564895
Energy: 1.4139956781391352
Energy: 1.4446297820613385
Energy: 1.728439825581665
Energy: 1.4201657002509231
Energy: 1.4203616847508063
Energy: 1.3902990454146866
Energy: 1.4199623493029796
Energy: 1.419268431599442
Energy: 1.7414681331253459
Energy: 1.462078168101007
Energy: 1.4613291436144107
Energy: 1.4058442571242062
Energy: 1.4646249320524405
Energy: 1.4124843849151234
Energy: 1.7415251054306957
Energy: 1.4854715835517622
Energy: 1.479058057765656
Energy: 1.4118844393726955
Energy: 1.4866092652763996
Energy: 1.4673146197506293
Energy: 1.7772570359848907
Energy: 1.4721366812637142
Energy: 1.4713153574624938
Energy: 1.461505661389705
Energy: 1.4552362889543657
Energy: 1.462507271215444
Energy: 2.091190016688946
Energy: 1.405759642276324
Energy: 1.262798413400281
Energy: 1.264105282696612
Energy: 1.405734609457853
Energy: 1.262661560696005
Energy: 1.5983130509985926
Energy: 1.4261582096890995
Energy: 1.41025772657637
Energy: 1.3554020892651366
Energy: 1.4271799379868262
Energy: 1.3828558750177236
Energy: 1.7757259452589749
Energy: 1.456506516573762
Energy: 1.448867630275853
Energy: 1.4540323126905235
Energy: 1.4509117435936918
Energy: 1.4263835460701733
Energy: 2.0288437718513737
Energy: 1.480653746147674
Energy: 1.442225093241413
Energy: 1.3537917715654197
Energy: 1.4918119701627166
Energy: 1.3827246333219205
Energy: 1.777072801033411
Energy: 1.469564167403512
Energy: 1.464831770328985
Energy: 1.44682814820079
Energy: 1.4736061772670082
Energy: 1.4295280453456323
Energy: 1.8378331241198094
Energy: 1.473041731145989
Energy: 1.4741951100501716
Energy: 1.449122258445308
Energy: 1.4710962680238178
Energy: 1.4421486439977396
Energy: 1.9707468455926416
Energy: 1.432777244796136
Energy: 1.4313907631846252
Energy: 1.4296147833563548
Energy: 1.3900568743932618
Energy: 1.430324282910747
Energy: 1.838534884055384
Energy: 1.4121702617685978
Energy: 1.4125111977817886
Energy: 1.4685614221546783
Energy: 1.4118082880066196
Energy: 1.4676012146595427
Energy: 1.606809175445147
Energy: 1.4119919201749402
Energy: 1.4127452811852936
Energy: 1.472748702970387
Energy: 1.410935169728666
Energy: 1.4591836036019612
Energy: 1.6058547618610162
Energy: 1.458418856123931
Energy: 1.4518454219923747
Energy: 1.4401152522780336
Energy: 1.4582422493487808
Energy: 1.4659037634271634
Energy: 1.603183063026345
Energy: 1.3205814248052596
Energy: 1.3224677364449884
Energy: 1.4141589839844249
Energy: 1.3249673795656125
Energy: 1.3224009345740084
Energy: 1.4528125290296
Energy: 1.301295737848904
Energy: 1.3018488635577081
Energy: 1.4492098696370468
Energy: 1.3594435295648477
Energy: 1.4244076734188256
Energy: 1.4516967587835494
Energy: 1.4600463079167438
Energy: 1.4590255279524198
Energy: 1.4476318847231946
Energy: 1.4621861361920556
Energy: 1.4312989040062136
Energy: 1.4514912325811549
Energy: 1.37504291001967
Energy: 1.3699025866249666
Energy: 1.4502321217436416
Energy: 1.3740937637820463
Energy: 1.3825908342949575
Energy: 1.5823234733319602
Energy: 1.4669091919148394
Energy: 1.4694314689851253
Energy: 1.4366885617097032
Energy: 1.4610430676156863
Energy: 1.4713686707513327
Energy: 1.5751842985353404
Energy: 1.440387734703825
Energy: 1.2972388163224593
Energy: 1.3217647507627823
Energy: 1.3988110688475996
Energy: 1.4815381284063764
Energy: 1.580250502012697
Energy: 1.4579916087008342
Energy: 1.3414987692246343
Energy: 1.312133004780196
Energy: 1.3456118845275935
Energy: 1.460378554909264
Energy: 1.741745537150947
Energy: 1.476959365390369
Energy: 1.3763127004409352
Energy: 1.4117194963806006
Energy: 1.3794003799084003
Energy: 1.4678619828969701
Energy: 1.7424384743188264
Energy: 1.3890346512342084
Energy: 1.3852920432942861
Energy: 1.4065270022681404
Energy: 1.3908588159601718
Energy: 1.412930912222868
Energy: 1.8373019576044909
Energy: 1.3942555883101275
Energy: 1.3770765486546817
Energy: 1.3798778667763891
Energy: 1.3952969087042693
Energy: 1.358849461433567
Energy: 2.065371462129335
Energy: 1.3050435585462106
Energy: 1.2960150165323898
Energy: 1.286728056922162
Energy: 1.3427639136687246
Energy: 1.3413546968526944

minimum gb energy = 1.262661560696005 eV
minimum distance =  2.27754190290028 Angstroms
sigma value = 51


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

Energy: 2.0747945521020967
Energy: 1.3244673803211588
Energy: 1.3236462247088998
Energy: 1.313419866911915
Energy: 1.285256376645451
Energy: 1.4103272452487734
Energy: 1.7233175222873152
Energy: 1.3683327890306594
Energy: 1.3685406407535707
Energy: 1.335841108773231
Energy: 1.3685379862894136
Energy: 1.3370207403347867
Energy: 1.901621575601614
Energy: 1.3683863722561735
Energy: 1.367767715802301
Energy: 1.342821119670885
Energy: 1.3684070141269886
Energy: 1.3394442133016546
Energy: 1.8971262334229406
Energy: 1.313489342397061
Energy: 1.314181661363216
Energy: 1.3384682172345184
Energy: 1.3139211302729912
Energy: 1.3159094884546316
Energy: 1.6156623515038648
Energy: 1.3943570373512784
Energy: 1.3908524222749163
Energy: 1.3131415726958668
Energy: 1.435143902216068
Energy: 1.3911144956165744
Energy: 1.6172138301627588
Energy: 1.3915681333999832
Energy: 1.3906245648703883
Energy: 1.3660786420982984
Energy: 1.3916922973431745
Energy: 1.3894715038738912
Energy: 1.616550426153697
Energy: 1.2851138391501118
Energy: 1.313975411397944
Energy: 1.3651121155237613
Energy: 1.2847961144893567
Energy: 1.3915609961222475
Energy: 1.6088300281965366
Energy: 1.3074114761201194
Energy: 1.3100919331422107
Energy: 1.3442339775767829
Energy: 1.3089733128159036
Energy: 1.307830436486095
Energy: 1.3685405454433577
Energy: 1.3103114162715632
Energy: 1.3076188837802534
Energy: 1.3686541231826743
Energy: 1.3074008793983634
Energy: 1.3381691200863035
Energy: 1.3690192442047515
Energy: 1.3363475771041544
Energy: 1.367479806434563
Energy: 1.369942417191976
Energy: 1.3367279142110657
Energy: 1.3683897376358174
Energy: 1.3973612209125548
Energy: 1.3317620446555736
Energy: 1.3121431805561128
Energy: 1.336211606446843
Energy: 1.3317743060825642
Energy: 1.3120155017998931
Energy: 1.429685012672392
Energy: 1.33631279659117
Energy: 1.3691924737907892
Energy: 1.3373759296794776
Energy: 1.3560966289604086
Energy: 1.3857944683786656
Energy: 1.4288542325017148
Energy: 1.3368903721832541
Energy: 1.3586773445688596
Energy: 1.3817787749197972
Energy: 1.3662249355161291
Energy: 1.3842424986989084
Energy: 1.429886434105757
Energy: 1.3152740141925017
Energy: 1.3164321478144443
Energy: 1.3393274879659487
Energy: 1.315696387465378
Energy: 1.3176010265428453
Energy: 1.722759184176103
Energy: 1.345857847660277
Energy: 1.3310360852928684
Energy: 1.3525610910564196
Energy: 1.3656785222833152
Energy: 1.3314178050653727
Energy: 1.7237735199513842
Energy: 1.3866772765842403
Energy: 1.3861986625341938
Energy: 1.3072606598995244
Energy: 1.3877606795179491
Energy: 1.30647183944308
Energy: 1.7665902004780267
Energy: 1.3869942986306576
Energy: 1.386532186294315
Energy: 1.3888201328744658
Energy: 1.386442374688482
Energy: 1.386043246810818
Energy: 2.0661887628763704
Energy: 1.3378661593958558
Energy: 1.338774304604332
Energy: 1.3057610602875356
Energy: 1.337466401632956
Energy: 1.3362241961238939

minimum gb energy = 1.2847961144893567 eV
minimum distance =  2.27767379007216 Angstroms
sigma value = 19


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

Energy: 2.0092155996982433
Energy: 1.4877394303931983
Energy: 1.281679379883506
Energy: 1.445101536516582
Energy: 1.294415081240508
Energy: 1.4482408666254796
Energy: 1.4831016812183286
Energy: 1.3432607435420245
Energy: 1.3145701615136118
Energy: 1.3436839253145607
Energy: 1.3431500631487556
Energy: 1.2994369223418547
Energy: 1.51636315176163
Energy: 1.3429147906291492
Energy: 1.3545981124772806
Energy: 1.3960173009574812
Energy: 1.3433284110320527
Energy: 1.3430078196478314
Energy: 1.6659991868001234
Energy: 1.455933780961591
Energy: 1.471760588699769
Energy: 1.46348350777384
Energy: 1.4555615403885351
Energy: 1.4562221775945083
Energy: 1.4365313998875855
Energy: 1.3532902988071687
Energy: 1.36591852706923
Energy: 1.3724126592390065
Energy: 1.4520882362045855
Energy: 1.3735321405551504
Energy: 1.5273378595123144
Energy: 1.4015493565247206
Energy: 1.5224835080018957
Energy: 1.5209538091086836
Energy: 1.4017248753446838
Energy: 1.519168938997821
Energy: 1.507099101554355
Energy: 1.424558135782302
Energy: 1.5064701739729702
Energy: 1.5291355647680274
Energy: 1.424214464123536
Energy: 1.5047653788974455
Energy: 1.6300663371759336
Energy: 1.3118419470035076
Energy: 1.3122782993515023
Energy: 1.5380495863872288
Energy: 1.240113046475312
Energy: 1.2329602726510998
Energy: 1.469110724395927
Energy: 1.311899847135862
Energy: 1.3152733420261675
Energy: 1.469238723179709
Energy: 1.2417854167218851
Energy: 1.2329693073899275
Energy: 1.4699387645989495
Energy: 1.4753903978973544
Energy: 1.439673686845784
Energy: 1.4396607080116743
Energy: 1.427115170769799
Energy: 1.4755645610928254
Energy: 1.4383698116003123
Energy: 1.4632910251943325
Energy: 1.5189705400640647
Energy: 1.4407189574859725
Energy: 1.4618480146373818
Energy: 1.4771468310095333
Energy: 1.6052922274769377
Energy: 1.5291389969406297
Energy: 1.4447513516230523
Energy: 1.4907705949902617
Energy: 1.5325346948826737
Energy: 1.4452489686821424
Energy: 1.401218783572132
Energy: 1.645337014564966
Energy: 1.6430619842504741
Energy: 1.401751472328595
Energy: 1.6491740311393055
Energy: 1.6449360018610513
Energy: 1.6039212817641388
Energy: 1.6373366860886314
Energy: 1.6352585382055054
Energy: 1.5896760728185255
Energy: 1.6222838576198746
Energy: 1.6352326815010996
Energy: 1.2248058607317913
Energy: 1.5976650939304964
Energy: 1.5959194466345368
Energy: 1.2420382333558375
Energy: 1.5974521470802374
Energy: 1.2284316011657241
Energy: 1.781932704550836
Energy: 1.4573847877526123
Energy: 1.2332673839016066
Energy: 1.240555176940311
Energy: 1.6565785701546258
Energy: 1.2418314859484947
Energy: 1.664889980490696
Energy: 1.5981524768559137
Energy: 1.5975896593673888
Energy: 1.609137450007571
Energy: 1.5968108764327404
Energy: 1.595671393584169
Energy: 1.6634817959705173
Energy: 1.5971871037127103
Energy: 1.597821024681561
Energy: 1.4626466787259662
Energy: 1.5955606351016625
Energy: 1.5966986247155173
Energy: 1.6631242421504882
Energy: 1.4496088206126627
Energy: 1.4509109055126375
Energy: 1.4628389828321813
Energy: 1.4460833080755129
Energy: 1.518740645368506
Energy: 1.6349126049184606
Energy: 1.4013237391639999
Energy: 1.5026954125352268
Energy: 1.6576089381735182
Energy: 1.4016173755221415
Energy: 1.658816660871835
Energy: 1.7215759276868923
Energy: 1.5026144378715867
Energy: 1.5076127441182636
Energy: 1.4871486120713189
Energy: 1.6395014524629654
Energy: 1.5111954148658935
Energy: 1.5799909903984322
Energy: 1.4870257847702606
Energy: 1.4882710665275487
Energy: 1.4924657230043423
Energy: 1.5093569395805069
Energy: 1.48897139419997
Energy: 1.5432150703312977
Energy: 1.4405472358574116
Energy: 1.23505429650979
Energy: 1.544512900815943
Energy: 1.295105389648795
Energy: 1.311416785871297
Energy: 1.4838089919604054
Energy: 1.4932637665938693
Energy: 1.4921821145326695
Energy: 1.4840910243598877
Energy: 1.397636856936738
Energy: 1.4810275255316754
Energy: 1.483145406657895
Energy: 1.4915050771541838
Energy: 1.490560925963704
Energy: 1.483314069799116
Energy: 1.5241830330723292
Energy: 1.482847996518357
Energy: 1.6289934270554858
Energy: 1.463155201150993
Energy: 1.4631235001530516
Energy: 1.3059230977713658
Energy: 1.4636513773983477
Energy: 1.326505350929539
Energy: 1.5169608415865723
Energy: 1.508574084936895
Energy: 1.5185384183640571
Energy: 1.2991324285927928
Energy: 1.517501056611756
Energy: 1.3631077408969947
Energy: 1.4011226450744014
Energy: 1.3517644400704176
Energy: 1.3602112092182537
Energy: 1.4013050289122133
Energy: 1.357319467632675
Energy: 1.3575056601535536
Energy: 1.5087490420031386
Energy: 1.3998689406780922
Energy: 1.4010283757267985
Energy: 1.285609631044217
Energy: 1.4008785244225928
Energy: 1.4006261870905097
Energy: 1.375086908758901
Energy: 1.3437113009306918
Energy: 1.2475160996548254
Energy: 1.240200749562442
Energy: 1.314666393805655
Energy: 1.3999913958346617

minimum gb energy = 1.2248058607317913 eV
minimum distance =  2.28857953170217 Angstroms
sigma value = 27


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

Energy: 1.5117741504289022
Energy: 1.4853539866281262
Energy: 1.6861424187628866
Energy: 1.2999004692553695
Energy: 1.2959335127912683
Energy: 1.7231470050980193
Energy: 1.3459325238118551
Energy: 1.2988003760723297
Energy: 1.2988892822236306
Energy: 1.1866427208507648
Energy: 1.2986422254554508
Energy: 1.154019719224853
Energy: 1.3611694074276044
Energy: 1.2953402459931629
Energy: 1.2963307648245732
Energy: 1.1537520822985101
Energy: 1.294343968983062
Energy: 1.2076914833073584
Energy: 1.1996284944191273
Energy: 1.2681377418096516
Energy: 1.2625020325557839
Energy: 1.186295913532554
Energy: 1.2389196547778119
Energy: 1.1866842929169015
Energy: 1.4982202635179718
Energy: 1.1551185829296882
Energy: 1.184323370032211
Energy: 1.2953235723611158
Energy: 1.156441528725004
Energy: 1.1844441184179098
Energy: 1.2925909820913328
Energy: 1.1547816872404322
Energy: 1.1546380397198408
Energy: 1.2927709063435837
Energy: 1.1533966158148128
Energy: 1.1548392560092828
Energy: 1.2987953154800145
Energy: 1.1853162500989125
Energy: 1.2075126082893353
Energy: 1.2990984347020837
Energy: 1.1871374140767152
Energy: 1.2053618312736691
Energy: 1.2993521439725835
Energy: 1.1792191943596684
Energy: 1.1801481834538738
Energy: 1.299264619371864
Energy: 1.179210171010459
Energy: 1.1805887638817212
Energy: 1.3615265576017381
Energy: 1.18017190612099
Energy: 1.1541528609313025
Energy: 1.298907735298564
Energy: 1.2175713259068495
Energy: 1.2061345740697325
Energy: 1.1976226050700158
Energy: 1.2373183373362822
Energy: 1.2364875729985803
Energy: 1.265477139236239
Energy: 1.1863357119394595
Energy: 1.2373881342595403
Energy: 1.3613445204614159
Energy: 1.2684776781799099
Energy: 1.2710652847372934
Energy: 1.206238402659536
Energy: 1.2694983473133787
Energy: 1.264086391414486
Energy: 1.3459325242779503
Energy: 1.2066902943719882
Energy: 1.2054371957054504
Energy: 1.18733364854921
Energy: 1.2990939867158477
Energy: 1.1548221459342147

minimum gb energy = 1.1533966158148128 eV
minimum distance =  2.3397583021816 Angstroms
sigma value = 9


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

Energy: 2.3751383827520285
Energy: 1.4960776514457266
Energy: 1.0788607821770977
Energy: 1.2081830483500517
Energy: 1.3948895158983357
Energy: 1.1154740894557713
Energy: 1.064673449344181
Energy: 1.1164724771033094
Energy: 1.0984142250584021
Energy: 1.0821864978960016
Energy: 1.1160116971268788
Energy: 1.075686793964021
Energy: 1.1559314361817528
Energy: 1.1167701615865984
Energy: 1.0993636897407877
Energy: 1.113354609359199
Energy: 1.1173386212549696
Energy: 1.1008204077359078
Energy: 1.1555896090812785
Energy: 1.0700959373242935
Energy: 1.0537683548622623
Energy: 1.0916376401608956
Energy: 1.1245561632209335
Energy: 1.0543320002808225
Energy: 1.2376985755089644
Energy: 1.0914275559833118
Energy: 1.1552591724442107
Energy: 1.1285264549457814
Energy: 1.0911279679316266
Energy: 1.1070135174724731
Energy: 1.1477152330510398
Energy: 1.0631350614199913
Energy: 1.1498063224778334
Energy: 1.1478264622123522
Energy: 1.0706146544924278
Energy: 1.0894633571186283
Energy: 1.1480889426219907
Energy: 1.054723638007174
Energy: 1.054055891605078
Energy: 1.1493396713101713
Energy: 1.0902426855034781
Energy: 1.1477347148576162
Energy: 1.1477812486093995
Energy: 1.0875226691936168
Energy: 1.054604596449092
Energy: 1.1473262890024383
Energy: 1.0865186902693604
Energy: 1.109669896797004
Energy: 1.3458977693457157
Energy: 1.1194473500647228
Energy: 1.1556623480178183
Energy: 1.1519848887366402
Energy: 1.118161426491082
Energy: 1.1277783459988366
Energy: 1.072293658145019
Energy: 1.095356130282417
Energy: 1.0546648593594803
Energy: 1.0670698613159686
Energy: 1.1267323722296148
Energy: 1.066042809436567
Energy: 1.0636929821105423
Energy: 1.147207419313374
Energy: 1.152475203170443
Energy: 1.0996095542490547
Energy: 1.146740922284272
Energy: 1.1025506957604705
Energy: 1.3695610282306532
Energy: 1.1468613939523291
Energy: 1.1469818636472402
Energy: 1.0721888566536562
Energy: 1.147166735080939
Energy: 1.1066417600770309
Energy: 2.0904383150706196
Energy: 1.2920183104101743
Energy: 1.0623867868976542
Energy: 1.1221467913672014
Energy: 1.1493721223752824
Energy: 1.1721879996246884
Energy: 1.3659881736789872
Energy: 1.1482707831976282
Energy: 1.1064104441801845
Energy: 1.0701981508795575
Energy: 1.147347239031265
Energy: 1.1079179256347729
Energy: 1.116652444836319
Energy: 1.105272239113811
Energy: 1.1059431285088068
Energy: 1.1169005764577058
Energy: 1.1097815144650824
Energy: 1.1173663971116872
Energy: 1.1167307566548348
Energy: 1.0771115058491683
Energy: 1.1023490223080452
Energy: 1.118883323145227
Energy: 1.1111628390264168
Energy: 1.121784775031334
Energy: 1.1142338870164947
Energy: 1.0685375611756138
Energy: 1.1006447072502612
Energy: 1.1142862097206678
Energy: 1.0683915991048045
Energy: 1.0875989252387903
Energy: 1.1553251333533887
Energy: 1.0825126969008654
Energy: 1.0815774154596718
Energy: 1.1159507622840454
Energy: 1.0918731214469857
Energy: 1.098413106575737
Energy: 1.156309498998107
Energy: 1.0764423629257736
Energy: 1.0740582567948807
Energy: 1.1153771867926046
Energy: 1.0781321444375433
Energy: 1.0721775920757362
Energy: 1.1548079747480258
Energy: 1.0906188619001949
Energy: 1.0740572500077326
Energy: 1.0923481923507563
Energy: 1.089399910463379
Energy: 1.0833278333471694
Energy: 1.156461080239479
Energy: 1.1190188763327091
Energy: 1.0912528086141515
Energy: 1.1153616938165738
Energy: 1.0930449565967535
Energy: 1.079991269168061
Energy: 1.230616884377867
Energy: 1.117081096205785
Energy: 1.1532456167459813
Energy: 1.09320552340663
Energy: 1.1173304677946732
Energy: 1.0264309898899604
Energy: 1.2267130232922852
Energy: 1.1156873107569532
Energy: 1.1090107772249074
Energy: 1.0928246155259156
Energy: 1.1154456582502892
Energy: 1.030097913972105
Energy: 1.156032706079943
Energy: 1.1170232108468516
Energy: 1.1161175265974308
Energy: 1.128868803074505
Energy: 1.1169673879360764
Energy: 1.1029614751343935
Energy: 1.523984397456731
Energy: 1.0683207973087967
Energy: 1.1125530898846652
Energy: 1.0975078402275118
Energy: 1.1162683654728762
Energy: 1.1168425889114195
Energy: 1.1543240288482322
Energy: 1.071202629386845
Energy: 1.0543123380448371
Energy: 1.1493589958346002
Energy: 1.071691108658255
Energy: 1.1066589205981403
Energy: 1.07785704152302
Energy: 1.1205594356779467
Energy: 1.1568503754886792
Energy: 1.0785480144727766
Energy: 1.1257088429030337
Energy: 1.0664543816848917
Energy: 1.1473470356403033
Energy: 1.0541491935264333
Energy: 1.0561289336866544
Energy: 1.1472252619750314
Energy: 1.0717699968508556
Energy: 1.1086867357520616
Energy: 1.1472568856673586
Energy: 1.0965418449308961
Energy: 1.1556877378013113
Energy: 1.147174869247947
Energy: 1.0963367950250134
Energy: 1.159070143199942
Energy: 1.1340764865039188
Energy: 1.0879152760155242
Energy: 1.0544813524422072
Energy: 1.1406856606084805
Energy: 1.0861749141164678
Energy: 1.0534130739639043
Energy: 1.0635639578809453
Energy: 1.0972817614764077
Energy: 1.124506147721356
Energy: 1.0984747181544234
Energy: 1.1187990985298066
Energy: 1.154039295085092
Energy: 1.0705641072439704
Energy: 1.16274453787214
Energy: 1.1093773204987623
Energy: 1.0684553377527326
Energy: 1.147971622258399
Energy: 1.0653148640059724
Energy: 1.3668169122648492
Energy: 1.1478530809743037
Energy: 1.1472218568629335
Energy: 1.1274145356522873
Energy: 1.1500374016492085
Energy: 1.0539318327056197
Energy: 1.1517795081184623
Energy: 1.1480832367646874
Energy: 1.1479289401945365
Energy: 1.0920435495645502
Energy: 1.147892550433168
Energy: 1.0519695761746144
Energy: 1.1469794477845452
Energy: 1.1294324903785082
Energy: 1.1105052633002293
Energy: 1.096621162841687
Energy: 1.1473569023698993
Energy: 1.1047821027774376
Energy: 1.1511578886550042
Energy: 1.103376756860506
Energy: 1.075851375050009
Energy: 1.139520510134807
Energy: 1.1003569777383837
Energy: 1.0592394026307381
Energy: 1.1166329901494532
Energy: 1.1099837576103264
Energy: 1.1047906890024437
Energy: 1.1178467470938518
Energy: 1.1069364561985642
Energy: 1.1066297169405155
Energy: 1.1146822352543566
Energy: 1.0743541279456281
Energy: 1.0761757991858816
Energy: 1.1146647595137291
Energy: 1.074657778650706
Energy: 1.0718091261412181
Energy: 1.1575208750221047
Energy: 1.0651139125200468
Energy: 1.0597945113871707
Energy: 1.1580742741402261
Energy: 1.0648811158685851
Energy: 1.2485255375749393
Energy: 1.1550287390946006
Energy: 1.0740394549907721
Energy: 1.0741669672892677
Energy: 1.1149546135805237
Energy: 1.0743061232022733
Energy: 1.0842157078765784
Energy: 1.15392785596338
Energy: 1.0760542869658285
Energy: 1.08348409361007
Energy: 1.0914111522361758
Energy: 1.0920580996984788
Energy: 1.0775304293219543
Energy: 1.1567731075955379
Energy: 1.0951755965370014
Energy: 1.0998370237200208
Energy: 1.1219933767669799
Energy: 1.0935784051745774
Energy: 1.0896377145156957
Energy: 1.2266848993357407
Energy: 1.115789879800332
Energy: 1.1080050109138964
Energy: 1.092831499234899
Energy: 1.1154795007739797
Energy: 1.0295530212610045

minimum gb energy = 1.0264309898899604 eV
minimum distance =  2.30497548980402 Angstroms
sigma value = 57


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

Energy: 0.5547656049232189
Energy: 0.576472577442488
Energy: 0.5707106843705024
Energy: 0.5561054383025908
Energy: 0.6249319008444895
Energy: 0.5576875407475964
Energy: 0.5560785126515542
Energy: 0.5871402189337696
Energy: 0.5885142877593927
Energy: 0.6210910593298232
Energy: 0.6253135146572576
Energy: 0.5997187684411401
Energy: 0.6930197811384345
Energy: 0.6280286279990298
Energy: 0.5909504165343586
Energy: 0.6242290739765325
Energy: 0.6272015812893883
Energy: 0.5893015726500181
Energy: 0.6934157858305896
Energy: 0.6292878966834208
Energy: 0.6367174856903541
Energy: 0.6260309548808938
Energy: 0.6860899684213343
Energy: 0.5890831471008577
Energy: 0.6870297036882191
Energy: 0.5584325382244736
Energy: 0.5908566115716507
Energy: 0.6901320155159694
Energy: 0.5566260343420679
Energy: 0.5891135433026082
Energy: 0.6273322813370273
Energy: 0.5572165739424803
Energy: 0.5587777400202426
Energy: 0.5870050181235792
Energy: 0.556470492308309
Energy: 0.5877971439857315
Energy: 0.619014572735402
Energy: 0.5863791371500402
Energy: 0.5884739617395349
Energy: 0.6199699102204973
Energy: 0.5834378319114727
Energy: 0.6010664768386459
Energy: 0.6279736831345941
Energy: 0.5900790221586689
Energy: 0.6285244815445905
Energy: 0.6281098330546091
Energy: 0.5884636318599066
Energy: 0.5904319518874396
Energy: 0.6861759620728749
Energy: 0.6302052403470136
Energy: 0.6040411100868238
Energy: 0.6264641404711958
Energy: 0.6230249991109085
Energy: 0.5889275160427122
Energy: 0.5558876098571268
Energy: 0.6520944429639093
Energy: 0.5592842591125056
Energy: 0.5562276448649377
Energy: 0.6226860627404023
Energy: 0.5881952816194375
Energy: 0.555913862181295
Energy: 0.5877787604857078
Energy: 0.588834434827641
Energy: 0.5562086621306321
Energy: 0.5842847417475621
Energy: 0.591141239027888
Energy: 0.6891415280020415
Energy: 0.6274012210701667
Energy: 0.592019004487604
Energy: 0.6221562978346555
Energy: 0.6240157256709197
Energy: 0.6018218381836341
Energy: 0.694329956346431
Energy: 0.6945751258550733
Energy: 0.6857748652579783
Energy: 0.6277929952700473
Energy: 0.6935146363203264
Energy: 0.685833682045023
Energy: 0.6874449324229085
Energy: 0.6264800639527214
Energy: 0.5912457977227822
Energy: 0.6246441965435587
Energy: 0.6231420040787651
Energy: 0.589435629761501
Energy: 0.6933715241652123
Energy: 0.5569239809333735
Energy: 0.5575627290811406
Energy: 0.6259888808186493
Energy: 0.5586283826098756
Energy: 0.5588264258744129
Energy: 0.6230821303117008
Energy: 0.5884880747689752
Energy: 0.600655969231176
Energy: 0.6242063185563128
Energy: 0.5570999091550443
Energy: 0.5895262052735522
Energy: 0.6262015041595727
Energy: 0.6067918420306669
Energy: 0.6050426411076334
Energy: 0.6266547505652176
Energy: 0.6250576305392156
Energy: 0.5892651885619996
Energy: 0.6913750174681277
Energy: 0.590054207125978
Energy: 0.5919193867212458
Energy: 0.6921386521763216
Energy: 0.5897005172031562
Energy: 0.5897556211417893
Energy: 0.5559367564918751
Energy: 0.5877235594299306
Energy: 0.588788365140636
Energy: 0.5562535982361149
Energy: 0.6353703664038646
Energy: 0.5907601655428625

minimum gb energy = 0.5547656049232189 eV
minimum distance =  2.34504948010848 Angstroms
sigma value = 11


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

Energy: 1.8789829573098829
Energy: 0.8748763348381089
Energy: 1.102596191696749
Energy: 0.9417763537166739
Energy: 1.0606441533825035
Energy: 1.1026153647868118
Energy: 0.8953440698574989
Energy: 0.9227281640348901
Energy: 0.8905084427672851
Energy: 0.894894522082831
Energy: 0.8795155973272507
Energy: 0.8797276748004645
Energy: 0.883048346954631
Energy: 0.8833194706043613
Energy: 0.881513322808842
Energy: 0.8844935382989788
Energy: 0.882624645457715
Energy: 0.8814903987206107
Energy: 0.881742230281281
Energy: 0.9113404810296816
Energy: 0.8914988025117528
Energy: 0.8828292182987785
Energy: 0.8818659625143278
Energy: 0.8819094961254766
Energy: 0.8738401323769928
Energy: 0.9872746062423147
Energy: 0.9649204463644233
Energy: 0.8757970269434321
Energy: 0.8985518701519378
Energy: 0.887738674727023
Energy: 0.9362439981351748
Energy: 0.9860412496094406
Energy: 0.9104968606064389
Energy: 0.8778314581381267
Energy: 0.9036035347563148
Energy: 0.9597799674293556
Energy: 0.9395029889853956
Energy: 0.8877961743047569
Energy: 0.8826565323420605
Energy: 0.8765072116947985
Energy: 0.8968597108941387
Energy: 0.8831559954602324
Energy: 0.8964522565068944
Energy: 0.9085332060619545
Energy: 0.9079871555822667
Energy: 0.9046999896311337
Energy: 0.9089108557443444
Energy: 0.9140993134597437
Energy: 0.9395905019855935
Energy: 0.9012564082760288
Energy: 0.8796993234563704
Energy: 0.9189697213495682
Energy: 0.8803781961384319
Energy: 0.8895019562168535
Energy: 1.5944946020579611
Energy: 0.9927134790276686
Energy: 0.961494590335287
Energy: 1.103672821473938
Energy: 0.8795377680476065
Energy: 0.9774730141893951
Energy: 1.3134969866543187
Energy: 0.9760035086796617
Energy: 0.9622104066239937
Energy: 0.9096214557877562
Energy: 0.9853304855262682
Energy: 0.9651179848190491
Energy: 1.096353886194231
Energy: 0.8623977361679838
Energy: 0.8778007057033563
Energy: 1.098961960426654
Energy: 0.8584689288660755
Energy: 0.9000195626145254
Energy: 1.0550129519179812
Energy: 0.8536074010994368
Energy: 0.9250174795426078
Energy: 1.0553487333679343
Energy: 0.862397740294715
Energy: 0.8968087792502442
Energy: 1.0540889414836618
Energy: 1.06126588584026
Energy: 1.06038262008527
Energy: 1.054328032400529
Energy: 0.9740116142410021
Energy: 1.0585607017393126
Energy: 1.0541908272128167
Energy: 1.3184551746807898
Energy: 0.9440505200921364
Energy: 1.0550469549706532
Energy: 1.408084190605449
Energy: 0.9799371434823951
Energy: 1.3048372650583346
Energy: 1.060691814462134
Energy: 1.057392701854485
Energy: 0.9885922440495818
Energy: 0.9797541966631873
Energy: 1.058332276043693
Energy: 1.3650851289246857
Energy: 0.9988495074482756
Energy: 0.8822219335433841
Energy: 1.2823993188473213
Energy: 1.2015248738487065
Energy: 0.8814411350695985
Energy: 1.6571875995462735
Energy: 0.9777255617254972
Energy: 0.9656704914639525
Energy: 0.9044922197653035
Energy: 0.9745299955469582
Energy: 1.0542971844238247
Energy: 1.316429266470224
Energy: 0.9007270691470115
Energy: 0.8853391031282354
Energy: 0.8805865728692527
Energy: 0.9108614309876093
Energy: 0.8935851773874139
Energy: 1.1306440313557804
Energy: 1.0877800661813244
Energy: 0.8940492155562934
Energy: 1.0994480990932967
Energy: 1.0563895284613891
Energy: 0.9005059500936126
Energy: 1.3047853291308666
Energy: 0.9878064205500999
Energy: 0.9669531320708402
Energy: 0.9599967310261791
Energy: 1.0567159619123396
Energy: 0.9635290316471737
Energy: 1.2463564190888494
Energy: 1.2384979929018805
Energy: 0.9267436621659846
Energy: 1.246891179668223
Energy: 1.114645982147111
Energy: 1.068570371885315
Energy: 0.8801582860281086
Energy: 0.9820158845067145
Energy: 0.96888323018159
Energy: 0.880625633419871
Energy: 0.897008523855548
Energy: 0.967053913916116
Energy: 0.8794730466865115
Energy: 0.883876486304359
Energy: 0.8967071259210327
Energy: 0.8799339884314515
Energy: 0.8885119137602221
Energy: 0.8838616226811208
Energy: 1.0321166125130226
Energy: 0.8861493977130133
Energy: 0.8836855137247267
Energy: 0.8856952398024531
Energy: 0.8818711133391777
Energy: 0.8909117395400785
Energy: 0.9804397552481349
Energy: 0.8822922181496665
Energy: 0.8871304782783087
Energy: 0.9110016820490637
Energy: 0.9052821269050997
Energy: 0.85250040158441

minimum gb energy = 0.85250040158441 eV
minimum distance =  2.31794117675196 Angstroms
sigma value = 41


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

Energy: 1.9230474683031071
Energy: 1.1654568733189339
Energy: 1.1976739540990746
Energy: 1.1023846195308467
Energy: 1.10011436796195
Energy: 1.1928398946583672
Energy: 1.0517894336564557
Energy: 0.9876366583527442
Energy: 0.9662710861634964
Energy: 0.982565073727584
Energy: 0.9348158465412049
Energy: 0.9664314356156137
Energy: 1.1039749296924282
Energy: 1.1191204026859238
Energy: 0.9356513869281197
Energy: 1.121766064495509
Energy: 0.9345986399472137
Energy: 1.1054362878230424
Energy: 1.114844692409197
Energy: 0.9785513177653392
Energy: 1.1173093950368647
Energy: 1.1210933945792183
Energy: 0.9398732704671215
Energy: 1.1056431139188787
Energy: 1.1027206029607777
Energy: 1.0830764229452425
Energy: 1.063363796862284
Energy: 1.1189338754103697
Energy: 1.0534461957679098
Energy: 0.9331855059295341
Energy: 1.3723793726864533
Energy: 1.068601154553075
Energy: 1.0555526842255687
Energy: 1.2006825413630706
Energy: 1.0472792490014362
Energy: 1.0760365678075066
Energy: 1.217083008598784
Energy: 1.105347813539682
Energy: 0.94125838703439
Energy: 1.1476765096437722
Energy: 0.9797681405333127
Energy: 1.1296976272492676
Energy: 1.0868765129376337
Energy: 1.21448599630478
Energy: 1.1738898188608728
Energy: 1.0484169601283464
Energy: 1.213996981539125
Energy: 1.0580694956089545
Energy: 1.3717374815730965
Energy: 1.148897326919872
Energy: 0.9344143598021027
Energy: 0.9888416830617293
Energy: 1.1524096915876285
Energy: 1.153659292359973
Energy: 1.45350188418108
Energy: 1.2013194922786812
Energy: 1.1186816257520147
Energy: 1.3142435344462007
Energy: 1.1714855320859836
Energy: 1.1331341824690169
Energy: 1.1519297632000618
Energy: 1.1439412439494296
Energy: 1.1208690436935107
Energy: 1.0484433776917241
Energy: 1.199800317626058
Energy: 1.1224300073467144
Energy: 1.6240307183244875
Energy: 1.0220295252315066
Energy: 1.0214091284566633
Energy: 1.1559411230420613
Energy: 1.0209799831594693
Energy: 1.1419761147093512
Energy: 1.2081636883238407
Energy: 1.0212387527326476
Energy: 1.021819068866333
Energy: 1.2084729413687891
Energy: 1.0206458345936646
Energy: 1.0797180004861577
Energy: 1.1351296361442722
Energy: 1.1237821748260646
Energy: 1.0994076692810222
Energy: 1.136361460506599
Energy: 1.1224820436261813
Energy: 1.1480924430145216
Energy: 1.195216589216053
Energy: 1.2208434863514839
Energy: 1.1913792884933827
Energy: 1.1953745126533981
Energy: 1.1438149905768757
Energy: 1.1956853904115186
Energy: 1.1321555342322227
Energy: 1.1432297239565987
Energy: 1.124655085802563
Energy: 1.154202841961855
Energy: 1.118279246396482
Energy: 1.1317585432556037
Energy: 1.7091478193836007
Energy: 1.1273740800651613
Energy: 0.9628325293654886
Energy: 1.47336278972857
Energy: 1.1155167218530178
Energy: 1.0047035097010506
Energy: 0.9788983460788433
Energy: 1.125021525671329
Energy: 1.1018729005870354
Energy: 0.9759804230467053
Energy: 1.1158725984800213
Energy: 0.911448092361478
Energy: 1.1270981481877993
Energy: 1.1175922989277958
Energy: 1.122235432834175
Energy: 1.1277182259223595
Energy: 1.1174566052634587
Energy: 1.1259046296156554
Energy: 1.125692471255513
Energy: 1.1270631173559365
Energy: 1.1246044811484794
Energy: 1.127134874700676
Energy: 1.1185488195254165
Energy: 1.1229284947212153
Energy: 1.1250318996386601
Energy: 1.1009629164549517
Energy: 1.1260273014261823
Energy: 1.125707526787619
Energy: 1.1030179450323843
Energy: 1.1468481933200467
Energy: 1.5145075630432812
Energy: 1.3201067126306099
Energy: 1.305878628674621
Energy: 1.1985882392804272
Energy: 1.3046305232595674
Energy: 1.117605770862223
Energy: 1.37292941598339
Energy: 1.1201707528424627
Energy: 1.1359194187631083
Energy: 1.1565705107374977
Energy: 1.1773287507008643
Energy: 1.151114580957957
Energy: 1.0869406959780117
Energy: 1.2225973484605652
Energy: 1.116591199773135
Energy: 1.073707452885543
Energy: 1.220892906376602
Energy: 1.0429340605399804
Energy: 1.3727606254470615
Energy: 1.1092276292405367
Energy: 1.1461141010068903
Energy: 1.1499018832211827
Energy: 1.1734784389071913
Energy: 1.1062404108792487
Energy: 1.4530754677037778
Energy: 1.1408528712016979
Energy: 1.1234371938622854
Energy: 1.047789508994585
Energy: 1.1974720593854438
Energy: 1.1305631128593552
Energy: 1.4532013982380334
Energy: 0.9806710595991325
Energy: 0.9794359056459723
Energy: 1.333710061283787
Energy: 0.9899992317929942
Energy: 1.145777276505598
Energy: 1.372808513450774
Energy: 1.0438111266564214
Energy: 0.9814949404069857
Energy: 1.0058275980303897
Energy: 1.0203051291904481
Energy: 1.1337015516004567
Energy: 1.113099438278715
Energy: 1.090632180732014
Energy: 1.093328870245379
Energy: 1.1144469076384917
Energy: 1.4212328286443336
Energy: 1.0948734196209187
Energy: 1.2679202844302035
Energy: 0.9487213172459459
Energy: 1.1522966360935598
Energy: 1.284970937480947
Energy: 0.9793163142661123
Energy: 0.9821516639405317
Energy: 1.1174085899943884
Energy: 1.1326720267068189
Energy: 1.122493098979948
Energy: 1.1284817598438415
Energy: 0.9835991037022045
Energy: 1.109812094607268
Energy: 1.1060336770817982
Energy: 0.9410170031804609
Energy: 0.9341225764993406
Energy: 0.9777441730647215
Energy: 0.9359432746427767
Energy: 1.1300790865343866
Energy: 1.8144024839964066
Energy: 0.977411179371954
Energy: 0.9109404727484386
Energy: 0.91686383719302
Energy: 0.9369911496821366
Energy: 1.067612033389359

minimum gb energy = 0.9109404727484386 eV
minimum distance =  2.30517176904584 Angstroms
sigma value = 33


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

Energy: 1.3033991427197689
Energy: 1.208658815027509
Energy: 1.2088459077161122
Energy: 1.0283861395618055
Energy: 1.1023843527785477
Energy: 1.2088052365812496
Energy: 1.0782500999649818
Energy: 1.0114724322177695
Energy: 1.04284983457125
Energy: 1.0515222697392435
Energy: 1.0307151669984191
Energy: 1.0116288496909713
Energy: 1.0304400388529065
Energy: 1.011337421049149
Energy: 1.0085306112630052
Energy: 1.0403501497676553
Energy: 1.0109312238038173
Energy: 1.0123783900538195
Energy: 1.0324127074234564
Energy: 1.03981303536205
Energy: 1.0088697336448216
Energy: 1.0280079053316398
Energy: 1.0096415086729047
Energy: 1.0086398696890277
Energy: 1.0266715286905321
Energy: 1.0200091011468335
Energy: 0.9856523326440011
Energy: 1.0275821347986498
Energy: 1.053639700759499
Energy: 1.0068168772966313
Energy: 1.134551054440167
Energy: 0.9868863352156642
Energy: 1.0187100984438948
Energy: 1.104511770645272
Energy: 0.9844856836437769
Energy: 1.0192235383068389
Energy: 1.0788337714575982
Energy: 0.9888645273580283
Energy: 1.0122626328865205
Energy: 1.0294076860740455
Energy: 1.0229977901770455
Energy: 1.0197415577998714
Energy: 1.0713835581334854
Energy: 1.1143198543403698
Energy: 1.0290347081253859
Energy: 0.9845844789549671
Energy: 1.1141429788499553
Energy: 1.0251600135554744
Energy: 1.0831220661594572
Energy: 0.9830057429826099
Energy: 1.023402955774664
Energy: 1.1211470993836257
Energy: 0.9871257761026893
Energy: 0.9908544514139102
Energy: 1.5813026471949951
Energy: 1.0071492871030705
Energy: 1.0083281290372834
Energy: 1.0106831842480937
Energy: 1.0468205315557606
Energy: 1.008556959188638
Energy: 1.160432656309022
Energy: 0.9902587198327663
Energy: 1.0135422748451508
Energy: 1.027769971958765
Energy: 1.0196675517136826
Energy: 1.0161834205722473
Energy: 1.0802004407518004
Energy: 0.9816610039903574
Energy: 0.9805242616234441
Energy: 1.0261075687965406
Energy: 0.9810794774652869
Energy: 0.9813458601489873
Energy: 1.1020233756936149
Energy: 0.9821967239236498
Energy: 0.9806879435620685
Energy: 1.1030678488051475
Energy: 0.9812785876033439
Energy: 0.9792956737372416
Energy: 1.0425424786974522
Energy: 1.034397127551866
Energy: 1.0099397637118515
Energy: 1.0440457250669752
Energy: 1.0725193916878595
Energy: 1.0175488479287609
Energy: 0.9798294024957329
Energy: 1.00904269935067
Energy: 1.0080560583730724
Energy: 1.0102440104431603
Energy: 1.0106603237186962
Energy: 1.0099315614375564
Energy: 1.034588730283109
Energy: 1.0365815095990767
Energy: 1.0120752487262956
Energy: 1.0827142837698274
Energy: 1.038686346082607
Energy: 1.011536467476752
Energy: 1.5762766170674887
Energy: 1.0578469271284812
Energy: 1.025362587694058
Energy: 1.3834285911303403
Energy: 1.1052786076185472
Energy: 1.015369958789246
Energy: 1.0831149591862448
Energy: 1.0862349298415221
Energy: 0.9855057655432954
Energy: 1.0669613788543837
Energy: 1.0877493881204034
Energy: 0.9850664910158844
Energy: 1.0275156852622505
Energy: 0.9839345105132076
Energy: 0.9807439458236877
Energy: 1.0494268399556366
Energy: 1.0683614839309374
Energy: 1.0096260253214728
Energy: 0.9843757541502449
Energy: 0.9822282039061712
Energy: 0.982704836346357
Energy: 0.9845337590841902
Energy: 1.0685948913067322
Energy: 1.0085623402592556
Energy: 0.9839046021925483
Energy: 1.0418557279549001
Energy: 0.9886271017210521
Energy: 0.9843740504018089
Energy: 1.0832532536523036
Energy: 0.9899897252923757
Energy: 1.1182109613513411
Energy: 1.008808674116913
Energy: 1.0087596199659055
Energy: 1.1237156595909263
Energy: 1.0149991136590042
Energy: 1.1198640978859036
Energy: 1.0265574044695338
Energy: 1.0400324109864403
Energy: 1.0148706156002918
Energy: 0.9833093126952483
Energy: 1.070459293620201
Energy: 0.9857563913164074
Energy: 1.080408133708722
Energy: 1.0007977707760054
Energy: 0.979585454723012
Energy: 0.9811092425742599
Energy: 1.1268015102965623
Energy: 0.9811171816332867
Energy: 1.0753531780190348
Energy: 1.0360323793074886
Energy: 1.0701788778853671
Energy: 1.0403653369702655
Energy: 1.0300152892948125
Energy: 1.0089202955573693
Energy: 1.027492933490073
Energy: 1.0103023891410614
Energy: 1.0122851681716312
Energy: 1.0285901373977384
Energy: 1.0094388084155517
Energy: 1.0094153097335834
Energy: 1.029567558729544
Energy: 1.0109310379435676
Energy: 1.0396918010916307
Energy: 1.0285756000511745
Energy: 1.0348254105887302
Energy: 1.013371298001746
Energy: 1.0296476551093965
Energy: 1.0232976232999982
Energy: 1.0104564140971088
Energy: 1.0306300936108646
Energy: 1.0481257835266513
Energy: 1.0080907320217227
Energy: 1.1227279556586036
Energy: 1.0165116456131094
Energy: 1.011946023482798
Energy: 1.1231949683409526
Energy: 1.3841147335770096
Energy: 1.0125399010728722
Energy: 1.08148023252296
Energy: 1.0220281847489232
Energy: 0.9903798793385733
Energy: 1.0295624294107373
Energy: 1.0245112013885567
Energy: 1.014469180799093
Energy: 1.0718632820692613
Energy: 1.117273212664196
Energy: 1.0283287690405016
Energy: 0.9831304857673635
Energy: 1.1155428063020947
Energy: 1.0254920809179868
Energy: 1.0849366008361376
Energy: 1.0222977536960993
Energy: 1.022071624872514
Energy: 1.08613299508667
Energy: 0.9889464418551115
Energy: 0.9901863617674009
Energy: 1.1601697661780621
Energy: 1.0095638330624717
Energy: 1.0091392564412829
Energy: 1.0338344590564448
Energy: 1.0343098096007195
Energy: 1.0076783554523374
Energy: 1.1603095769618283
Energy: 0.9902949199905923
Energy: 1.008819963054624
Energy: 1.027544677721758
Energy: 1.0193111876156344
Energy: 1.0075818596627337
Energy: 1.0786553040731994
Energy: 1.0185477724623853
Energy: 0.9807004517659718
Energy: 1.063219137077648
Energy: 1.0169113327304276
Energy: 1.083173751117871
Energy: 1.1045004606150846
Energy: 0.981040445261976
Energy: 0.9812124187360323
Energy: 1.105105595640734
Energy: 0.9820188268495359
Energy: 0.9811334187481441
Energy: 1.0371169482606102
Energy: 1.0444919302166509
Energy: 1.0144876517180037
Energy: 1.0384696663132538
Energy: 1.0360495527239564
Energy: 1.0133342494859787
Energy: 1.08643105146663
Energy: 1.0091855079211958
Energy: 1.0097702865283051
Energy: 1.0882551736550163
Energy: 1.0097678999396824
Energy: 1.0096240960239269
Energy: 1.0378756534722884
Energy: 1.0431818739571377
Energy: 1.01687028589777
Energy: 1.040765062561246
Energy: 1.0437374090496945
Energy: 1.0164935787018545
Energy: 1.5757234402948648
Energy: 1.0597518537532586
Energy: 1.0368342414302014
Energy: 1.0412878167341373
Energy: 1.036952975646991
Energy: 0.9910425304108111
Energy: 1.0813439027027005
Energy: 1.0583160698832828
Energy: 0.9847568958223785
Energy: 1.0346161472191613
Energy: 1.0888932252415422
Energy: 0.9839231936892433
Energy: 1.0327325160572876
Energy: 0.9868784526260561
Energy: 0.9792695838659925
Energy: 1.0478929403120094
Energy: 1.079647881567411
Energy: 1.010644021579494
Energy: 1.0437807584714602
Energy: 0.9822600292157475
Energy: 0.9811026318435586
Energy: 1.0449045492154199
Energy: 0.9909838631691649
Energy: 0.9836125910618948
Energy: 0.9849534211367977
Energy: 1.0835205895266475
Energy: 0.9918457580354905
Energy: 0.9861425066453434
Energy: 1.0835988937385213
Energy: 1.0229877899101891
Energy: 1.1140615072117361
Energy: 1.0093670176349963
Energy: 1.0630479772706263
Energy: 1.1143422513294785
Energy: 1.009531804962222
Energy: 1.0648801568757358
Energy: 1.0275348951695025
Energy: 1.0415916092402115
Energy: 1.0190426385505742
Energy: 1.0554139192278995
Energy: 1.0304741741866552
Energy: 1.036140804378189
Energy: 2.0827044914993365
Energy: 1.041350897826201
Energy: 0.9825720371099137
Energy: 0.9808522174391863
Energy: 1.1280265018965985
Energy: 0.98081544750564

minimum gb energy = 0.9792695838659925 eV
minimum distance =  2.32034307428728 Angstroms
sigma value = 67


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

Energy: 1.5479136060944119
Energy: 1.1244982833877104
Energy: 1.123839178225172
Energy: 1.1268293495830162
Energy: 1.1307260670580037
Energy: 1.1232767748386452
Energy: 1.1616345164596713
Energy: 1.0807582306516201
Energy: 1.0801038573517079
Energy: 1.081665167002658
Energy: 1.0865993616776024
Energy: 1.0797488183448358
Energy: 1.10175016866301
Energy: 1.0406392388051962
Energy: 1.0696747987466397
Energy: 1.0685111732012875
Energy: 1.040210039729451
Energy: 1.0696862209649987
Energy: 1.1021274199069484
Energy: 1.0722624412714499
Energy: 1.0719012188175574
Energy: 1.1031466300489288
Energy: 1.0695332599434777
Energy: 1.0720753003040633
Energy: 1.121339710366121
Energy: 1.0820944366440501
Energy: 1.0821734650320274
Energy: 1.1218054129796935
Energy: 1.0821057432913324
Energy: 1.0823558866728706
Energy: 1.1221240240298547
Energy: 1.0884204852344508
Energy: 1.0848595045820637
Energy: 1.1226730110305172
Energy: 1.0887319379748708
Energy: 1.0868241303785684
Energy: 1.1615677895230112
Energy: 1.081185803541895
Energy: 1.0804242705562765
Energy: 1.029363898197364
Energy: 1.085319624363913
Energy: 1.0801918860784134

minimum gb energy = 1.029363898197364 eV
minimum distance =  2.34439014734932 Angstroms
sigma value = 3


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

Energy: 2.0893140091996236
Energy: 1.3244719495241697
Energy: 1.2254271161775305
Energy: 1.1777775049281898
Energy: 1.3525977959825695
Energy: 1.2094272127806287
Energy: 1.224791868963401
Energy: 1.2368531630374096
Energy: 1.1991478002761589
Energy: 1.247752342192401
Energy: 1.267380274644285
Energy: 1.2043702614716365
Energy: 1.2918344206078305
Energy: 1.2214264041704772
Energy: 1.220412724180306
Energy: 1.2923774349399695
Energy: 1.227596248692663
Energy: 1.2027674639802852
Energy: 1.2019257213378653
Energy: 1.2089118716885048
Energy: 1.2090453572005202
Energy: 1.202220365442176
Energy: 1.215668452220309
Energy: 1.1997041877281447
Energy: 1.1992181362706098
Energy: 1.1889427385892166
Energy: 1.216579942991027
Energy: 1.2000296370320784
Energy: 1.177814905230342
Energy: 1.2006136236729394
Energy: 1.200218347240954
Energy: 1.1829352713859702
Energy: 1.199305091230207
Energy: 1.2013729705539182
Energy: 1.1781005949482422
Energy: 1.199963859794088
Energy: 1.214219140312652
Energy: 1.2086001605154697
Energy: 1.1959838652786434
Energy: 1.1743246019940181
Energy: 1.2234549491395503
Energy: 1.2176718731862257
Energy: 1.6213913137284024
Energy: 1.277508615273132
Energy: 1.2136522520085713
Energy: 1.1915187783872572
Energy: 1.3486405114599334
Energy: 1.2928567641307913
Energy: 1.2183921454859505
Energy: 1.1835876863333172
Energy: 1.1807724348028117
Energy: 1.1747525350181864
Energy: 1.185616448095178
Energy: 1.2563244247660907
Energy: 1.3640624341983005
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Energy: 1.1802198206520569
Energy: 1.2962358641252767
Energy: 1.1879677115753502
Energy: 1.2149707185964218
Energy: 1.2408423482527107
Energy: 1.1669766155028438
Energy: 1.206248151478885
Energy: 1.2418970518211179
Energy: 1.1752730883091866
Energy: 1.1732045538414717
Energy: 1.2418332828501402
Energy: 1.1937622609310656
Energy: 1.1930490428593954
Energy: 1.224475070795296
Energy: 1.2012600914005689
Energy: 1.192480124717837
Energy: 1.2151529052625396
Energy: 1.194203546982667
Energy: 1.1919511823360085
Energy: 1.1883079192848738
Energy: 1.1929155625045922
Energy: 1.1911523355853508
Energy: 1.1949208634984754
Energy: 1.1938692196729057
Energy: 1.1936551938689153
Energy: 1.2541702783198463
Energy: 1.1954163153436785
Energy: 1.1939872048164366
Energy: 1.434984462189122
Energy: 1.2060686364532147
Energy: 1.2016072333147891
Energy: 1.2188797667531903
Energy: 1.2052302377677404
Energy: 1.198421036723813
Energy: 1.2404160368554826
Energy: 1.2339618873739986
Energy: 1.2383420576859931
Energy: 1.2618563899797175
Energy: 1.2256140603376084
Energy: 1.2354292711714265
Energy: 1.3331721919654762
Energy: 1.1995989692829003
Energy: 1.2007529113212339
Energy: 1.3340524325704066
Energy: 1.220327108742633
Energy: 1.1733704107384928
Energy: 1.2982270760802728
Energy: 1.2555617708132545
Energy: 1.268830598460968
Energy: 1.3566898209286662
Energy: 1.193999380093759
Energy: 1.27058969210557
Energy: 1.4034008903959418
Energy: 1.1898746750068436
Energy: 1.195444444327289
Energy: 1.2619478106304696
Energy: 1.2733293625736866
Energy: 1.1903750658637415
Energy: 1.3182850798137649
Energy: 1.1970551396230682
Energy: 1.1982505190675394
Energy: 1.2141274424345265
Energy: 1.1994369288071272
Energy: 1.1794005857325756
Energy: 1.2138727227012613
Energy: 1.1963348770136972
Energy: 1.196568056074201
Energy: 1.2013942633371908
Energy: 1.195311059032958
Energy: 1.1948549489821763
Energy: 1.2135216040474
Energy: 1.1988509065472401
Energy: 1.2010058288942618
Energy: 1.2241406302596987
Energy: 1.196018531878863
Energy: 1.1970864391481162
Energy: 1.2261044446329146
Energy: 1.202440448071049
Energy: 1.235308545428391
Energy: 1.2276466423004595
Energy: 1.1921277921003168
Energy: 1.2310369241583663
Energy: 1.2194616013339652
Energy: 1.1911161782052546
Energy: 1.1914765138270278
Energy: 1.2183046574906342
Energy: 1.1905809048615135
Energy: 1.2161058477431572
Energy: 1.2330842091387595
Energy: 1.1988082171459908
Energy: 1.1992008842235462
Energy: 1.1920811620199447
Energy: 1.253476327383741
Energy: 1.1974565920659777
Energy: 1.407434252698971
Energy: 1.1794117632907735
Energy: 1.1798901680355809
Energy: 1.2180216118319889
Energy: 1.306656931465443
Energy: 1.2045680798374219
Energy: 1.1673262045606407
Energy: 1.1797826363066897
Energy: 1.2219790708776586
Energy: 1.250422567126863
Energy: 1.3120336942632977
Energy: 1.2268934210462077
Energy: 1.2368554843196486
Energy: 1.1954637434758102
Energy: 1.199177680113447
Energy: 1.2240017695807037
Energy: 1.194631829319859
Energy: 1.1981181712919626
Energy: 1.228655709815578
Energy: 1.2219370912040066
Energy: 1.2211995393810546
Energy: 1.2285341705672705
Energy: 1.221091584988021
Energy: 1.2296523396248358
Energy: 1.2293291142943548
Energy: 1.1911685238456713
Energy: 1.236476457206441
Energy: 1.2319500925617017
Energy: 1.2194789810201043
Energy: 1.2357749102030522
Energy: 1.2275318317606665
Energy: 1.2204487041967853
Energy: 1.2196593507920797
Energy: 1.2304848683104834
Energy: 1.3073804776888587
Energy: 1.2176408943191426
Energy: 1.239323422867263
Energy: 1.2095843826462833
Energy: 1.2108312940030264
Energy: 1.2491020154613397
Energy: 1.2050695099752096
Energy: 1.2146836062904272
Energy: 1.3726996860701366
Energy: 1.1987477660282198
Energy: 1.2292756666681073
Energy: 1.1911917690112424
Energy: 1.2699064917152096
Energy: 1.199383821044148
Energy: 1.2936779512424292
Energy: 1.2463544135444253
Energy: 1.2644779509318385
Energy: 1.2387200659602036
Energy: 1.3261910827361456
Energy: 1.2392175390187614
Energy: 1.2192291811002014
Energy: 1.2425589959583032
Energy: 1.2575318775281137
Energy: 1.2831866674991665
Energy: 1.2319068848322818
Energy: 1.2182550229627906
Energy: 1.2518440215191087
Energy: 1.1889543172038473
Energy: 1.1804154473361854
Energy: 1.2531896513838041
Energy: 1.1878030627362899
Energy: 1.2149694345700968
Energy: 1.2401443067051496
Energy: 1.1840106457585435
Energy: 1.181444400596393
Energy: 1.2284371313904696
Energy: 1.1790029241217006
Energy: 1.180237421617121
Energy: 1.2803489464197157
Energy: 1.192149504598667
Energy: 1.1908791252837914
Energy: 1.171293774663258
Energy: 1.1918143204781222
Energy: 1.1921759956258695
Energy: 1.2264761467498895
Energy: 1.1947530634439132
Energy: 1.1938452898255445
Energy: 1.2578226637296768
Energy: 1.2061271829414975
Energy: 1.1919339440269934
Energy: 1.262148193149792
Energy: 1.1956766304191724
Energy: 1.195984422921727
Energy: 1.2123777793521302
Energy: 1.1949555485487409
Energy: 1.19393878730721
Energy: 1.338151459500565
Energy: 1.193743175310049
Energy: 1.1945658910831722
Energy: 1.2268408760926865
Energy: 1.26474270492447
Energy: 1.1934861886687431
Energy: 1.3348987773771064
Energy: 1.1837693443943509
Energy: 1.1816488133974161
Energy: 1.3323748709418446
Energy: 1.2242662555553825
Energy: 1.2283642074955379
Energy: 1.484119668813945
Energy: 1.2175410618481188
Energy: 1.2008361346361711
Energy: 1.3273467799898115
Energy: 1.2192841055764752
Energy: 1.1749679740859285
Energy: 1.2086849855838895
Energy: 1.2670050594177231
Energy: 1.1993392803089624
Energy: 1.2081197819144305
Energy: 1.2306980870074518
Energy: 1.194159524011997
Energy: 1.8009197195619209
Energy: 1.1815407115541232
Energy: 1.2534046952186204
Energy: 1.2602901591528657
Energy: 1.179286870132327
Energy: 1.252646670847936
Energy: 1.1765380524377667
Energy: 1.1990722313677418
Energy: 1.1900333485661192
Energy: 1.1815298434356256
Energy: 1.17796527183277
Energy: 1.2018241467526738
Energy: 1.177254542673846
Energy: 1.190651306042648
Energy: 1.1893277989200486
Energy: 1.1909029097719943
Energy: 1.1850861198962177
Energy: 1.190162132827663
Energy: 1.177860847130544
Energy: 1.1919237430983207
Energy: 1.1928465178908711
Energy: 1.1792173468218312
Energy: 1.1837153613273226
Energy: 1.1929195144544278
Energy: 1.1833399319819822
Energy: 1.193995592993267
Energy: 1.193486455100826
Energy: 1.1840651259871975
Energy: 1.1931513368744884
Energy: 1.1944127229505836
Energy: 1.204804656483836
Energy: 1.1896058379612455
Energy: 1.1905654337940672
Energy: 1.2106854227335735
Energy: 1.1906571855901555
Energy: 1.202152238869182
Energy: 1.2244533565144946
Energy: 1.2444468973087182
Energy: 1.1915393242659922
Energy: 1.231265131717203
Energy: 1.256616651596962
Energy: 1.2130019952571847

minimum gb energy = 1.1669766155028438 eV
minimum distance =  2.28259030044839 Angstroms
sigma value = 81


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

Energy: 2.3504310142837275
Energy: 1.2993303557892597
Energy: 1.141037009196048
Energy: 1.142878390386706
Energy: 1.2147145803432218
Energy: 1.3000193446181967
Energy: 1.2846803610416198
Energy: 1.2167462431070455
Energy: 1.110209225980879
Energy: 1.167617173689943
Energy: 1.1042472558917036
Energy: 1.1717392537538887
Energy: 1.5375760454375058
Energy: 1.2940109727406532
Energy: 1.2836103928421552
Energy: 1.2060995637814251
Energy: 1.3042029883478963
Energy: 1.1851569811657658
Energy: 1.19626243224767
Energy: 1.2905438231699107
Energy: 1.242404718810922
Energy: 1.4255909067503842
Energy: 1.3045799659739967
Energy: 1.232809670396505
Energy: 1.3023323223068952
Energy: 1.239679133362033
Energy: 1.4311975073898493
Energy: 1.4274457480944642
Energy: 1.2364895399195872
Energy: 1.210753421521738
Energy: 1.1955907309575922
Energy: 1.3472718443729201
Energy: 1.416701098961521
Energy: 1.4337422485209512
Energy: 1.432306522874833
Energy: 1.4286603930498816
Energy: 1.2699294721254344
Energy: 1.2937184921053602
Energy: 1.3107641385823057
Energy: 1.353480109432349
Energy: 1.3315835170144656
Energy: 1.329843679051573
Energy: 1.4586147056720455
Energy: 1.59285603996121
Energy: 1.527282489512873
Energy: 1.2725705365223492
Energy: 1.4549202214435664
Energy: 1.2680170019445434
Energy: 1.2678096780628796
Energy: 1.2947344753405836
Energy: 1.329183113176311
Energy: 1.3523301172023023
Energy: 1.2627414015521405
Energy: 1.2745264577794178
Energy: 1.325438982081095
Energy: 1.2493292961330016
Energy: 1.2493809500628776
Energy: 1.3009488778996934
Energy: 1.169394140996981
Energy: 1.1702348062944068
Energy: 1.3177744388276724
Energy: 1.2593345039801134
Energy: 1.253761379804959
Energy: 1.2864303263990018
Energy: 1.1556995868734987
Energy: 1.2721457593505965
Energy: 1.302762396610054
Energy: 1.288808883186531
Energy: 1.2561145395710804
Energy: 1.2955774431794922
Energy: 1.2777695167315672
Energy: 1.273319512802094
Energy: 1.301914277624622
Energy: 1.3642256389485834
Energy: 1.2788370599792978
Energy: 1.3044781847716254
Energy: 1.4511440856767024
Energy: 1.2852127466361747
Energy: 1.2643378522709101
Energy: 1.2563589880460708
Energy: 1.255890092066276
Energy: 1.3356643890588464
Energy: 1.3699371728340082
Energy: 1.2576421594231622
Energy: 1.5872556478178592
Energy: 1.4445488784175944
Energy: 1.42578535030044
Energy: 1.4440855941736075
Energy: 1.442531526700748
Energy: 1.4292174125624255
Energy: 1.3406902102321614
Energy: 1.4399661795361096
Energy: 1.440327103534122
Energy: 1.3419575184602979
Energy: 1.4401442281891175
Energy: 1.4419315684948715
Energy: 1.438969037733599
Energy: 1.2739857335352829
Energy: 1.2738575896477056
Energy: 1.4392862874194086
Energy: 1.273652273550533
Energy: 1.2841717680381501
Energy: 1.3948144613384832
Energy: 1.4486229504463248
Energy: 1.4338361997367934
Energy: 1.4289238569453515
Energy: 1.5251244988771162
Energy: 1.4402841576868617
Energy: 1.4600123599081325
Energy: 1.4495768061730696
Energy: 1.2514283651191107
Energy: 1.2637441621033327
Energy: 1.4503565694344769
Energy: 1.2515605995328656
Energy: 1.4908436576873294
Energy: 1.4273924518401606
Energy: 1.2506181121770596
Energy: 1.262020304219867
Energy: 1.4745908963836265
Energy: 1.2505229851647792
Energy: 1.3948528695158688
Energy: 1.4140519653289743
Energy: 1.4427510512338075
Energy: 1.4294813091920924
Energy: 1.4563619380059154
Energy: 1.4169246976811523
Energy: 1.337790280880201
Energy: 1.2895615125567799
Energy: 1.2901212127953787
Energy: 1.4170583168280344
Energy: 1.2662876910280547
Energy: 1.2905185129792818
Energy: 1.332290258869295
Energy: 1.3534320964879487
Energy: 1.4483858250046817
Energy: 1.4473869682112162
Energy: 1.4054194197777548
Energy: 1.4416151397686248
Energy: 1.4445331757039817
Energy: 1.4266488751577118
Energy: 1.4263460894406874
Energy: 1.4423407911922503
Energy: 1.4292553153390872
Energy: 1.4276847514245599
Energy: 1.2664386548988864
Energy: 1.297267266001341
Energy: 1.305842438706662
Energy: 1.3697326185451648
Energy: 1.284168946029692
Energy: 1.2977686344571826
Energy: 1.4595581424894983
Energy: 1.5204694050284442
Energy: 1.473251411290168
Energy: 1.2739308945580823
Energy: 1.510086119571743
Energy: 1.3678402495141928
Energy: 1.4597529427133646
Energy: 1.3733766490680857
Energy: 1.3620017846140675
Energy: 1.2609252948175067
Energy: 1.593692737703736
Energy: 1.37278842955547
Energy: 1.310455334252193
Energy: 1.1943378732417194
Energy: 1.2727883711730914
Energy: 1.290955107163684
Energy: 1.253836726452032
Energy: 1.2729943005880906
Energy: 1.3345117063194103
Energy: 1.1688237580762497
Energy: 1.169056175082804
Energy: 1.3228725443641232
Energy: 1.2489958407313182
Energy: 1.2488758479675255
Energy: 1.273123193908843
Energy: 1.2854008336584943
Energy: 1.2804321000544006
Energy: 1.2713264410580618
Energy: 1.2760380358230516
Energy: 1.2685094299153385
Energy: 1.3011187653209215
Energy: 1.3279064061969494
Energy: 1.2910743798076754
Energy: 1.3050366870408092
Energy: 1.490621264697946
Energy: 1.2871652339908461
Energy: 1.2634828308690886
Energy: 1.271719728293049
Energy: 1.2717757087168802
Energy: 1.2729839804843495
Energy: 1.3033402604343074
Energy: 1.2667371417356204
Energy: 1.364385615337978
Energy: 1.4179963650354497
Energy: 1.4203833864001818
Energy: 1.4267969091413895
Energy: 1.41108754255582
Energy: 1.3021525679333061
Energy: 1.3640972910485367
Energy: 1.4113121765001773
Energy: 1.4346539052036573
Energy: 1.4568150001822031
Energy: 1.4369591561836417
Energy: 1.2362845291285591
Energy: 1.363257946890172
Energy: 1.2093705793826417
Energy: 1.50582963813235
Energy: 1.5939590933293732
Energy: 1.2757985701045516
Energy: 1.3081708264860594
Energy: 1.318257572607846
Energy: 1.2746420518253432
Energy: 1.2740805573970004
Energy: 1.3700580877222865
Energy: 1.2737193830372455
Energy: 1.2968784769993693
Energy: 1.3071175167226237
Energy: 1.2138045149203425
Energy: 1.1052610140208778
Energy: 1.1671676739481147
Energy: 1.1035997572500826
Energy: 1.1731399730567658
Energy: 1.4514745989713471
Energy: 1.1839602715670987
Energy: 1.1416305850828337
Energy: 1.1261823604433596
Energy: 1.1841703548072495
Energy: 1.3013454912601174

minimum gb energy = 1.1035997572500826 eV
minimum distance =  2.29337439090065 Angstroms
sigma value = 43


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

Energy: 2.1273123283129642
Energy: 1.3447927598270062
Energy: 1.2437281888116585
Energy: 1.1594965995601632
Energy: 1.3092403315092052
Energy: 1.1598216553084775
Energy: 1.120502579283252
Energy: 1.174795558603339
Energy: 1.1741682279610823
Energy: 1.226469322706302
Energy: 1.1322873539440563
Energy: 1.147391888728489
Energy: 1.1381346491719553
Energy: 1.118044459446808
Energy: 1.1176813901694753
Energy: 1.1421052289679496
Energy: 1.1181087657265512
Energy: 1.1355411806542557
Energy: 1.1359064177960383
Energy: 1.1184912832178397
Energy: 1.1346948172927631
Energy: 1.1361585383045552
Energy: 1.1271723105619682
Energy: 1.1346666416355284
Energy: 1.1354628663660575
Energy: 1.1581712618544096
Energy: 1.155636588171258
Energy: 1.1350243004903215
Energy: 1.163931779793061
Energy: 1.15917031581296
Energy: 1.135789274179166
Energy: 1.1628279102877432
Energy: 1.1573811178862436
Energy: 1.165741595516529
Energy: 1.1496582556092756
Energy: 1.156459180438821
Energy: 1.1367422002707388
Energy: 1.13484645596278
Energy: 1.1350263176998432
Energy: 1.151559824179235
Energy: 1.1347761595069688
Energy: 1.1350512618702977
Energy: 1.252168108663974
Energy: 1.136744675363174
Energy: 1.1385530233246635
Energy: 1.1908878712081545
Energy: 1.1357787153999606
Energy: 1.1338938413078963
Energy: 1.1358279322861082
Energy: 1.1332713127595524
Energy: 1.133478133017252
Energy: 1.1351621827771432
Energy: 1.232350457830356
Energy: 1.1339249403950955
Energy: 1.3483014697908804
Energy: 1.145287991534429
Energy: 1.14422836354076
Energy: 1.3482647090244502
Energy: 1.1406428817130456
Energy: 1.2029286968120003
Energy: 1.178367136017256
Energy: 1.1789235539288705
Energy: 1.2133818940201295
Energy: 1.1356734876252519
Energy: 1.1430680084739784
Energy: 1.1987476883146329
Energy: 1.1505298848932266
Energy: 1.1342256427953588
Energy: 1.133487195214489
Energy: 1.13334434865674
Energy: 1.1341190154180592
Energy: 1.133697563991892
Energy: 1.297020072774176
Energy: 1.1356537250358845
Energy: 1.1523477818115178
Energy: 1.1304161928651295
Energy: 1.1955327869766545
Energy: 1.1525779398588931
Energy: 1.1753807752295993
Energy: 1.1468790134898499
Energy: 1.141043873557258
Energy: 1.13873452127656
Energy: 1.133913018320434
Energy: 1.1320349842013828
Energy: 1.1793486251864596
Energy: 1.1711442502286642
Energy: 1.176330775920354
Energy: 1.1770370460328303
Energy: 1.131500451452536
Energy: 1.1768128092324006
Energy: 1.1711519563942168
Energy: 1.1533637216904828
Energy: 1.1581576892773373
Energy: 1.1675278437025032
Energy: 1.1643931467220483
Energy: 1.1715738593821832
Energy: 1.166615399129811
Energy: 1.1916997955339654
Energy: 1.191703629780168
Energy: 1.1666621508159305
Energy: 1.1761021626671184
Energy: 1.191624142433297
Energy: 1.1673664807246034
Energy: 1.1800457324649025
Energy: 1.1942569277923765
Energy: 1.191028910142564
Energy: 1.179321011853422
Energy: 1.193640869216103
Energy: 1.1370064852487767
Energy: 1.1703484709492666
Energy: 1.188568890442238
Energy: 1.1678260689212288
Energy: 1.2083948206775907
Energy: 1.1371096834573111
Energy: 1.3369161636103388
Energy: 1.1694436165901738
Energy: 1.1732897247261922
Energy: 1.1591001890552777
Energy: 1.2006145681391016
Energy: 1.1373140690252301
Energy: 1.1675166780308046
Energy: 1.1801306578236908
Energy: 1.1808130882183057
Energy: 1.1713311150875962
Energy: 1.1595142891472907
Energy: 1.2094952783794253
Energy: 1.2519105417857883
Energy: 1.154891290293303
Energy: 1.1547775470418553
Energy: 1.2519352528709706
Energy: 1.152391703183382
Energy: 1.2774077248863274
Energy: 1.1716001242887908
Energy: 1.182194574342141
Energy: 1.1800606993220717
Energy: 1.1931357607254396
Energy: 1.187912761866206
Energy: 1.1925351226860856
Energy: 1.2961447464263254
Energy: 1.1881671791742212
Energy: 1.1868011084826169
Energy: 1.2169484130277763
Energy: 1.1852408832875352
Energy: 1.1925574987399499
Energy: 1.1707642793014141
Energy: 1.1726723469120741
Energy: 1.175282954575551
Energy: 1.181153936824764
Energy: 1.1716455702690107
Energy: 1.1868569256105017
Energy: 1.2361258349455335
Energy: 1.1759362389123025
Energy: 1.1579486680944564
Energy: 1.1629468039781037
Energy: 1.1727667105852215
Energy: 1.1570535711451941
Energy: 1.2364387394263747
Energy: 1.1574474439148839
Energy: 1.1610512808528146
Energy: 1.1871704763749156
Energy: 1.1745051519165566
Energy: 1.1649129581482682
Energy: 1.1916257295129724
Energy: 1.1426823312679468
Energy: 1.1418471859898776
Energy: 1.1340302555896946
Energy: 1.1382856199369298
Energy: 1.1351852632966941
Energy: 1.1336537614822748
Energy: 1.1367851376300868
Energy: 1.1396810993484379
Energy: 1.1331788854783331
Energy: 1.1873183132341942
Energy: 1.13982399415742
Energy: 1.1352067014870504
Energy: 1.143365628589775
Energy: 1.1421106740085967
Energy: 1.2315294646939583
Energy: 1.131504880562854
Energy: 1.1339511352274798
Energy: 1.1555704712074828
Energy: 1.2434550461301888
Energy: 1.1493416623306196
Energy: 1.1572452427770226
Energy: 1.3039399876160693
Energy: 1.145687845450831

minimum gb energy = 1.1176813901694753 eV
minimum distance =  2.29299098119582 Angstroms
sigma value = 57


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

Energy: 1.543474197109523
Energy: 1.2904204474697556
Energy: 1.1642335800461663
Energy: 1.1395837810878717
Energy: 1.2691732851079836
Energy: 1.2906393572588424
Energy: 1.2580649173208696
Energy: 1.1826886090327946
Energy: 1.1815171837294727
Energy: 1.1768326261266142
Energy: 1.1458486277421773
Energy: 1.1539764955014238
Energy: 1.33441269321737
Energy: 1.197535608987393
Energy: 1.2015454808375456
Energy: 1.1568753412831323
Energy: 1.1979285319177628
Energy: 1.2008310779779081
Energy: 1.3684451641397146
Energy: 1.197776135615055
Energy: 1.2018009345727305
Energy: 1.3740151212055383
Energy: 1.1974919433605102
Energy: 1.1691960487418962
Energy: 1.3789512479100816
Energy: 1.3281659705146187
Energy: 1.334304938450222
Energy: 1.1633781386163744
Energy: 1.1268839652485318
Energy: 1.339582617820122
Energy: 1.2029260331308635
Energy: 1.3129028797204731
Energy: 1.3156226960060466
Energy: 1.3289821332751037
Energy: 1.3149899023430587
Energy: 1.3134632575918936
Energy: 1.414430590597083
Energy: 1.340866602204282
Energy: 1.3412566000137862
Energy: 1.3361675806056035
Energy: 1.3414101495350566
Energy: 1.316864041831202
Energy: 1.2576377609676854
Energy: 1.3646933309691789
Energy: 1.375515224805834
Energy: 1.2502396719491737
Energy: 1.3815230802137606
Energy: 1.3709228533551023
Energy: 1.3818711070819425
Energy: 1.370271554311663
Energy: 1.370669715702673
Energy: 1.3842156539149204
Energy: 1.3712884852705638
Energy: 1.3839569971905439
Energy: 1.6023126222634807
Energy: 1.2693131329662612
Energy: 1.2689502159652806
Energy: 1.6032794854014805
Energy: 1.2687509607678487
Energy: 1.2686840271165818
Energy: 1.3136115444345413
Energy: 1.2461608627692866
Energy: 1.3190771000210435
Energy: 1.390016682410735
Energy: 1.2459056353241948
Energy: 1.3890358228405864
Energy: 1.1285838993429598
Energy: 1.3434594289685327
Energy: 1.341679424134098
Energy: 1.1239462997033947
Energy: 1.3420868955221952
Energy: 1.2066009830781435
Energy: 1.1264278056728552
Energy: 1.3408057844217711
Energy: 1.2063949247301369
Energy: 1.0798238154266855
Energy: 1.3400799260728133
Energy: 1.2087285661856884
Energy: 1.3047825667810908
Energy: 1.3430093963600864
Energy: 1.3155362210471846
Energy: 1.4175600190688955
Energy: 1.4015884511845988
Energy: 1.318461652116068
Energy: 1.349856766886573
Energy: 1.224839543726601
Energy: 1.2438006212790016
Energy: 1.3494721671513437
Energy: 1.2041159114349322
Energy: 1.2286414972977302
Energy: 1.3714928367714494
Energy: 1.3574193504514904
Energy: 1.3592765073451716
Energy: 1.3726748102702309
Energy: 1.347259579782869
Energy: 1.3579647717949404
Energy: 1.3704492341147474
Energy: 1.337521466122335
Energy: 1.3469144637818409
Energy: 1.344040072906016
Energy: 1.3385563616153384
Energy: 1.3417722364525067
Energy: 1.4033011473246308
Energy: 1.3143515422587935
Energy: 1.347852172746471
Energy: 1.3537686158452862
Energy: 1.3442444463184704
Energy: 1.3399908626465133
Energy: 1.3885721025363564
Energy: 1.343943392569992
Energy: 1.3486070629812787
Energy: 1.3367982431678522
Energy: 1.3444807399723968
Energy: 1.345972774787051
Energy: 1.3896673915184363
Energy: 1.3648827066516303
Energy: 1.369756255525439
Energy: 1.3368055394306138
Energy: 1.3695876066545238
Energy: 1.3660714526838735
Energy: 1.3494217588560207
Energy: 1.2301414716587298
Energy: 1.3638924925051816
Energy: 1.3459185797461102
Energy: 1.1453253615716334
Energy: 1.159767127171181
Energy: 1.5429177674939032
Energy: 1.272708707597297
Energy: 1.2665832690767675
Energy: 1.3491050396403352
Energy: 1.2720462421081447
Energy: 1.2411712607192158
Energy: 1.349737217890067
Energy: 1.1472883960577385
Energy: 1.1474800533873024
Energy: 1.1789144108781602
Energy: 1.1470735604206599
Energy: 1.167759550898239
Energy: 1.2490934396677031
Energy: 1.1466952246603859
Energy: 1.213345529206282
Energy: 1.1534431286417917
Energy: 1.163302337964673
Energy: 1.3272528700350643

minimum gb energy = 1.0798238154266855 eV
minimum distance =  2.27137535779002 Angstroms
sigma value = 17


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

Energy: 1.0640901541162588
Energy: 1.2587357450953156
Energy: 1.3743910272178559
Energy: 1.1094326943727462
Energy: 1.1520854947479675
Energy: 1.1489016603371411
Energy: 1.1093344177195148
Energy: 1.2086017910334121
Energy: 1.1935234976007458
Energy: 1.2288368554252362
Energy: 1.2094834608482279
Energy: 1.1200080050580006
Energy: 1.2304228681382186
Energy: 1.0442316136805203
Energy: 1.0445807642274858
Energy: 1.2272166496787502
Energy: 1.0445875583750168
Energy: 1.07686765590194
Energy: 1.2267540914075885
Energy: 1.044680363771907
Energy: 1.0798296661983766
Energy: 1.223745309131949
Energy: 1.0866093644906938
Energy: 1.1973985708722314
Energy: 1.0976161857197422
Energy: 1.0564899804292796
Energy: 1.0380729918456733
Energy: 1.0983892174678107
Energy: 1.0555987442857733
Energy: 1.037642215189711
Energy: 1.0777199942636682
Energy: 1.0545277599250367
Energy: 1.0366011528828187
Energy: 1.036296471815405
Energy: 1.0930595854165714
Energy: 1.0370899322830642
Energy: 1.0911888216481553
Energy: 1.080544188700518
Energy: 1.0806605112800585
Energy: 1.0731050143934033
Energy: 1.0823486054399256
Energy: 1.0522805652458354
Energy: 1.0514508006799907
Energy: 1.0199708023511642
Energy: 1.019575088259085
Energy: 1.0202061202702442
Energy: 1.0211621121185477
Energy: 1.0189292166534107
Energy: 1.0851189855022263
Energy: 1.0213387054108742
Energy: 1.021463939430979
Energy: 1.0822092234191576
Energy: 1.0208028060886416
Energy: 1.0584092284558648
Energy: 1.0925799228133095
Energy: 1.0373838635283144
Energy: 1.0370548222204004
Energy: 1.0920239346678462
Energy: 1.0371276887579577
Energy: 1.054040753648347
Energy: 1.073030874225201
Energy: 1.0317160072995768
Energy: 1.0367873301018578
Energy: 1.0747529654424663
Energy: 1.2256020879479999
Energy: 1.0568651640607243
Energy: 1.221273534509611
Energy: 1.2225727483984226
Energy: 1.2226017971678458
Energy: 1.2215138625218869
Energy: 1.2258814814311425
Energy: 1.2230335428485657
Energy: 1.2216219939393258
Energy: 1.208213249019253
Energy: 1.1934731072721747
Energy: 1.040381673661041
Energy: 1.208587338937279
Energy: 1.193679544927885
Energy: 1.244114364963336
Energy: 1.209207153407941
Energy: 1.1940912893334157
Energy: 1.2277575382254284
Energy: 1.2336728365632228
Energy: 1.0837698986457924
Energy: 1.2512625373232225
Energy: 1.219448376481253
Energy: 1.2059834058815075
Energy: 1.1542126212587933
Energy: 1.2072558388796841
Energy: 1.2210755242344782
Energy: 1.3552885340255378
Energy: 1.217801948312886
Energy: 1.1028570105399638
Energy: 1.2250764818095774
Energy: 1.2292216437315335
Energy: 1.1933004236783442
Energy: 1.2105397835738798
Energy: 1.2084929010172232
Energy: 1.3346676963400013
Energy: 1.078839618050607
Energy: 1.2086777280890861
Energy: 1.33465579823829

minimum gb energy = 1.0189292166534107 eV
minimum distance =  2.29915000711292 Angstroms
sigma value = 17


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

Energy: 1.9913785699950246
Energy: 1.3224626529613446
Energy: 1.0688600803386237
Energy: 1.0715099356696138
Energy: 1.2005483139089617
Energy: 1.0687618194425257
Energy: 1.0816113833128715
Energy: 1.1485320879392915
Energy: 1.1469921821193714
Energy: 1.1849275870059217
Energy: 1.1479683393744062
Energy: 1.076618958514883
Energy: 1.417433313840067
Energy: 0.9498808172486924
Energy: 1.0014424888958262
Energy: 1.1857491938766846
Energy: 0.9503599557213691
Energy: 1.0038690410394464
Energy: 1.1905957269033172
Energy: 0.9936814333525279
Energy: 1.044320960563794
Energy: 1.1924007314065874
Energy: 0.9452601106153079
Energy: 1.0472230115588343
Energy: 1.05278392227386
Energy: 0.9826219007264743
Energy: 0.9775159224090704
Energy: 1.0534100853123283
Energy: 1.0202527259586338
Energy: 0.9639014303652933
Energy: 1.0453343596348192
Energy: 1.03689607945318
Energy: 0.9436333342178652
Energy: 0.9473838356896348
Energy: 1.0380191042289706
Energy: 0.9453086649868289
Energy: 0.9752675065273614
Energy: 1.0369142506359479
Energy: 1.0367785983280116
Energy: 0.9664868655301072
Energy: 1.0414659145847667
Energy: 0.9866893194568978
Energy: 0.9762405058419339
Energy: 0.9237322429578216
Energy: 0.9325343858628073
Energy: 0.9385236484563245
Energy: 0.9249092444702769
Energy: 0.9318751433538037
Energy: 0.977258246042407
Energy: 0.9321244761382342
Energy: 0.9406161616908016
Energy: 0.9790216839365984
Energy: 0.9618689232884753
Energy: 0.9769953317133276
Energy: 0.9767858562828733
Energy: 0.9270590759840422
Energy: 0.927041705887127
Energy: 0.9768322948105159
Energy: 0.9270207669875449
Energy: 0.9270304487705832
Energy: 0.9948564449631788
Energy: 0.9762191571156107
Energy: 0.9290907765302667
Energy: 0.9299481886129115
Energy: 0.9768754539022548
Energy: 0.9297764697675382
Energy: 0.980255418387864
Energy: 0.9773180215397351
Energy: 0.9767289487044177
Energy: 0.9819544922826621
Energy: 0.9826980299637135
Energy: 0.9658561395089789
Energy: 1.0363837742023134
Energy: 0.9320089783141711
Energy: 0.9303556479777927
Energy: 0.9340903412635901
Energy: 0.9554708818082153
Energy: 0.9308974545089371
Energy: 1.0385886499768884
Energy: 0.9408088231501615
Energy: 0.9407285594485305
Energy: 1.0386465493675456
Energy: 0.9481145871447221
Energy: 1.037189281067669
Energy: 1.0372711055333865
Energy: 0.9578566255298232
Energy: 0.9573588950546769
Energy: 1.0369106335829048
Energy: 0.9555215003982372
Energy: 0.9753351632721262
Energy: 1.202983056909862
Energy: 1.0200201916356233
Energy: 0.9647325047508394
Energy: 1.019213747734391
Energy: 1.0432699880742864
Energy: 0.9754724436262073
Energy: 0.9767524797622035
Energy: 1.1870768017555604
Energy: 1.1867616150797795
Energy: 0.9609910306564471
Energy: 1.186905883646229
Energy: 1.0001159841576845
Energy: 1.0573070637143787
Energy: 1.148520569181255
Energy: 1.1470220145387604
Energy: 1.0567008527960542
Energy: 1.186167588028768
Energy: 0.9770618540079917
Energy: 1.3169251200610441
Energy: 1.1506623610773028
Energy: 1.0764742408447536
Energy: 1.1870901243554643
Energy: 1.0418518196451356
Energy: 0.9646896932485364
Energy: 1.4283297863046545
Energy: 1.0156757119478057
Energy: 1.0156217340220612
Energy: 1.1574644643452463
Energy: 1.0012530592336089
Energy: 1.1554045967870674
Energy: 1.4118631451934638
Energy: 1.1485281286819191
Energy: 1.147000000801496
Energy: 1.1888180953632403
Energy: 1.150079320318336
Energy: 1.1462163484498868
Energy: 0.9906618813598639
Energy: 1.15782015845789
Energy: 1.2860299539223006
Energy: 0.985657091906598
Energy: 1.1568863121514417
Energy: 1.0453227171349553
Energy: 0.9947502909294035
Energy: 1.1486983021680954
Energy: 1.1473283593122763
Energy: 0.9971387534544714
Energy: 1.1500876736300953
Energy: 1.2571459517550427
Energy: 1.4208492462414162
Energy: 0.986955413678092
Energy: 1.1397079462829096
Energy: 1.1874292878708943
Energy: 0.9789161380034357
Energy: 1.1156598678053373
Energy: 1.1860702668100136
Energy: 0.9504008625405903
Energy: 1.0020367575740914
Energy: 1.186941253416281
Energy: 0.9519097099060988
Energy: 1.0033009699487927
Energy: 1.0573302852490216
Energy: 0.9793469894109605
Energy: 0.9770765441165488
Energy: 1.0561431378661164
Energy: 1.0195467018070423
Energy: 1.021665410714273
Energy: 1.0462119021707643
Energy: 1.0141966417169488
Energy: 0.9994943587121462
Energy: 0.9476810671625222
Energy: 0.9819093678151645
Energy: 0.9455831426299393
Energy: 0.9635767984396681
Energy: 1.0375060112843832
Energy: 1.0375695324260903
Energy: 1.0401866963647535
Energy: 1.0400890261677673
Energy: 1.0371859320663213
Energy: 0.9807837917635985
Energy: 0.9328055842766951
Energy: 0.9334957390945674
Energy: 0.939492853891377
Energy: 1.0369173184606937
Energy: 0.9418262895958371
Energy: 0.9770156697605814
Energy: 0.9230178092418575
Energy: 0.9326757268145096
Energy: 0.9772175139551117
Energy: 0.9243201871994795
Energy: 0.9315868078372102
Energy: 0.9833269169670518
Energy: 0.9266065315526987
Energy: 0.9251422574202021
Energy: 0.9846651063331522
Energy: 0.9274820855242718
Energy: 0.9610616758705223
Energy: 0.9767667481320935
Energy: 0.9256447418788241
Energy: 0.9246595446056606
Energy: 0.9571330000532554
Energy: 0.9265055911202661
Energy: 0.925653270723117
Energy: 0.9908394444213521
Energy: 0.9771370021733666
Energy: 0.9773295985269342
Energy: 0.9915610867796738
Energy: 0.9780412723211647
Energy: 0.9772836322072583
Energy: 1.0365239930632348
Energy: 0.9296482250724056
Energy: 0.9420060975993297
Energy: 0.9332833527886406
Energy: 0.9350183573318307
Energy: 0.9436486149205904
Energy: 1.0372591881918583
Energy: 0.9430611701679816
Energy: 0.9432016987470931
Energy: 1.0373946408105745
Energy: 0.9434745645137433
Energy: 0.944140457844166
Energy: 1.037516972079657
Energy: 0.9372506980813772
Energy: 0.9659561024176723
Energy: 1.0377234323906446
Energy: 0.9375161070625188
Energy: 1.020361782870789
Energy: 1.198528939148225
Energy: 0.9646644867478235
Energy: 0.9650834785909197
Energy: 1.023803244069111
Energy: 1.0418365780764176
Energy: 0.9747379564986024
Energy: 0.9877894628909628
Energy: 1.1859938936282624
Energy: 1.185629190503344
Energy: 1.0213022227240733
Energy: 1.1889343637998135
Energy: 1.0218455177309953
Energy: 1.0180620492520103
Energy: 1.1238859459968005
Energy: 1.014917631636622
Energy: 0.9687380837318371
Energy: 1.1575504755176498
Energy: 0.9979825517304209
Energy: 1.03667036646877
Energy: 1.1499977562440522
Energy: 1.1468250829329614
Energy: 1.0564020806399579
Energy: 1.1914919654173532
Energy: 1.0727145522246984
Energy: 1.3262735279090203
Energy: 0.9833306803277617
Energy: 1.125276391074242
Energy: 1.2600019149763975
Energy: 0.9819712300072438
Energy: 1.1482479192617172
Energy: 1.4240266850124261
Energy: 1.065781139434169
Energy: 1.145881671352213
Energy: 1.1881670946833727
Energy: 1.0543728397695498
Energy: 1.1155982194371268
Energy: 0.9965408268141038
Energy: 1.148597010285171
Energy: 1.1466631229266502
Energy: 0.9988403646263634
Energy: 1.183593591194013
Energy: 1.257467045447502

minimum gb energy = 0.9230178092418575 eV
minimum distance =  2.27574457885955 Angstroms
sigma value = 57


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

Energy: 0.9038722934367541
Energy: 1.2544747963720337
Energy: 1.0174214781450854
Energy: 0.8862841530048853
Energy: 1.536053687947085
Energy: 1.0016159149426855
Energy: 1.2678234711553635
Energy: 1.0991614227980189
Energy: 0.9287096333693206
Energy: 1.1361385563930027
Energy: 1.143595665230255
Energy: 1.0204551799653716
Energy: 1.331312788904974
Energy: 0.8846952813582396
Energy: 0.885369995314678
Energy: 1.1445758325512443
Energy: 0.8864723603033189
Energy: 0.9492689439315619
Energy: 1.138607149556348
Energy: 0.8848389948131431
Energy: 0.9896076157068381
Energy: 1.1400093491672691
Energy: 0.8963363782699156
Energy: 1.0041447370197585
Energy: 0.9880281499160215
Energy: 0.9282628980463223
Energy: 0.9166722494171232
Energy: 0.9887267892944543
Energy: 0.971818326391245
Energy: 0.9201531258749871
Energy: 0.906900080189036
Energy: 0.9983010796965335
Energy: 0.8824996427861802
Energy: 0.8550163273158677
Energy: 0.9977986452411076
Energy: 0.8834750924975756
Energy: 0.9255838329156357
Energy: 1.0074566593843757
Energy: 0.99724259157341
Energy: 0.869402830297251
Energy: 1.004678431283639
Energy: 0.8693722703262611
Energy: 1.2119665748043171
Energy: 0.851858291667795
Energy: 0.8513827873637557
Energy: 0.8710292637454548
Energy: 0.8528830597142597
Energy: 0.8673288074836742
Energy: 0.9283646199046479
Energy: 0.8710029597477236
Energy: 0.9088452889903472
Energy: 0.9297962824664807
Energy: 0.9336792974270682
Energy: 0.9241262349836208
Energy: 0.9244798951940112
Energy: 0.8661002297284559
Energy: 0.8651217105886552
Energy: 0.9248355250292828
Energy: 0.8661841932625578
Energy: 0.8644466694310434
Energy: 0.9181695440858567
Energy: 0.8920116754856358
Energy: 0.8466238902323593
Energy: 0.8439787867849297
Energy: 0.8927110831505961
Energy: 0.8467323728689596
Energy: 0.9298539110698093
Energy: 0.9028525561172708
Energy: 0.8917406113604086
Energy: 0.9330050959303063
Energy: 0.8993589212185534
Energy: 0.8565992390472011
Energy: 0.8909029481252119
Energy: 0.9156105395474358
Energy: 0.8472296054454957
Energy: 0.8475311441592467
Energy: 0.9160086213247977
Energy: 0.8650994443369848
Energy: 0.8925206421596905
Energy: 0.8523937931043347
Energy: 0.8927718472905275
Energy: 0.895174651614925
Energy: 0.9078492599539748
Energy: 0.891921688902961
Energy: 0.8919634084420407
Energy: 0.8485382520993772
Energy: 0.8478080272744918
Energy: 0.8917022811221976
Energy: 0.849561875797387
Energy: 0.8476790556396055
Energy: 0.9465037897480364
Energy: 0.9248670762378667
Energy: 0.8598931565035888
Energy: 0.8624452970369312
Energy: 0.9394844810338776
Energy: 0.8586900484009893
Energy: 0.944357230847491
Energy: 0.9250660974271911
Energy: 0.9245018367013503
Energy: 0.9109032399699983
Energy: 0.933725876596374
Energy: 0.867500206628953
Energy: 0.8962457980837325
Energy: 0.8755533880848522
Energy: 0.8663695087267547
Energy: 0.8979195406165479
Energy: 0.8672136138511185
Energy: 0.8668609100233277
Energy: 0.9982940822527278
Energy: 0.877495199379026
Energy: 0.9352958193904198
Energy: 1.0004646868487455
Energy: 0.883739020818081
Energy: 0.9973841472860338
Energy: 1.1322909750874568
Energy: 0.8846990537405385
Energy: 0.8955205510482278
Energy: 0.9244360725718652
Energy: 0.8836459345178241
Energy: 0.9244128939113399
Energy: 1.2545234395210478
Energy: 0.9693969130695717
Energy: 0.9262746789956994
Energy: 0.9710658287057443
Energy: 0.9741424450575931
Energy: 0.9244383197360873
Energy: 0.9471639470043038
Energy: 1.135351185096823
Energy: 0.9972152732515902
Energy: 0.8718817028074856
Energy: 1.148126812569488
Energy: 0.9230010327460864
Energy: 0.9298196661524224
Energy: 1.0421789673925914
Energy: 1.044902391196997
Energy: 0.9320524847209349
Energy: 1.139038434228047
Energy: 1.0154642107989544
Energy: 1.2467562756816732
Energy: 0.9748981067480356
Energy: 0.9043907006061734
Energy: 1.1747327789496769
Energy: 0.990681055107066
Energy: 0.9306121636541624
Energy: 1.3382635401390162
Energy: 0.9255515649922389
Energy: 0.9285169614974168
Energy: 1.1389479120783899
Energy: 0.9150785068834022
Energy: 1.0941074006041713
Energy: 1.3271804454915632
Energy: 1.031949384916286
Energy: 1.0287049833280815
Energy: 1.1442793007315397
Energy: 1.1421905841417714
Energy: 0.9153259613970065
Energy: 0.8997471452235186
Energy: 1.1150519525426121
Energy: 1.007357877268291
Energy: 0.8895685535711383
Energy: 1.1010298033207992
Energy: 0.9603841926308595

minimum gb energy = 0.8439787867849297 eV
minimum distance =  2.30870176158586 Angstroms
sigma value = 43


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

Energy: 0.7704687246617159
Energy: 1.0111606293751083
Energy: 0.889716066878458
Energy: 0.7585900800351961
Energy: 1.017012704952469
Energy: 0.8554789211412945
Energy: 1.0936493320547178
Energy: 0.7696514125307289
Energy: 0.7781728938870842
Energy: 0.9401083412754491
Energy: 0.842232705987327
Energy: 0.7626077322724829
Energy: 1.1411680592460223
Energy: 0.7416709250094897
Energy: 0.761723159243007
Energy: 0.991855411292599
Energy: 0.7405901702065664
Energy: 0.7624862341867203
Energy: 0.9957391633700964
Energy: 0.7619791889886433
Energy: 0.7642912628042572
Energy: 0.8464745659654351
Energy: 0.8480695580217874
Energy: 0.8696955086364259
Energy: 0.9267118226829464
Energy: 0.7810467587276376
Energy: 0.7690874506541007
Energy: 0.8303429336906304
Energy: 0.8363633651759597
Energy: 0.7712436651077349
Energy: 0.7475367803883392
Energy: 0.8844409592708934
Energy: 0.7522129175015662
Energy: 0.720467976160851
Energy: 0.8836346922189546
Energy: 0.7465254912948743
Energy: 0.9939492642702278
Energy: 0.8838685577706041
Energy: 0.8837164711275615
Energy: 0.7365467058665771
Energy: 0.8838807115204844
Energy: 0.7346987379136719
Energy: 1.0482590139182482
Energy: 0.7150156334257172
Energy: 0.7233586485553055
Energy: 0.739023467009004
Energy: 0.7153282058060205
Energy: 0.7229391813152367
Energy: 0.8224543191459717
Energy: 0.723954059369465
Energy: 0.7841432485698491
Energy: 0.8248168509003203
Energy: 0.7628502180859924
Energy: 0.818801455457689
Energy: 0.7952930449837751
Energy: 0.7150059264487578
Energy: 0.7158313092943362
Energy: 0.8193532059868153
Energy: 0.7152366696410659
Energy: 0.7156106407093179
Energy: 0.7420481563389941
Energy: 0.7784550899257777
Energy: 0.7127680998142557
Energy: 0.706253289488592
Energy: 0.7787588683298226
Energy: 0.7062853770007481
Energy: 0.8197582036576883
Energy: 0.7790817364719129
Energy: 0.7783983722752044
Energy: 0.7697956383838793
Energy: 0.7792865460687703
Energy: 0.7249869719547725
Energy: 1.008525044790755
Energy: 0.7433538732914837
Energy: 0.789315705436178
Energy: 0.7866391089132442
Energy: 0.6987917628252932
Energy: 0.788445498306629
Energy: 0.7553188567610698
Energy: 0.7019471348835291
Energy: 0.7547944164992004
Energy: 0.7576682940922175
Energy: 0.7453939212464542
Energy: 0.7551901636101604
Energy: 0.7548761249406407
Energy: 0.7003249511190653
Energy: 0.7060328925344879
Energy: 0.7548736301510878
Energy: 0.7008017267349663
Energy: 0.7031511230793315
Energy: 0.7464314651887686
Energy: 0.7443736735012463
Energy: 0.7287368582667545
Energy: 0.6994345070342531
Energy: 0.744514076907348
Energy: 0.6987194561842043
Energy: 0.7607598063231925
Energy: 0.7443136673680115
Energy: 0.7439639821339552
Energy: 0.7417847570930636
Energy: 0.7443427442441469
Energy: 0.7031587984768418
Energy: 0.7442357993924853
Energy: 0.7035996609266674
Energy: 0.7036648584243091
Energy: 0.7444353660376082
Energy: 0.771363572820301
Energy: 0.7036006234994806
Energy: 0.7447501780245837
Energy: 0.7347774567070499
Energy: 0.743559172530211
Energy: 0.7457728881311331
Energy: 0.8359751668151367
Energy: 0.7443365824054464
Energy: 0.7451472406249491
Energy: 0.7121449358157648
Energy: 0.7117480115937098
Energy: 0.7446615434181582
Energy: 0.7748754177958008
Energy: 0.7116476159153694
Energy: 0.7836630832926461
Energy: 0.755442206808811
Energy: 0.7548718747735091
Energy: 0.7107147325581792
Energy: 0.7560112292137445
Energy: 0.71165968221464
Energy: 0.7468172391849078
Energy: 0.7555651864232672
Energy: 0.7404806503420428
Energy: 0.7030299134050758
Energy: 0.7555430691665025
Energy: 0.7021776299928948
Energy: 0.7785147649003734
Energy: 0.7031584771744789
Energy: 0.7039402810763321
Energy: 0.77870971409064
Energy: 0.7033800160890701
Energy: 0.7046675348102346
Energy: 0.7792717145227083
Energy: 0.722294911962623
Energy: 0.7787390382579409
Energy: 0.7816212526855718
Energy: 0.8253043518000807
Energy: 0.7790140056415248
Energy: 1.024409000632428
Energy: 0.7505231549027817
Energy: 0.7612237269917222
Energy: 0.807070749702821
Energy: 0.706702663241604
Energy: 0.7604204962529735
Energy: 0.8882200826923101
Energy: 0.8190793963920759
Energy: 0.8191150281870093
Energy: 0.7280958389219141
Energy: 0.8193384727943751
Energy: 0.728053145622398
Energy: 0.7457250994107144
Energy: 0.8189643214438156
Energy: 0.7352983301780994
Energy: 0.7137475206211789
Energy: 0.8188989014785267
Energy: 0.7183386772848147
Energy: 0.8604677125919127
Energy: 0.7374915663468186
Energy: 0.7378258749743746
Energy: 0.7897807501274509
Energy: 0.7871977746444881
Energy: 0.7369863807694466
Energy: 0.8875713917014874
Energy: 0.7421583238297788
Energy: 0.7825335847363523
Energy: 0.8895221392794215
Energy: 0.7489441192071992
Energy: 0.8836069214776981
Energy: 1.0798339178126064
Energy: 0.7282707922652651
Energy: 0.7416322004676557
Energy: 0.8403817435953247
Energy: 0.7283252098050293
Energy: 0.7412496318883398
Energy: 1.0786127757719624
Energy: 0.8387882028543271
Energy: 0.8394407547936577
Energy: 0.8387145032571434
Energy: 0.8419313806902313
Energy: 0.7791802421597881
Energy: 0.7576358378516367
Energy: 0.9918770184917969
Energy: 0.7872435697102897
Energy: 0.7353277729336519
Energy: 0.9915630148571183
Energy: 0.7736559755027259
Energy: 0.9923535363403453
Energy: 0.8506569507138717
Energy: 0.8447100681984856
Energy: 0.8425620971319878
Energy: 0.8838002752284471
Energy: 0.8448071214231971
Energy: 1.078989835681184
Energy: 0.7885349549152655
Energy: 0.795719924599102
Energy: 0.8462126141058316
Energy: 0.9412194110759026
Energy: 0.9193780060601301
Energy: 1.1414105759055033
Energy: 0.7632024901815863
Energy: 0.7973673393333599
Energy: 0.991973242775287
Energy: 0.7620811131731782
Energy: 0.8522667404311789
Energy: 1.0936493307322728
Energy: 0.8592826083875751
Energy: 0.849813798290884
Energy: 0.9404910660020986
Energy: 0.9393224789492114
Energy: 0.8458171141316815

minimum gb energy = 0.6987194561842043 eV
minimum distance =  2.3042778221712 Angstroms
sigma value = 81


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

Energy: 0.04589856568493164
Energy: 0.10106760510504023
Energy: 0.04633771076971365
Energy: 0.049108697048788404
Energy: 0.04954955488333061
Energy: 0.04677555644221859
Energy: 0.1020095027749024
Energy: 0.04900079119493168
Energy: 0.049037977009863384
Energy: 0.10327116613373426
Energy: 0.054671334581834395
Energy: 0.04915574164227848
Energy: 0.10220386673199014
Energy: 0.04666324469821885
Energy: 0.04678764436185092
Energy: 0.10164914442906706
Energy: 0.046704765882678294
Energy: 0.10072240874448785
Energy: 0.053515918299434556
Energy: 0.04710584505330591
Energy: 0.04691887769263321
Energy: 0.05540618307192512
Energy: 0.04671439781423712
Energy: 0.10139810509470544
Energy: 0.10076800069404449
Energy: 0.10199154858267055
Energy: 0.10194500816052993
Energy: 0.1020331370249283
Energy: 0.10188134153810903
Energy: 0.10211595554222268
Energy: 0.04780352016015765
Energy: 0.049099886680743915
Energy: 0.046648046424581126
Energy: 0.04943850331220736
Energy: 0.04883755109533176
Energy: 0.0469415647881816
Energy: 0.10278790629524517
Energy: 0.04903420952111336
Energy: 0.04900489429764337
Energy: 0.10256720794617856
Energy: 0.04972300306030823
Energy: 0.049017011131659835
Energy: 0.10214321895265172
Energy: 0.046670472517238326
Energy: 0.046932330162426227
Energy: 0.10198225537148732
Energy: 0.04673367966400794
Energy: 0.10392829667073872
Energy: 0.04985621002765782
Energy: 0.04678657357703267
Energy: 0.1031719454696352
Energy: 0.052516158554058556
Energy: 0.046823922043207115
Energy: 0.1033969296890559
Energy: 0.046563678289362635
Energy: 0.10129800978466276
Energy: 0.10150825379890074
Energy: 0.04647569458614537
Energy: 0.10110918874610798
Energy: 0.10143713323723696

minimum gb energy = 0.04589856568493164 eV
minimum distance =  2.4406603262846 Angstroms
sigma value = 3


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

Energy: 0.9006369597240267
Energy: 0.9146641077511893
Energy: 0.8748304583657605
Energy: 0.8404111305612044
Energy: 0.8673997042994498
Energy: 0.8439208705998084
Energy: 0.9093438952733073
Energy: 0.8789564634652051
Energy: 0.8783106740374318
Energy: 0.880341646535694
Energy: 0.8844563780352854
Energy: 0.8831800145159098
Energy: 0.9092174708877357
Energy: 0.8468208628456252
Energy: 0.8465696229090509
Energy: 0.8883819061625163
Energy: 0.8486470013762806
Energy: 0.8622213816845545
Energy: 0.8574407591714939
Energy: 0.847158305861286
Energy: 0.8467707840053728
Energy: 0.857208158489518
Energy: 0.7847042626581993
Energy: 0.8633771935920059
Energy: 0.7849185309828577
Energy: 0.8833578064710139
Energy: 0.8849010796189628
Energy: 0.7850685912408178
Energy: 0.8820547482719172
Energy: 0.8840675642341748
Energy: 0.838682638922213
Energy: 0.8810393181890165
Energy: 0.8632586937703177
Energy: 0.7283665388415143
Energy: 0.8798811716723655
Energy: 0.824030654381132
Energy: 0.8593780369855617
Energy: 0.8024109068199248
Energy: 0.8523419530148533
Energy: 0.8578071806829812
Energy: 0.8063666132749658
Energy: 0.8568951259918428
Energy: 0.8565208417120159
Energy: 0.8380792389184447
Energy: 0.8387886423992675
Energy: 0.8566528111475833
Energy: 0.8027838061613674
Energy: 0.8081876475849665
Energy: 0.8757104582020787
Energy: 0.8382811959825714
Energy: 0.8763183585723109
Energy: 0.8791939342050591
Energy: 0.8038748112059161
Energy: 0.8767573436885189
Energy: 0.8125618688227739
Energy: 0.7984991115419057
Energy: 0.7985104547125307
Energy: 0.8122353365958898
Energy: 0.8031542216527149
Energy: 0.8213376106243182
Energy: 0.8356284344469871
Energy: 0.8505934222132735
Energy: 0.8520329720890182
Energy: 0.7114363129258469
Energy: 0.8476465933104652
Energy: 0.8145046497707957
Energy: 0.7516140738540733
Energy: 0.8561691714151227
Energy: 0.8578222315592874
Energy: 0.7512603072013824
Energy: 0.855105015853943
Energy: 0.7499823600041445
Energy: 0.750925677328481
Energy: 0.798835274732025
Energy: 0.8248602498337094
Energy: 0.7511442406657727
Energy: 0.8004909611011406
Energy: 0.7883419569614627
Energy: 0.8269377917981916
Energy: 0.7940417100673202
Energy: 0.8231911548191934
Energy: 0.8223365480735702
Energy: 0.7777307168263822
Energy: 0.8270679194209802
Energy: 0.8236151520327023
Energy: 0.7150779221040573
Energy: 0.7149265701182602
Energy: 0.8235655827164611
Energy: 0.7215234695872399
Energy: 0.7141087896395819
Energy: 0.8237424174750404
Energy: 0.8056525472352621
Energy: 0.8091867306182811
Energy: 0.8064800727900746
Energy: 0.8172634729148675
Energy: 0.8093102841268557
Energy: 0.7079944436215038
Energy: 0.8103215490801102
Energy: 0.8089215021754186
Energy: 0.6999154791060935
Energy: 0.8070235229269389
Energy: 0.6977980093284598
Energy: 0.6992671054808535
Energy: 0.8006466751339679
Energy: 0.800797123053982
Energy: 0.6993151941706838
Energy: 0.8013826339143412
Energy: 0.8017436982026751
Energy: 0.8112513157205292
Energy: 0.7561477669183392
Energy: 0.7998138707092635
Energy: 0.756631003153259
Energy: 0.7550572055184976
Energy: 0.8001554113309952
Energy: 0.8180386775432837
Energy: 0.6978822896256415
Energy: 0.697095482258114
Energy: 0.8178856578951664
Energy: 0.7083732226479534
Energy: 0.6970595988720805
Energy: 0.8178949361307271
Energy: 0.8060789122589354
Energy: 0.8104695448008212
Energy: 0.8183411614402887
Energy: 0.830858758743835
Energy: 0.8083517907906305
Energy: 0.7195416925570061
Energy: 0.806719029496931
Energy: 0.8076907856868891
Energy: 0.71577656503564
Energy: 0.8080647661760785
Energy: 0.7151751923078822
Energy: 0.7172231021849311
Energy: 0.822343088541826
Energy: 0.8225739830170865
Energy: 0.7172927498854788
Energy: 0.8223322661597229
Energy: 0.8230056169860763
Energy: 0.8290443749610641
Energy: 0.7509949395145158
Energy: 0.7971496116795512
Energy: 0.8098899580644133
Energy: 0.7501474139678872
Energy: 0.8097002814161867
Energy: 0.8625725141294099
Energy: 0.7517999838026593
Energy: 0.7507047717509293
Energy: 0.8520422929541277
Energy: 0.7569549645266446
Energy: 0.7502838998130109
Energy: 0.8518864736673357
Energy: 0.8300390608620912
Energy: 0.8300264947407843
Energy: 0.8528688824572136
Energy: 0.7973843841638053
Energy: 0.8517017715212299
Energy: 0.8021788101034915
Energy: 0.8289914413394021
Energy: 0.8294132784006735
Energy: 0.8018221926547163
Energy: 0.8555717936701506
Energy: 0.7997674458741464
Energy: 0.7665628459476189
Energy: 0.8833671194490406
Energy: 0.8827700943930299
Energy: 0.7665945772011575
Energy: 0.8839833546421082
Energy: 0.8820645138770545
Energy: 0.842384833230947
Energy: 0.8589344301506022
Energy: 0.8429120504628176
Energy: 0.7155090410259258
Energy: 0.8594952866391404
Energy: 0.8194319008250367
Energy: 0.8029204254765242
Energy: 0.8610217242053999
Energy: 0.8620576280134679
Energy: 0.802758986609103
Energy: 0.8564258377266953
Energy: 0.857230088002197
Energy: 0.9462738430397388
Energy: 0.8445872044596189
Energy: 0.8453634671436152
Energy: 0.946991441972311
Energy: 0.8041719233997525
Energy: 0.8466504725030114
Energy: 0.9114210947288577
Energy: 0.8461123094199219
Energy: 0.8873028205044682
Energy: 0.8792776043626025
Energy: 0.7959386857877797
Energy: 0.8814896715128042
Energy: 0.8016235680725585
Energy: 0.8543045992057343
Energy: 0.8527047899062578
Energy: 0.80157354268256
Energy: 0.8657618115257547
Energy: 0.8403777573634947

minimum gb energy = 0.6970595988720805 eV
minimum distance =  2.28076962329471 Angstroms
sigma value = 67


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

Energy: 1.0911918732158725
Energy: 1.088313938893356
Energy: 1.073764392803612
Energy: 1.0510554015818272
Energy: 1.0812835876354876
Energy: 1.0720388505292267
Energy: 1.0584983405006536
Energy: 1.0758595739387085
Energy: 1.0692481367172808
Energy: 1.073090657733145
Energy: 1.079737663529755
Energy: 1.0654534120281987
Energy: 1.1063660848702115
Energy: 1.039395826556922
Energy: 1.052882845285958
Energy: 1.0588512613516878
Energy: 1.0393705482316835
Energy: 1.0538017287456036
Energy: 1.0298572759842262
Energy: 1.0558096459819277
Energy: 1.0524954647815052
Energy: 1.0316459656575032
Energy: 1.052017126455142
Energy: 1.0531684182642538
Energy: 1.0208680077291474
Energy: 1.072486578783223
Energy: 1.0648501520873195
Energy: 1.020923466320743
Energy: 1.0804926377655202
Energy: 1.0662517838915162
Energy: 1.025968265997017
Energy: 1.0559407963397018
Energy: 1.0441330394958062
Energy: 0.9536700752067436
Energy: 1.056140170620567
Energy: 1.0443985551257968
Energy: 1.021796406973276
Energy: 1.0334048197663115
Energy: 1.0268342634687406
Energy: 1.021907496244915
Energy: 1.028594807401217
Energy: 1.0231160846797864
Energy: 1.0251181719496747
Energy: 1.020336780814834
Energy: 1.0289759490128805
Energy: 1.024864594079056
Energy: 0.9130620620856735
Energy: 1.022274462273157
Energy: 1.0442386828500276
Energy: 1.0562467753945535
Energy: 1.0543704468878892
Energy: 1.0538798616499905
Energy: 0.9514954345720871
Energy: 1.0580672396244963
Energy: 1.048230378106622
Energy: 0.9596304187268294
Energy: 0.9534633737502562
Energy: 1.049607334780825
Energy: 0.957007383717635
Energy: 0.9550256029064044
Energy: 1.0419129211673555
Energy: 1.0266886376628457
Energy: 1.0316509109234244
Energy: 0.9123448897416949
Energy: 1.023744871576791
Energy: 1.0335026543869357
Energy: 0.9090443411947017
Energy: 1.0309894119586114
Energy: 1.03015368563993
Energy: 0.909398593864354
Energy: 0.983587892503122
Energy: 0.9098009391632189
Energy: 0.9109368139556674
Energy: 1.0194164378426205
Energy: 1.017985470738143
Energy: 0.9109924519058016
Energy: 0.9159637928666948
Energy: 0.9107694280001652
Energy: 1.0192297140455029
Energy: 1.021516857918975
Energy: 1.0167352049024525
Energy: 0.9124943866525864
Energy: 0.9748854104736474
Energy: 1.0156183556737004
Energy: 1.022145909673671
Energy: 0.9162364034109107
Energy: 0.9103833319430865
Energy: 1.020756266636275
Energy: 0.915186927944339
Energy: 0.9108724592832574
Energy: 1.0218807428455539
Energy: 1.0356167188757952
Energy: 1.029650042277786
Energy: 1.0304514180341222
Energy: 0.9831008988373849
Energy: 1.0265060058096798
Energy: 0.961227180596146
Energy: 1.0187749369809833
Energy: 1.0150877140242867
Energy: 0.9540883362127337
Energy: 0.9628023501591328
Energy: 0.9535545817392703
Energy: 0.9498471352823217
Energy: 1.0583175995625191
Energy: 1.0613132024776453
Energy: 0.9501209392563094
Energy: 1.0572390811291033
Energy: 1.0231552718070824
Energy: 1.0151674030872486
Energy: 1.04354759100204
Energy: 1.0351372875596883
Energy: 0.9259979179190685
Energy: 1.0432903929676303
Energy: 1.0353337784981194
Energy: 1.0243367333614517
Energy: 1.033324286583086
Energy: 1.0236268129398955
Energy: 1.0237750509131216
Energy: 1.031407661127858
Energy: 1.0217170779688503
Energy: 1.0262306671214825
Energy: 1.0610458140405157
Energy: 1.0554576368364403
Energy: 1.026296502970296
Energy: 1.031143252180214
Energy: 1.0601816081002517
Energy: 1.106553013559112
Energy: 1.0270469265474
Energy: 1.055485040752571
Energy: 1.0593840232049032
Energy: 1.0275408666369392
Energy: 1.0581157843282742
Energy: 1.058414919912298
Energy: 1.0339261760177303
Energy: 1.0301093543836615
Energy: 1.05804867089604
Energy: 1.028986709407772
Energy: 1.0290689428352247

minimum gb energy = 0.9090443411947017 eV
minimum distance =  2.27858882531693 Angstroms
sigma value = 33


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

Energy: 1.2746567067855852
Energy: 1.2652009094041883
Energy: 1.2557840538696337
Energy: 1.1992703407314211
Energy: 1.2509799710640366
Energy: 1.2075836647302725
Energy: 1.192644124193731
Energy: 1.1481805813803267
Energy: 1.1469288524500576
Energy: 1.1439774852018632
Energy: 1.2539104448816474
Energy: 1.0759843850266122
Energy: 1.26807354116328
Energy: 1.1775290560787675
Energy: 1.1945462343527988
Energy: 1.2196451069920624
Energy: 1.180732824896649
Energy: 1.1935436444126295
Energy: 1.2307819221258958
Energy: 1.2047617887727615
Energy: 1.1971442296257002
Energy: 1.231199610482724
Energy: 1.1956196958643717
Energy: 1.197040835150893
Energy: 1.1466751158846757
Energy: 1.1545418755917687
Energy: 1.066445624405694
Energy: 1.146866600491216
Energy: 1.2315558759379006
Energy: 1.0754004895254465
Energy: 1.1887527220491505
Energy: 1.2126809103380545
Energy: 1.0626888997948372
Energy: 1.0554390944670635
Energy: 1.21307997244668
Energy: 1.1740359052991312
Energy: 1.14812636264306
Energy: 1.1464580432598281
Energy: 1.1468463576804984
Energy: 1.1475404612942472
Energy: 1.145612863822343
Energy: 1.1379123700182336
Energy: 1.1453252027417253
Energy: 1.0640300627810133
Energy: 1.1817319736199308
Energy: 1.1456080169710947
Energy: 1.0719982137393138
Energy: 1.1402227332976909
Energy: 1.1738975948750598
Energy: 1.1802194818390486
Energy: 1.1807806401670855
Energy: 1.0750407751278392
Energy: 1.067033792847677
Energy: 1.190866689984783
Energy: 1.1716918560103318
Energy: 1.064291866609853
Energy: 1.0638774785716776
Energy: 1.1726911894639853
Energy: 1.0666195852352505
Energy: 1.0646750147605248
Energy: 1.17354971692136
Energy: 1.1441411726472677
Energy: 1.1723341481287515
Energy: 1.0707502460178302
Energy: 1.1202364080601226
Energy: 1.171035284654517
Energy: 1.064276919232783
Energy: 1.11204886387232
Energy: 1.1683515943123957
Energy: 1.0641171911705802
Energy: 1.1610793590560915
Energy: 1.0651291697197698
Energy: 1.0666810921654886
Energy: 1.1854054283086164
Energy: 1.192874236840903
Energy: 1.0643040300686246
Energy: 1.1863959834171423
Energy: 1.0655978847973568
Energy: 1.1810592020154504
Energy: 1.0732545218971095
Energy: 1.1856878656902965
Energy: 1.0428705310690547
Energy: 1.170436279197647
Energy: 1.160268027440738
Energy: 1.188039724973461
Energy: 1.1478170170113307
Energy: 1.137356111395331
Energy: 1.0405731147163275
Energy: 1.1476125566442397
Energy: 1.137237343356954
Energy: 1.2241095881396695
Energy: 1.1840078849340576
Energy: 1.1827633477666566
Energy: 1.2263499079554228
Energy: 1.0843495785519464
Energy: 1.1437175640258903
Energy: 1.2648691737186708
Energy: 1.0845770596448454
Energy: 1.185845795335334
Energy: 1.2195089941090678
Energy: 1.090706073723693
Energy: 1.185539634871927
Energy: 1.2936825175152271
Energy: 1.148744287600316
Energy: 1.149334383540435
Energy: 1.2337232791944914
Energy: 1.1417097526251985
Energy: 1.2284502102324184
Energy: 1.1916701752188097
Energy: 1.2193206315100662
Energy: 1.217743769080258
Energy: 1.0764332587218797
Energy: 1.2189565579279185
Energy: 1.1732671156973133
Energy: 1.1924509045509886
Energy: 1.1535221851753628
Energy: 1.1486045356065255
Energy: 1.192617562035893
Energy: 1.2325002784552048
Energy: 1.0750783381381717
Energy: 1.2689661575474387
Energy: 1.209989135274675
Energy: 1.2099038855708302
Energy: 1.2211252649533395
Energy: 1.2101382881619374
Energy: 1.2109322191576686
Energy: 1.2185947955465002
Energy: 1.1770450056615458
Energy: 1.1934607978533074
Energy: 1.2189379840467718
Energy: 1.1798796071551771
Energy: 1.1939398099325467
Energy: 1.1475414131578825
Energy: 1.148679911146758
Energy: 1.0737254059001722
Energy: 1.147916683244934
Energy: 1.153090105245175
Energy: 1.0770597805217867
Energy: 1.1872608762426422
Energy: 1.21362249756187
Energy: 1.2131739934914898
Energy: 1.0612388643652344
Energy: 1.2135943635103257
Energy: 1.1720798549089433
Energy: 1.1461703030027786
Energy: 1.0674505363259965
Energy: 1.0709712047710516
Energy: 1.146319672539449
Energy: 1.0648607378864994
Energy: 1.2204596987717513
Energy: 1.1461429221089725
Energy: 1.0641301370277219
Energy: 1.1803608997905732
Energy: 1.1461366312893624
Energy: 1.0719290107343884
Energy: 1.1408008495922537
Energy: 1.171840137534545
Energy: 1.1460871106359527
Energy: 1.1813668323697653
Energy: 1.174681224164843
Energy: 1.1570906204527773
Energy: 1.1914776720625093
Energy: 1.171710726724945
Energy: 1.065232200631781
Energy: 1.0644839374046973
Energy: 1.174390670608329
Energy: 1.0666582896240442
Energy: 1.0645599931813983
Energy: 1.1741304828080026
Energy: 1.1218061734907279
Energy: 1.165816447623854
Energy: 1.0714755721244111
Energy: 1.1205989969310932
Energy: 1.1678110266351907
Energy: 1.064266774154518
Energy: 1.167884014513573
Energy: 1.1679784393124495
Energy: 1.064046353020368
Energy: 1.1667572655925387
Energy: 1.0636933587366684
Energy: 1.066996570873319
Energy: 1.1833957273714588
Energy: 1.1369115909586616
Energy: 1.0666654606274502
Energy: 1.183340286131373
Energy: 1.0661154376581332
Energy: 1.1813511382084432
Energy: 1.0772232233104162
Energy: 1.1848021191025873
Energy: 1.0349619492631605
Energy: 1.1769940126913838
Energy: 1.1670968921475318
Energy: 1.1800321506284164
Energy: 1.1466623922420784
Energy: 1.1376345711537408
Energy: 1.1790764245155767
Energy: 1.1488829204813218
Energy: 1.1380747621107026
Energy: 1.138564052237937
Energy: 1.188981279527233
Energy: 1.1380897121236246
Energy: 1.1399151469577586
Energy: 1.08355676260336
Energy: 1.1397334103055223
Energy: 1.3561475918717947
Energy: 1.0845984860573454
Energy: 1.1892976582836072
Energy: 1.221476371547952
Energy: 1.0314989028351782
Energy: 1.1837138621301462
Energy: 1.2791611774086158
Energy: 1.1428318381423073
Energy: 1.1465606691650043
Energy: 1.232074249721553
Energy: 1.141001130460277
Energy: 1.1383375072444197
Energy: 1.1880833509276545
Energy: 1.2198174134481399
Energy: 1.214608894343201
Energy: 1.0856225253374427
Energy: 1.2196534186192363
Energy: 1.1751838889877608

minimum gb energy = 1.0314989028351782 eV
minimum distance =  2.29741453751668 Angstroms
sigma value = 41


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

Energy: 1.4727455463380932
Energy: 1.4918272556789274
Energy: 1.4978801363152963
Energy: 1.249538954060192
Energy: 1.3110599034507036
Energy: 1.4477802359956478
Energy: 1.3472436168046544
Energy: 1.3182611012446956
Energy: 1.3186449743405637
Energy: 1.31635425124951
Energy: 1.317439262632106
Energy: 1.2804719477185287
Energy: 1.4803164057282545
Energy: 1.251549794998127
Energy: 1.2752476675334754
Energy: 1.3179823203699232
Energy: 1.2498208532737407
Energy: 1.3138660598692045
Energy: 1.321465336421859
Energy: 1.2519073731704102
Energy: 1.2740678905361797
Energy: 1.3152709789159813
Energy: 1.2528318090104709
Energy: 1.2910465620991896
Energy: 1.2897270647310166
Energy: 1.3206569656673366
Energy: 1.3210029214158687
Energy: 1.2900210141554613
Energy: 1.320319980422977
Energy: 1.2783553948366317
Energy: 1.3149509252708533
Energy: 1.3211982243344729
Energy: 1.2775126498745346
Energy: 1.3001876607202687
Energy: 1.3207917685495834
Energy: 1.253055003024839
Energy: 1.288702536096362
Energy: 1.2538390630001017
Energy: 1.2795761622383945
Energy: 1.2884725920985438
Energy: 1.2549048405572965
Energy: 1.2530778555073283
Energy: 1.2910927621767951
Energy: 1.2530223421583608
Energy: 1.2578326557418442
Energy: 1.292604672747573
Energy: 1.3036414528241256
Energy: 1.2881505329137342
Energy: 1.3623941604061691
Energy: 1.2563640709527168
Energy: 1.2526351180543815
Energy: 1.3674852882060586
Energy: 1.3223439830464874
Energy: 1.2504780054301101
Energy: 1.320573495916325
Energy: 1.2958410949701213
Energy: 1.2871295145716528
Energy: 1.300816933752521
Energy: 1.2895470927841735
Energy: 1.2520212384108267
Energy: 1.3260180182796946
Energy: 1.315252517633224
Energy: 1.254017191700433
Energy: 1.3216049716107394
Energy: 1.2246475523945821
Energy: 1.2532395553266487
Energy: 1.477406435575178
Energy: 1.2267429886691874
Energy: 1.2259927483105786
Energy: 1.3193189093754947
Energy: 1.2248624482879367
Energy: 1.3127073227888617
Energy: 1.4823697165644376
Energy: 1.2934155079428986
Energy: 1.3151137066662455
Energy: 1.3142139305144471
Energy: 1.2926909251204706
Energy: 1.2820766478191044
Energy: 1.4077190415318055
Energy: 1.3172150796109725
Energy: 1.2288995493078003
Energy: 1.233214017333412
Energy: 1.316912200549792
Energy: 1.2252115786592221

minimum gb energy = 1.2246475523945821 eV
minimum distance =  2.29477886462678 Angstroms
sigma value = 11


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

Energy: 1.5177314039760545
Energy: 1.84898072825649
Energy: 1.5328671570682602
Energy: 1.526842751945314
Energy: 1.669179630172249
Energy: 1.4644980641999836
Energy: 1.6049027974336427
Energy: 1.4471602851616934
Energy: 1.447570598410152
Energy: 1.5029022744614406
Energy: 1.446335214279034
Energy: 1.4757079245694726
Energy: 1.5635202842204194
Energy: 1.4694070607395793
Energy: 1.4701624336168335
Energy: 1.5854118114521614
Energy: 1.4368518245298803
Energy: 1.469984872867742
Energy: 1.533475420265805
Energy: 1.4329152272551289
Energy: 1.474606109746227
Energy: 1.4611283129100754
Energy: 1.4335149551821948
Energy: 1.4630134286347076
Energy: 1.4964518003150005
Energy: 1.4485518597353202
Energy: 1.4486821617089243
Energy: 1.4975427628703972
Energy: 1.4488531536329485
Energy: 1.4490671661324603
Energy: 1.526463201221534
Energy: 1.4758314553004914
Energy: 1.4482177995146706
Energy: 1.449121479622589
Energy: 1.4748394743639064
Energy: 1.4677707136188791
Energy: 1.474434816382486
Energy: 1.4679123934436302
Energy: 1.468256886861896
Energy: 1.47457229752191
Energy: 1.482507238535376
Energy: 1.4469558322718348
Energy: 1.471791087201366
Energy: 1.4330314381193094
Energy: 1.5177245906896069
Energy: 1.4494091913972011
Energy: 1.5085324697784552
Energy: 1.448455297102277
Energy: 1.4364885212685763
Energy: 1.4690428007804452
Energy: 1.483779559084635
Energy: 1.4479870484337358
Energy: 1.4805778070355309
Energy: 1.4646163774422392
Energy: 1.4727408621754379
Energy: 1.4752289601134496
Energy: 1.483778169856846
Energy: 1.4493912903712303
Energy: 1.475780549720126
Energy: 1.4526669502790235
Energy: 1.4725179048376198
Energy: 1.4759038782594065
Energy: 1.4905253452445755
Energy: 1.4488559650293025
Energy: 1.4566466516889545
Energy: 1.4480679339849507
Energy: 1.4492808987521941
Energy: 1.4682618860894752
Energy: 1.4856712779723789
Energy: 1.4495565706173381
Energy: 1.4677852613299864
Energy: 1.5231774781280076
Energy: 1.4457601719675701
Energy: 1.4576416094640583
Energy: 1.4510311755536156
Energy: 1.4460556140691954
Energy: 1.509400829914594
Energy: 1.4616706866618432
Energy: 1.4736297608176672
Energy: 1.593213718024618
Energy: 1.4881553496187576
Energy: 1.4617382474299243
Energy: 1.5801749980676318
Energy: 1.4844506325216702
Energy: 1.4356669034409197
Energy: 1.4510440318208517
Energy: 1.5112780859347825
Energy: 1.436321902908806
Energy: 1.4507703471022886
Energy: 1.5075722940972986
Energy: 1.4364512452897324
Energy: 1.5005230509064198
Energy: 1.4359101456623284
Energy: 1.438337200088842
Energy: 1.4668410744829472
Energy: 1.436039660423659
Energy: 1.4352976841330543
Energy: 1.4961269982680088
Energy: 1.487972346137018
Energy: 1.4355889635802288
Energy: 1.444499304721215
Energy: 1.487108377779196
Energy: 1.5002390687192013
Energy: 1.5523222842871318
Energy: 1.5110869581876163
Energy: 1.4623835525196505
Energy: 1.553589380234786
Energy: 1.461476601770173
Energy: 1.4636013877841625
Energy: 1.446026987279644
Energy: 1.4448869359221568
Energy: 1.4642939812456472
Energy: 1.4611408268365673
Energy: 1.4932997732290356
Energy: 1.4776471131896833
Energy: 1.4639127983118942
Energy: 1.462310998640003
Energy: 1.4776689189455563
Energy: 1.4725563976798541
Energy: 1.4883239884117323
Energy: 1.5503074847200808
Energy: 1.436132382366548
Energy: 1.4748769543010238
Energy: 1.4544803663035326
Energy: 1.4548953876817776
Energy: 1.4686885164873176
Energy: 1.471582298759141
Energy: 1.4799167374858895
Energy: 1.4678949460792496
Energy: 1.4424740334717503
Energy: 1.4545780568756401
Energy: 1.4678793671511126
Energy: 1.4743679971100365
Energy: 1.4740283544428399
Energy: 1.4691811805300772
Energy: 1.4784248681667493
Energy: 1.4724589034549458
Energy: 1.4694813440040253
Energy: 1.5512643741977832
Energy: 1.4663874443534373
Energy: 1.5010265422280529
Energy: 1.45953866372238
Energy: 1.4653323148462354
Energy: 1.4450463942151588
Energy: 1.5494243815478714
Energy: 1.4686583336009407
Energy: 1.4747213680654871
Energy: 1.5513709117659082
Energy: 1.4479563926499175
Energy: 1.474752808081333
Energy: 1.5526971974741473
Energy: 1.43855212908947
Energy: 1.4788966454014258
Energy: 1.4501695403885528
Energy: 1.4367886681854505
Energy: 1.5003715955909098
Energy: 1.5123500605046867
Energy: 1.4357831679430724
Energy: 1.4352446087690667
Energy: 1.4505898938567519
Energy: 1.4389810144749682
Energy: 1.4358911792294162
Energy: 1.5115154818340046
Energy: 1.456743477864046
Energy: 1.4364775856059564
Energy: 1.4478760577311358
Energy: 1.4455883355401342
Energy: 1.5104831900157436
Energy: 1.5535402023317524
Energy: 1.4665376369220067
Energy: 1.4758794406643059
Energy: 1.5539240253991353
Energy: 1.4470428969915783
Energy: 1.4840517965117397
Energy: 1.6951146380149413
Energy: 1.4468867394994154
Energy: 1.4436319157954236
Energy: 1.5114897216829677
Energy: 1.4459393608081699
Energy: 1.4634820257887702
Energy: 1.4949254771621692
Energy: 1.4519332750309306
Energy: 1.4876250488460312
Energy: 1.4634884142419833
Energy: 1.4503979265385547
Energy: 1.4910094901602287

minimum gb energy = 1.4329152272551289 eV
minimum distance =  2.26135626099018 Angstroms
sigma value = 57


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

Energy: 1.9608006712624246
Energy: 1.6271398756284972
Energy: 1.6180353748470049
Energy: 1.6218112453354983
Energy: 2.1238643950824407
Energy: 1.61897225711126
Energy: 1.432270935865009
Energy: 1.484115185048365
Energy: 1.4795249412640268
Energy: 1.4832562227148776
Energy: 1.4808802891129245
Energy: 1.4697546345244352
Energy: 1.5412665858229198
Energy: 1.5012182198115984
Energy: 1.5015425071330761
Energy: 1.5414513782767394
Energy: 1.506959902309728
Energy: 1.4712998902854457
Energy: 1.5279512274762643
Energy: 1.4825690080818594
Energy: 1.4678191917312384
Energy: 1.5289374353201841
Energy: 1.4671615022135531
Energy: 1.468260611376295
Energy: 1.4812142798940113
Energy: 1.479667165504577
Energy: 1.4847912477465226
Energy: 1.4796941412394315
Energy: 1.4720718574347575
Energy: 1.4718358829363984
Energy: 1.4705601815358365
Energy: 1.545920468717834
Energy: 1.5907380244194744
Energy: 1.4825076672838782
Energy: 1.547841721429906
Energy: 1.5278551392082067
Energy: 1.545674567441343
Energy: 1.4988936744148857
Energy: 1.5086226769502067
Energy: 1.547507973163086
Energy: 1.4928046530224754
Energy: 1.5912077553561885
Energy: 1.5419316740819176
Energy: 1.4789142010187766
Energy: 1.487169734807835
Energy: 1.4787424620231941
Energy: 1.4706955164578754
Energy: 1.4677762463086963
Energy: 1.4319706812882627
Energy: 1.5345049105564104
Energy: 1.4929863921145785
Energy: 1.4329779517034262
Energy: 1.5292253153773918
Energy: 1.5023344759963515
Energy: 1.43201844743527
Energy: 1.5355429826618796
Energy: 1.4958613995504737
Energy: 1.4327772705964077
Energy: 1.544100378860692
Energy: 1.505095106598511
Energy: 1.5420460518639088
Energy: 1.481164861389772
Energy: 1.48557937563473
Energy: 1.4793919403403268
Energy: 1.4688255576685678
Energy: 1.4673306674298092
Energy: 1.5300351945031738
Energy: 1.5705030679015377
Energy: 1.5679335327378654
Energy: 1.53151221989808
Energy: 1.5697309009927949
Energy: 1.4736238516357982
Energy: 1.4876358738152764
Energy: 1.481877805760664
Energy: 1.469269085191347
Energy: 1.4857800185496812
Energy: 1.4817087217280263
Energy: 1.4674831804980797
Energy: 1.4704838410809449
Energy: 1.543579482817375
Energy: 1.5284105094456046
Energy: 1.4903087395323908
Energy: 1.5445405499059954
Energy: 1.5282681631776507
Energy: 1.5456512752386342
Energy: 1.4972902692336503
Energy: 1.4745620766934016
Energy: 1.5459877360554808
Energy: 1.4927345795412603
Energy: 1.4679606529141327
Energy: 1.54254953670493
Energy: 1.4994915816407517
Energy: 1.507190339432461
Energy: 1.5428293713491925
Energy: 1.4943193607365985
Energy: 1.5283794904764998
Energy: 1.4323639953136516
Energy: 1.4849481462207257
Energy: 1.4797536350615135
Energy: 1.4328509415824011
Energy: 1.4830825340988565
Energy: 1.4876062131408327

minimum gb energy = 1.4319706812882627 eV
minimum distance =  2.29712923274734 Angstroms
sigma value = 9


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

Energy: 2.3683026511526433
Energy: 1.6367097982632517
Energy: 1.5701034044013678
Energy: 1.6016557486956058
Energy: 1.6647848844985698
Energy: 1.5539901235657378
Energy: 1.6002821736513912
Energy: 1.5824190466887216
Energy: 1.5524770794246194
Energy: 1.546174157617274
Energy: 1.5753329362287447
Energy: 1.5538363422506967
Energy: 1.6259919543346761
Energy: 1.5471016323743372
Energy: 1.5638595365428236
Energy: 1.6269080082458556
Energy: 1.545014030644822
Energy: 1.5079676865542793
Energy: 1.539745008087008
Energy: 1.5495454931875112
Energy: 1.583258284635841
Energy: 1.5401474384606637
Energy: 1.5485012591450595
Energy: 1.5525422143660919
Energy: 1.6041759231608848
Energy: 1.5008341400707719
Energy: 1.4957887728983683
Energy: 1.4949144300338912
Energy: 1.4962068841071734
Energy: 1.4959160527199553
Energy: 1.5507862023349652
Energy: 1.5567977853654842
Energy: 1.5536275466185412
Energy: 1.5530290108706013
Energy: 1.56268754443984
Energy: 1.5531585548741622
Energy: 1.5329774719147864
Energy: 1.5522676900229966
Energy: 1.5254103711787173
Energy: 1.5334120319808444
Energy: 1.557075796563247
Energy: 1.5249713364369177
Energy: 1.5863570890244834
Energy: 1.5512068002738932
Energy: 1.5587309010847952
Energy: 1.531063190539066
Energy: 1.5515423668378323
Energy: 1.5619589742217872
Energy: 1.6413873452665209
Energy: 1.5041101456789092
Energy: 1.4981137477681337
Energy: 1.56480603412886
Energy: 1.4960354028374294
Energy: 1.5493600062554593
Energy: 1.6255612737315743
Energy: 1.502558526715654
Energy: 1.4986921640765434
Energy: 1.5643756730613256
Energy: 1.5332839907895641
Energy: 1.4987336964230797
Energy: 1.5869793861574957
Energy: 1.5312668902129605
Energy: 1.5010252869104925
Energy: 1.5340122610879763
Energy: 1.528875507566566
Energy: 1.5002846911320058
Energy: 1.5874624964968467
Energy: 1.547090442646336
Energy: 1.547846549499221
Energy: 1.563569018945222
Energy: 1.5460848097241586
Energy: 1.5499745122980884
Energy: 1.817901621436555
Energy: 1.548827232842347
Energy: 1.551417171769015
Energy: 1.560272213043665
Energy: 1.5430381044861012
Energy: 1.5537372930268953
Energy: 1.5803239894766452
Energy: 1.5463903861420998
Energy: 1.5483899356480508
Energy: 1.5596688620641197
Energy: 1.5734238223237624
Energy: 1.5505051219930734
Energy: 1.5880853458952662
Energy: 1.4968410527845595
Energy: 1.4971515230996688
Energy: 1.5640031929994194
Energy: 1.4974331578436688
Energy: 1.496000442841167
Energy: 1.563333476072997
Energy: 1.549004408918041
Energy: 1.4947905625069842
Energy: 1.5642216595272431
Energy: 1.5690683139115664
Energy: 1.4955958363946462
Energy: 1.565055047441748
Energy: 1.5478387873797221
Energy: 1.5739408333449734
Energy: 1.5666576104720156
Energy: 1.546895830287651
Energy: 1.552742526886139
Energy: 1.719073660375823
Energy: 1.5308901756979567
Energy: 1.4958207203788467
Energy: 1.5011874217917993
Energy: 1.6257596151983638
Energy: 1.4960411608370097
Energy: 1.5705095442606152
Energy: 1.5509613065191568
Energy: 1.5515134134933068
Energy: 1.5713458263045623
Energy: 1.5331566676339639
Energy: 1.55200482454424
Energy: 1.626254238925479
Energy: 1.5505728505095895
Energy: 1.552945320741339
Energy: 1.5929746234381639
Energy: 1.5676598626317462
Energy: 1.5565842221015356
Energy: 1.5695366615635875
Energy: 1.564734740441468
Energy: 1.551525203201055
Energy: 1.5505396366938244
Energy: 1.5676150728826383
Energy: 1.4948851992924523

minimum gb energy = 1.4947905625069842 eV
minimum distance =  2.2942638421903 Angstroms
sigma value = 27


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

Energy: 1.691343375652182
Energy: 1.5117572246804
Energy: 1.4898873624653062
Energy: 1.4840809583718346
Energy: 2.2145239220860713
Energy: 1.492252319879689
Energy: 1.5178836992984532
Energy: 1.569782619303185
Energy: 1.5179273661034243
Energy: 1.527165966279907
Energy: 1.5644564216994394
Energy: 1.5161176421281661
Energy: 1.5529123398320632
Energy: 1.5360554132852287
Energy: 1.5250839058974694
Energy: 1.542008497131082
Energy: 1.5213727906333372
Energy: 1.529317641765842
Energy: 1.560186736749006
Energy: 1.5363681718282094
Energy: 1.5340831160982287
Energy: 1.5380830670072487
Energy: 1.533219598466084
Energy: 1.5388250319857546
Energy: 1.5176921728800923
Energy: 1.5082969190088926
Energy: 1.5068607787789812
Energy: 1.5149164251635427
Energy: 1.5068706116296595
Energy: 1.5067865307332429
Energy: 1.575931973392165
Energy: 1.5359607680322032
Energy: 1.5371268595584995
Energy: 1.5323491618528908
Energy: 1.5340550422404484
Energy: 1.5361685214076621
Energy: 1.5459542037972283
Energy: 1.4558652456837435
Energy: 1.4539785653437547
Energy: 1.4946482437862385
Energy: 1.4715688918295968
Energy: 1.452468447945367
Energy: 1.5374258726702614
Energy: 1.505387488050985
Energy: 1.5597561463988072
Energy: 1.5359099191864791
Energy: 1.5066722980583356
Energy: 1.5033289904346234
Energy: 1.57505078497776
Energy: 1.5209708901061343
Energy: 1.5267289313147183
Energy: 1.5188662989604018
Energy: 1.5034191912277686
Energy: 1.5250025652124404
Energy: 1.6136511998634326
Energy: 1.5298712258487346
Energy: 1.534275855162654
Energy: 1.5258296509004021
Energy: 1.5275674682177363
Energy: 1.5309824682823836
Energy: 1.5384417768509406
Energy: 1.5042911420064877
Energy: 1.5039591201231206
Energy: 1.4944933614973994
Energy: 1.5263210280618187
Energy: 1.505131836142891
Energy: 1.5676866709557307
Energy: 1.5362773282716915
Energy: 1.5414123192543325
Energy: 1.5365707420914403
Energy: 1.5378183776438241
Energy: 1.5399900542784277
Energy: 1.4687796419720438
Energy: 1.5491517201744238
Energy: 1.4496213468623096
Energy: 1.4499508093260967
Energy: 1.5485725704046702
Energy: 1.4492711798170537
Energy: 1.468793469532161
Energy: 1.5594339378953581
Energy: 1.5618690396655588
Energy: 1.4508033056859597
Energy: 1.556963292151751
Energy: 1.4504209285503034
Energy: 1.5715735959571646
Energy: 1.541220225516283
Energy: 1.538539800086166
Energy: 1.5378952179887142
Energy: 1.5347278979202137
Energy: 1.5423373546697703
Energy: 1.5913224842232885
Energy: 1.5299730454592602
Energy: 1.5363789951732718
Energy: 1.50861812599806
Energy: 1.5280132070846584
Energy: 1.5369591782313698
Energy: 1.552191496373168
Energy: 1.585022463646315
Energy: 1.518298330910577
Energy: 1.5520935418821904
Energy: 1.5557399760559028
Energy: 1.5196461184002545
Energy: 1.6042829062409132
Energy: 1.5268215036185528
Energy: 1.5217620826194351
Energy: 1.5032801287632278
Energy: 1.524659343710442
Energy: 1.5231982743376224
Energy: 1.5357180636231922
Energy: 1.4478200241886936
Energy: 1.4502155137396497
Energy: 1.5372681026444293
Energy: 1.4486696956663763
Energy: 1.4487626127011077
Energy: 1.5515226920590364
Energy: 1.4478589069276953
Energy: 1.4503878563993866
Energy: 1.4991293958015792
Energy: 1.4487587618796376
Energy: 1.4491035560733225
Energy: 1.5530678599836256
Energy: 1.5243917914765643
Energy: 1.5261173764332172
Energy: 1.5235787776269327
Energy: 1.5263048217907567
Energy: 1.524850145722512
Energy: 1.5335390308680403
Energy: 1.5051244108845747
Energy: 1.5045208902175073
Energy: 1.5437010594455336
Energy: 1.5025278030193758
Energy: 1.5149030868143363
Energy: 1.5750684098167345
Energy: 1.5331089740911379
Energy: 1.5477498048083864
Energy: 1.5516878913448344
Energy: 1.5315099169668323
Energy: 1.5461699496587114
Energy: 1.5767060961793131
Energy: 1.5348666790218948
Energy: 1.5314686932077999
Energy: 1.5256265096994495
Energy: 1.5338411600238104
Energy: 1.529948530277545
Energy: 1.5854825951544365
Energy: 1.5944134409369952
Energy: 1.5761574639391123
Energy: 1.4834147790649062
Energy: 1.5861779465510115
Energy: 1.4852295314743045

minimum gb energy = 1.4478200241886936 eV
minimum distance =  2.27712147837084 Angstroms
sigma value = 19


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

Energy: 2.3087157376565597
Energy: 1.4292303708960996
Energy: 1.4592174439664978
Energy: 1.5040166012946994
Energy: 1.4395268874661131
Energy: 1.480742459355725
Energy: 1.528360734959955
Energy: 1.4837112913064063
Energy: 1.4683224191248074
Energy: 1.4865597377233262
Energy: 1.4827971082404428
Energy: 1.4864056943052244
Energy: 1.5356438348937225
Energy: 1.4855534818823364
Energy: 1.487662023582085
Energy: 1.4972506619666572
Energy: 1.4920043590664078
Energy: 1.4677964766322176
Energy: 1.534496061063785
Energy: 1.4876194292127811
Energy: 1.4840586959476174
Energy: 1.482894141885798
Energy: 1.5209914023348845
Energy: 1.4886900707205433
Energy: 1.5143973548061316
Energy: 1.4792207745383348
Energy: 1.4694773161492511
Energy: 1.5169068758499213
Energy: 1.4974034266863026
Energy: 1.462883543840045
Energy: 1.5343781016100804
Energy: 1.549081392263374
Energy: 1.4872197192149297
Energy: 1.4819265511890922
Energy: 1.4717729818477352
Energy: 1.489286770686415
Energy: 1.516584146947415
Energy: 1.494943817183609
Energy: 1.4899013152508753
Energy: 1.4833709092909
Energy: 1.5002699888130975
Energy: 1.4861086413315656
Energy: 1.5314907928527244
Energy: 1.4812310482108832
Energy: 1.4682715300228988
Energy: 1.482566598367372
Energy: 1.4616852551992567
Energy: 1.4681528233567842
Energy: 1.4923530895023596
Energy: 1.4743078981355204
Energy: 1.4885996103848376
Energy: 1.4834984902744028
Energy: 1.484380758224126
Energy: 1.490927286924741
Energy: 1.4940335059952845
Energy: 1.508780930296659
Energy: 1.5058619582483048
Energy: 1.4830726678980632
Energy: 1.5091201867624995
Energy: 1.4830824399616303
Energy: 1.5335333208122144
Energy: 1.4716006490570013
Energy: 1.432689751256332
Energy: 1.4970121642972833
Energy: 1.4765632853341473
Energy: 1.4273899148572537
Energy: 1.5269604774370429
Energy: 1.4780217776255424
Energy: 1.4522740100249094
Energy: 1.428888141572335
Energy: 1.5150438820594263
Energy: 1.452600540644151
Energy: 1.5527029985094536
Energy: 1.5239211339146241
Energy: 1.48611791405622
Energy: 1.5014400797684933
Energy: 1.525050579466429
Energy: 1.4597021260350482
Energy: 1.6164389582956542
Energy: 1.510669724523434
Energy: 1.5032767259676199
Energy: 1.4706712922434215
Energy: 1.5114168163539925
Energy: 1.485328931057258
Energy: 1.5265959921410504
Energy: 1.4754007338500346
Energy: 1.4771217443218618
Energy: 1.463607212326398
Energy: 1.473297342429622
Energy: 1.4498869895829463
Energy: 1.5276002317604014
Energy: 1.47521948704798
Energy: 1.474322462174584
Energy: 1.4329734824355282
Energy: 1.475528898531433
Energy: 1.4735371133930848
Energy: 1.516683080667646
Energy: 1.4876040908126849
Energy: 1.4947982712110117
Energy: 1.4668395663095903
Energy: 1.5096912956178756
Energy: 1.494189450546062
Energy: 1.6007614718353282
Energy: 1.4581728552407125
Energy: 1.4515998752681158
Energy: 1.468776300832336
Energy: 1.4525027630877254
Energy: 1.4738200684284979
Energy: 1.5456503535859742
Energy: 1.4737144613230553
Energy: 1.476202536273433
Energy: 1.4924449659450973
Energy: 1.4681546424524368
Energy: 1.4355789054114931
Energy: 1.5305476872682668
Energy: 1.4735063102791033
Energy: 1.4756081611873735
Energy: 1.4806610973216754
Energy: 1.4690677264616865
Energy: 1.4293869839551963
Energy: 1.4725265551463247
Energy: 1.4551974968338321
Energy: 1.4735579291340564
Energy: 1.4735034330451893
Energy: 1.4408809305216805
Energy: 1.4745089640822442
Energy: 1.4634064770846615
Energy: 1.4285042357756494
Energy: 1.4518700276061116
Energy: 1.4914511056724302
Energy: 1.4284324800160817
Energy: 1.4521701599561965
Energy: 1.5405678530701845
Energy: 1.4700960610972005
Energy: 1.4748307344589546
Energy: 1.5420703532401392
Energy: 1.4608155467821555
Energy: 1.4765707001833996
Energy: 1.5367025371232312
Energy: 1.466391869376161
Energy: 1.4726113821317877
Energy: 1.4978378579548148
Energy: 1.4603914521510188
Energy: 1.471416501007058
Energy: 1.5740932456028853
Energy: 1.4284674020105317
Energy: 1.4277740388232505
Energy: 1.4756184714496197
Energy: 1.4430578272393375
Energy: 1.4509618249063356
Energy: 1.5163257693537249
Energy: 1.468636841061069
Energy: 1.4691690132491315
Energy: 1.4890784843940958
Energy: 1.470524440235341
Energy: 1.4702652385947514
Energy: 1.537825153297585
Energy: 1.4821511282697029
Energy: 1.4883289939982316
Energy: 1.5134709671320394
Energy: 1.4855241197428728
Energy: 1.4882342922620782
Energy: 1.5351864588175619
Energy: 1.4922642192736704
Energy: 1.4910111425699386
Energy: 1.4676710007496048
Energy: 1.4842414342029553
Energy: 1.4889025976801653
Energy: 1.5856165262704627
Energy: 1.5581745614469997
Energy: 1.5583152089080865
Energy: 1.4519014685839824
Energy: 1.5573314882294598
Energy: 1.4706155915504358

minimum gb energy = 1.4273899148572537 eV
minimum distance =  2.26534900704873 Angstroms
sigma value = 101


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

Energy: 2.1285549550147844
Energy: 1.4511476103653245
Energy: 1.450891573716582
Energy: 1.369005224764188
Energy: 1.4177547188363013
Energy: 1.3687133906058644
Energy: 1.5828469439540123
Energy: 1.4142517116152447
Energy: 1.4276851987282084
Energy: 1.4241902550811298
Energy: 1.4182556639017028
Energy: 1.4280020909147824
Energy: 1.514623081115343
Energy: 1.4274114928039066
Energy: 1.4152239776298094
Energy: 1.4150268456428325
Energy: 1.4228177209993411
Energy: 1.4153920711809478
Energy: 1.5031690096247996
Energy: 1.4282148471375344
Energy: 1.4323361021042595
Energy: 1.4178259811715745
Energy: 1.451443532233729
Energy: 1.4305733999396015
Energy: 1.4353996094637496
Energy: 1.4166834135903177
Energy: 1.4188390097568415
Energy: 1.4405928172961386
Energy: 1.4155877553096667
Energy: 1.4509759374965188
Energy: 1.5066038229620753
Energy: 1.4595191404979466
Energy: 1.4549042236880512
Energy: 1.5073194688609661
Energy: 1.4291195947643953
Energy: 1.454328496691986
Energy: 1.496951607903887
Energy: 1.4166827998738598
Energy: 1.4130276364439385
Energy: 1.4761544872720924
Energy: 1.4120718890765986
Energy: 1.4117575712269854
Energy: 1.482824419898061
Energy: 1.4226816290435766
Energy: 1.4287683261257607
Energy: 1.4585108853177633
Energy: 1.4668032127756936
Energy: 1.4143326139312788
Energy: 1.4132164743263338
Energy: 1.412760682352504
Energy: 1.4432243008670342
Energy: 1.416042841905114
Energy: 1.4124062733511298
Energy: 1.432914752742385
Energy: 1.411163732104073
Energy: 1.436172263064822
Energy: 1.4360932484483273
Energy: 1.4182005418702184
Energy: 1.4367075295307505
Energy: 1.4362711556318253
Energy: 1.5088751280301
Energy: 1.439106696062146
Energy: 1.3626920809730847
Energy: 1.490297131693582
Energy: 1.3837418511517428
Energy: 1.3638757699950521
Energy: 1.5117197665354427
Energy: 1.436774691544415
Energy: 1.4409496771569374
Energy: 1.4166476155260308
Energy: 1.4172795174787596
Energy: 1.4416255754812262
Energy: 1.4509784563123234
Energy: 1.4120141701281435
Energy: 1.4138360589658547
Energy: 1.4087044463823752
Energy: 1.4113804112977375
Energy: 1.415316931783007
Energy: 1.4783383469086506
Energy: 1.4184112714984365
Energy: 1.4406894733652063
Energy: 1.4121127538045386
Energy: 1.4170988723644815
Energy: 1.446051339704106
Energy: 1.5125795503301338
Energy: 1.4231470059761744
Energy: 1.4334692847455546
Energy: 1.4172324251635895
Energy: 1.4180945968960132
Energy: 1.4398548686809658
Energy: 1.5132115134038138
Energy: 1.426343422943276
Energy: 1.4287731061217364
Energy: 1.442134164505864
Energy: 1.425708259378041
Energy: 1.4269527932304944
Energy: 1.4585981518337492
Energy: 1.5378249280990615
Energy: 1.4480029775097538
Energy: 1.3737060793311426
Energy: 1.5333541541969793
Energy: 1.4319050423141209
Energy: 1.5871481060272692
Energy: 1.4145109014154942
Energy: 1.4143154550974664
Energy: 1.4445030726767474
Energy: 1.4165834190752986
Energy: 1.4498767385808602
Energy: 1.514259202845061
Energy: 1.4203980918421757
Energy: 1.4297384385920593
Energy: 1.4109142285209932
Energy: 1.4167966151484337
Energy: 1.4170644542711899
Energy: 1.4995035970060369
Energy: 1.4200410692922698
Energy: 1.4250330768827224
Energy: 1.416985836600027
Energy: 1.4172694381594153
Energy: 1.4460703462578492
Energy: 1.4396686523703688
Energy: 1.4128428691131292
Energy: 1.4150372279925385
Energy: 1.446469159358454
Energy: 1.4149823848193692
Energy: 1.4442421331525732
Energy: 1.4879204768246825
Energy: 1.4336054492546964
Energy: 1.4300471732879692
Energy: 1.4457842803315326
Energy: 1.416768578234372
Energy: 1.4285687993432075
Energy: 1.468813622327663
Energy: 1.4125889149699729
Energy: 1.4139793327390489
Energy: 1.4606225850644545
Energy: 1.4125142722489454
Energy: 1.4105921569724493
Energy: 1.509809630076126
Energy: 1.4203223415388562
Energy: 1.4176158678425832
Energy: 1.4153067151748508
Energy: 1.4175735289742089
Energy: 1.4147696174912625
Energy: 1.4246091643219119
Energy: 1.4145298228232106
Energy: 1.4286629860144036
Energy: 1.4244519368575972
Energy: 1.412378712045189
Energy: 1.4288168291107401
Energy: 1.4124587144025047
Energy: 1.4358424447492486
Energy: 1.438282744267728
Energy: 1.4166354470513887
Energy: 1.4205927924180886
Energy: 1.4375569095941731
Energy: 1.4998621810953447
Energy: 1.3884403425100063
Energy: 1.3996803071047055
Energy: 1.3894671784015677
Energy: 1.3800201050625351
Energy: 1.3918551055067072
Energy: 1.5141090514362852
Energy: 1.3863521409173214
Energy: 1.3977487818665113
Energy: 1.4252531764731624
Energy: 1.3797772500766172
Energy: 1.4462285822692984
Energy: 1.4505743399112747
Energy: 1.4175090783451083
Energy: 1.4189797356868676
Energy: 1.408268246703432
Energy: 1.4180657070241958
Energy: 1.4395025132321326
Energy: 1.4534591289521421
Energy: 1.4296322575683782
Energy: 1.4347744333843633
Energy: 1.4120353279588018
Energy: 1.4181544267154216
Energy: 1.4538381112869414
Energy: 1.51508684132938
Energy: 1.4222756521075146
Energy: 1.4447620132580108
Energy: 1.4171640939578163
Energy: 1.4159352201886912
Energy: 1.4477646722154902
Energy: 1.5130124527902773
Energy: 1.4176055775163026
Energy: 1.4289729373070625
Energy: 1.412033628061325
Energy: 1.4172196573058111
Energy: 1.4324274149551106
Energy: 1.4611939449515636
Energy: 1.417732497212313
Energy: 1.4503496382412346
Energy: 1.3746384703525352
Energy: 1.4132036924303215
Energy: 1.4486966812634139

minimum gb energy = 1.3626920809730847 eV
minimum distance =  2.25363877480124 Angstroms
sigma value = 33


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

Energy: 0.020779612927320387
Energy: 0.021862568155098086
Energy: 0.021689876525098233
Energy: 0.02345087628446597
Energy: 1.2626963274436367
Energy: 0.021484937039715164
Energy: 0.02175055586256255
Energy: 0.18818956973795753
Energy: 0.1854752339999034
Energy: 0.1879478760255172
Energy: 0.18797880986439341
Energy: 0.18518315809300015
Energy: 1.8059380357468517
Energy: 1.2630149006930127
Energy: 1.260900010387274
Energy: 1.2599806706167411
Energy: 1.2627450865801837
Energy: 1.2605492114207413
Energy: 0.7215877057967688
Energy: 0.18818956973795753
Energy: 0.1854752339999034
Energy: 0.1879478760255172
Energy: 0.1879788098648159
Energy: 0.18518315809300015

minimum gb energy = 0.020779612927320387 eV
minimum distance =  2.436795697821 Angstroms
sigma value = 1