Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Pb__MO_958424213898_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pb
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.939586490392685
cohesive_energy=2.0170550541167356
mass=207.2
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=[7.325407918909439e-20, 1.082063635481214e-19, 1.364532182585316e-19, 1.60414731125982e-19, 1.8135357755572798e-19, 1.99796232789702e-19, 2.16168875812548e-19, 2.30782328891262e-19, 2.4387050981440795e-19, 2.55577614479046e-19, 2.660414300757e-19, 2.75367700262214e-19, 2.83646146930092e-19, 2.91056213862342e-19, 2.97586685822526e-19, 3.03272810696592e-19, 3.0816265378356e-19, 3.1229626949928e-19, 3.1571371225960196e-19, 3.18447025597206e-19, 3.20534661751308e-19, 3.2199744901815e-19, 3.22859420047242e-19, 3.2314300531146e-19, 3.2283538739773196e-19, 3.2183562917811597e-19, 3.2000914781535595e-19, 3.1719091911614995e-19, 3.13246360243242e-19, 3.07893488109048e-19, 3.00834297859644e-19, 2.91709901929014e-19, 2.80082906096076e-19, 2.6541658118844e-19, 2.47066852199238e-19, 2.24123682800358e-19, 1.9548958199751e-19, 1.59765048500895e-19, 1.1516109188098858e-19, 5.92106805567576e-20, -1.127808982735182e-20, -1.006019525901672e-19, -2.1478139084750398e-19, -3.6183557102256e-19, -5.539637864419379e-19, -8.08668214655454e-19, -1.152062732620674e-18, -1.62539217342666e-18, -2.2952462023357196e-18, -3.2752656058208395e-18, -4.77153836431344e-18, -7.188758273795578e-18, -1.1407609786444379e-17, -1.96487738040492e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.0041663354123108775
Energy: 0.28813450507476934
Energy: 0.004365922115760423
Energy: 0.004270908468776301
Energy: 0.28804420358902516
Energy: 0.004216874723900896
Energy: 0.288134505074928
Energy: 0.059986953853370155
Energy: 0.059831425249384576
Energy: 0.059991328813038834
Energy: 0.05986259665193646
Energy: 0.05986618992741038
Energy: 0.004365922115760423
Energy: 0.059831425249384576
Energy: 0.06016634411889891
Energy: 0.004331111102629265
Energy: 0.05975989249207127
Energy: 0.060084319875533976
Energy: 0.004270908469102903
Energy: 0.05999132881287087
Energy: 0.0043311111024706295
Energy: 0.004294742216713072
Energy: 0.0599962216707794
Energy: 0.0042693975251943345
Energy: 0.2880442035891838
Energy: 0.05986259665210442
Energy: 0.0597598924919033
Energy: 0.0599962216707794
Energy: 0.05971931933769512
Energy: 0.060014774669747376
Energy: 0.00421687472374226
Energy: 0.059866189927569015
Energy: 0.06008431987537534
Energy: 0.004269397525035698
Energy: 0.06001477466991534
Energy: 0.004237597735646228

minimum gb energy = 0.0041663354123108775 eV
minimum distance =  3.48924690232215 Angstroms
sigma value = 1


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

Energy: 0.8047118487957422
Energy: 0.4552602640334988
Energy: 0.4757140191630712
Energy: 0.448204474488206
Energy: 0.4702579966136346
Energy: 0.47559510677884587
Energy: 0.7089324350582398
Energy: 0.44591228601710703
Energy: 0.4435131432535217
Energy: 0.4427427121626805
Energy: 0.4476665919126026
Energy: 0.4431723655126891
Energy: 0.7225185204530654
Energy: 0.4451090302780915
Energy: 0.446088563829873
Energy: 0.4539992168370894
Energy: 0.4449585820840939
Energy: 0.4152425971602472
Energy: 0.7808956863146819
Energy: 0.451423770387376
Energy: 0.44352231519863866
Energy: 0.4482380496022306
Energy: 0.45754267072790294
Energy: 0.4502936510703862
Energy: 0.70815904964135
Energy: 0.4517377900808355
Energy: 0.45033109773790986
Energy: 0.44260704356606523
Energy: 0.44574561254233
Energy: 0.4493799813272935
Energy: 0.7077355503375875
Energy: 0.4498976240493038
Energy: 0.458258488382868
Energy: 0.45278659987123676
Energy: 0.44579861048874564
Energy: 0.453155053763579
Energy: 0.7055556136553776
Energy: 0.4543869490356034
Energy: 0.4580930316428585
Energy: 0.4525556355106327
Energy: 0.44604799636466874
Energy: 0.45375337531314874
Energy: 0.6640832097886421
Energy: 0.4495788808454404
Energy: 0.44953336289876783
Energy: 0.41685642687104785
Energy: 0.45260826357656964
Energy: 0.4541031105196549
Energy: 0.5728102458867235
Energy: 0.4528952179723001
Energy: 0.4526658637043272
Energy: 0.4455952952518013
Energy: 0.4527007870644407
Energy: 0.4528456045973352
Energy: 0.5714571522000161
Energy: 0.4433825640797024
Energy: 0.4449668700704677
Energy: 0.4463966161493974
Energy: 0.4425983997394562
Energy: 0.44955399507120586
Energy: 0.5385744025285745
Energy: 0.44263214343821583
Energy: 0.43522392173828095
Energy: 0.4710183135894288
Energy: 0.44917661162402955
Energy: 0.449071980682966
Energy: 0.48652620022592313
Energy: 0.44902788141705524
Energy: 0.4454700193520794
Energy: 0.4515700775854829
Energy: 0.449642684851364
Energy: 0.44570641963046304
Energy: 0.4866818217277358
Energy: 0.4427449481456625
Energy: 0.4429581209978241
Energy: 0.4555184690044048
Energy: 0.44332314652215044
Energy: 0.44348866036451
Energy: 0.5233804083746526
Energy: 0.4498079450932444
Energy: 0.44706873717334766
Energy: 0.45519478772497907
Energy: 0.44768179831197413
Energy: 0.45343714769036225
Energy: 0.5119588789641725
Energy: 0.44232047441971295
Energy: 0.44298472889835977
Energy: 0.45206973876797574
Energy: 0.4425494465074527
Energy: 0.4434380677100518
Energy: 0.5119909463642781
Energy: 0.45353341804089253
Energy: 0.4525244514112273
Energy: 0.4484188659959123
Energy: 0.45862603614686076
Energy: 0.45302694125675075
Energy: 0.6647647523666332
Energy: 0.452525409816782
Energy: 0.45307798518718556
Energy: 0.4527056022922932
Energy: 0.4518800191336553
Energy: 0.45369059923424954
Energy: 0.6420667230635642
Energy: 0.4226156885587309
Energy: 0.4592567529692909
Energy: 0.4535748845087244
Energy: 0.45266889465749843
Energy: 0.45465295893731367
Energy: 0.6424355460425287
Energy: 0.4596756132075178
Energy: 0.4641823400159722
Energy: 0.45264111217804576
Energy: 0.422888806311419
Energy: 0.46511177047425556
Energy: 0.6670228789649334
Energy: 0.4593295109252863
Energy: 0.45390495682490917
Energy: 0.4528438315657283
Energy: 0.452993177759717
Energy: 0.4650975593584206
Energy: 0.7343733903985719
Energy: 0.4448790326057142
Energy: 0.4437535547828582
Energy: 0.4495055035072967
Energy: 0.4525636673325937
Energy: 0.44392960602656023
Energy: 0.7373260714016914
Energy: 0.44511771302061937
Energy: 0.45323639057396786
Energy: 0.4500120731333268
Energy: 0.4454521043738684
Energy: 0.4219444273921504
Energy: 0.735280146742903
Energy: 0.44579743334398364
Energy: 0.44324352333237343
Energy: 0.4341044372450555
Energy: 0.44752430260514553
Energy: 0.4429753260127686

minimum gb energy = 0.4152425971602472 eV
minimum distance =  3.26938706673461 Angstroms
sigma value = 33


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

Energy: 0.947298689281967
Energy: 0.49744228227387494
Energy: 0.49955505275220735
Energy: 0.4951668117267117
Energy: 0.49740536761306336
Energy: 0.4995153237837137
Energy: 0.6767243201158195
Energy: 0.4894199866190907
Energy: 0.47565214751621604
Energy: 0.47796352959390037
Energy: 0.4946977487644984
Energy: 0.4659058435005263
Energy: 0.6857984733991622
Energy: 0.4821184527726618
Energy: 0.4931691154310673
Energy: 0.48426232685015264
Energy: 0.48186652774128863
Energy: 0.49499686368229295
Energy: 0.7439127531205015
Energy: 0.4890976211445856
Energy: 0.489011926565949
Energy: 0.4728029302582641
Energy: 0.4890572006712882
Energy: 0.4769649866407988
Energy: 0.4683005227674897
Energy: 0.45835273647891683
Energy: 0.4682216392172074
Energy: 0.46893932761897045
Energy: 0.47533300066386
Energy: 0.4770779709734773
Energy: 0.7335820942597837
Energy: 0.4808032028605667
Energy: 0.4745017884977529
Energy: 0.4589199711929844
Energy: 0.47072468437034637
Energy: 0.4681966936201473
Energy: 0.7335669849267301
Energy: 0.47429589284379886
Energy: 0.4697389825129076
Energy: 0.4589921988868816
Energy: 0.4697030334041432
Energy: 0.46980447728576935
Energy: 0.4802526617639382
Energy: 0.4883771033146616
Energy: 0.46973675612422244
Energy: 0.4758635819582089
Energy: 0.46099009291794824
Energy: 0.4697767353719211
Energy: 0.586956692464988
Energy: 0.4736161759570613
Energy: 0.45641675050380176
Energy: 0.47637911192205423
Energy: 0.4704073204126802
Energy: 0.4563247962214124
Energy: 0.586054050124
Energy: 0.48331650725636244
Energy: 0.48301374533948427
Energy: 0.4684352993024052
Energy: 0.47527314993807895
Energy: 0.4828118133104574
Energy: 0.5612307994842696
Energy: 0.475576016528152
Energy: 0.47540866435422324
Energy: 0.4919138325597006
Energy: 0.4755299259290759
Energy: 0.4753868750257463
Energy: 0.5152182480437622
Energy: 0.4834274958407078
Energy: 0.47656939785487157
Energy: 0.47824609365684156
Energy: 0.48534420292129127
Energy: 0.47611540636634697
Energy: 0.5150585873074605
Energy: 0.47477730587502065
Energy: 0.47338407899255114
Energy: 0.48613918539377543
Energy: 0.47289731286092085
Energy: 0.47912607289900855
Energy: 0.5469687454936538
Energy: 0.4793131556514497
Energy: 0.47343932624151863
Energy: 0.4827235872862477
Energy: 0.47940774913647927
Energy: 0.4747660863364771
Energy: 0.5723627531125383
Energy: 0.46685681499039205
Energy: 0.4826829346809376
Energy: 0.4844958727922156
Energy: 0.46686165025685034
Energy: 0.48351324921119504
Energy: 0.5720158311588608
Energy: 0.469163359922661
Energy: 0.48633984103329353
Energy: 0.4868317677741746
Energy: 0.47412691679863145
Energy: 0.48197904530196506
Energy: 0.6984188560996686
Energy: 0.4703445086184889
Energy: 0.4707961719206917
Energy: 0.4803783818548896
Energy: 0.4693402920035875
Energy: 0.47876424294841663
Energy: 0.6567807702724044
Energy: 0.4819189380766545
Energy: 0.4853973313600453
Energy: 0.4750803886241782
Energy: 0.4811878610935443
Energy: 0.4879933897301387
Energy: 0.6566657300458761
Energy: 0.49097354907056556
Energy: 0.49275411674584924
Energy: 0.4702965683047465
Energy: 0.47603664144927094
Energy: 0.48556965565991056
Energy: 0.6999653523732879
Energy: 0.4666848674544443
Energy: 0.4659582292994179
Energy: 0.46550004750258084
Energy: 0.4693236012402352
Energy: 0.47703247823372275
Energy: 0.8061302114797809
Energy: 0.47500758875128035
Energy: 0.47533907608410675
Energy: 0.4641032657965607
Energy: 0.4758625251547773
Energy: 0.4753593126922985
Energy: 0.6312772952753787
Energy: 0.4816244406811829
Energy: 0.46596080464836404
Energy: 0.48528295527887927
Energy: 0.48292272534501113
Energy: 0.46607512631053255
Energy: 0.6917455195121208
Energy: 0.47812190242391034
Energy: 0.46506212143188796
Energy: 0.4726956121145307
Energy: 0.4866680251801652
Energy: 0.4714454954355561
Energy: 0.7434963654312898
Energy: 0.49404074002106285
Energy: 0.47718291978534794
Energy: 0.4777679141231064
Energy: 0.4761506695993806
Energy: 0.4916859413795
Energy: 0.6914318224024826
Energy: 0.4827174476540082
Energy: 0.4794231919983908
Energy: 0.4672077120122403
Energy: 0.4896242340106124
Energy: 0.4806886960461462
Energy: 0.7308179730635688
Energy: 0.49128633489505796
Energy: 0.48507023100694957
Energy: 0.4791543498384277
Energy: 0.4785651623736024
Energy: 0.48658217262421666
Energy: 0.7304053359137649
Energy: 0.46261624059778994
Energy: 0.46270889293885303
Energy: 0.4680880805968746
Energy: 0.4709526878704775
Energy: 0.47341235575842383
Energy: 0.47898866944969265
Energy: 0.4609293174416098
Energy: 0.45947530440826573
Energy: 0.4744714541355152
Energy: 0.47374367303226717
Energy: 0.48242485433480103
Energy: 0.5855547131145982
Energy: 0.4612108606973955
Energy: 0.4880895284515181
Energy: 0.4743640028310625
Energy: 0.47377127095555455
Energy: 0.48235253729700395
Energy: 0.5848128138451537
Energy: 0.475127506241776
Energy: 0.4820619210603159
Energy: 0.46690845777900686
Energy: 0.47468216398912705
Energy: 0.48186229785326273
Energy: 0.61960336769368
Energy: 0.46360454789349664
Energy: 0.4682871011270365
Energy: 0.4783318141925723
Energy: 0.4631003250546578
Energy: 0.475487089952993
Energy: 0.5165444243052248
Energy: 0.46310934766107614
Energy: 0.46192093776836585
Energy: 0.48466894854415365
Energy: 0.4635334989316747
Energy: 0.4754775063176326
Energy: 0.516559733722525
Energy: 0.4688793845080879
Energy: 0.47299146663680763
Energy: 0.48735698982643094
Energy: 0.4688559152096166
Energy: 0.47651351690217264
Energy: 0.5164446641653161
Energy: 0.4792064252459438
Energy: 0.47911846053430707
Energy: 0.4792945705524883
Energy: 0.47694407502657643
Energy: 0.47352520892880084
Energy: 0.575238539368838
Energy: 0.46853694739585383
Energy: 0.4673664087616841
Energy: 0.4768417545339311
Energy: 0.468805690266052
Energy: 0.4757975321198075
Energy: 0.5750557958771689
Energy: 0.48718663746479596
Energy: 0.4764594236592975
Energy: 0.48546160536792776
Energy: 0.49481097256544004
Energy: 0.4797438935594147
Energy: 0.5751921913052318
Energy: 0.4790203845086101
Energy: 0.47912281564926784
Energy: 0.4886176821661144
Energy: 0.48298182912143417
Energy: 0.47922955106000187
Energy: 0.6567328570435046
Energy: 0.4820023415171129
Energy: 0.4974969044999226
Energy: 0.4707254184101074
Energy: 0.48196924772876165
Energy: 0.4969447765597421
Energy: 0.6565358966353922
Energy: 0.4818104988024056
Energy: 0.48296801501309977
Energy: 0.4756050217770289
Energy: 0.4819452136577552
Energy: 0.4697157461569698
Energy: 0.6818053085241331
Energy: 0.48191753087856454
Energy: 0.4903829713806602
Energy: 0.46826574385911635
Energy: 0.4817761055123601
Energy: 0.47624052168458486
Energy: 0.7903790750571994
Energy: 0.47261465379394973
Energy: 0.479807273571009
Energy: 0.4687036260696397
Energy: 0.46494406477147493
Energy: 0.46767371736806884

minimum gb energy = 0.4563247962214124 eV
minimum distance =  3.26426488084431 Angstroms
sigma value = 51


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

Energy: 0.8292868545992601
Energy: 0.4994635596747377
Energy: 0.49691482833208933
Energy: 0.47332458380240067
Energy: 0.499530602092889
Energy: 0.4735620303474974
Energy: 0.6315179295871721
Energy: 0.49493888690520094
Energy: 0.49365118292978805
Energy: 0.46431796653185503
Energy: 0.5009530562725201
Energy: 0.46392672441629035
Energy: 0.7365892049407382
Energy: 0.5019544019363649
Energy: 0.4944167185721206
Energy: 0.463638311754899
Energy: 0.49606575258476915
Energy: 0.4865620074147497
Energy: 0.7367854592599787
Energy: 0.4960828054732843
Energy: 0.4936056857059826
Energy: 0.4621226664132416
Energy: 0.4960966923253574
Energy: 0.49983804245674296
Energy: 0.6314431308916977
Energy: 0.4636649081539501
Energy: 0.4648960886707451
Energy: 0.46409749781474136
Energy: 0.46384559695008337
Energy: 0.4654055404780629
Energy: 0.6314549151140045
Energy: 0.46380360032147006
Energy: 0.46350580293193566
Energy: 0.46383084498956273
Energy: 0.4651721238401045
Energy: 0.4636769471667135
Energy: 0.6314391296857899
Energy: 0.46443833346333807
Energy: 0.4712176237534329
Energy: 0.46501213225694815
Energy: 0.4641026022339854
Energy: 0.47102094614868634
Energy: 0.6033728660629223
Energy: 0.44307743408298544
Energy: 0.46931731209641064
Energy: 0.493490991724331
Energy: 0.44316649291791205
Energy: 0.48235510066429543
Energy: 0.5110520249495955
Energy: 0.48645560953533357
Energy: 0.49050986608979047
Energy: 0.49620234722811396
Energy: 0.48670726407960846
Energy: 0.48990253321411203
Energy: 0.5110305999964782
Energy: 0.46390567441975084
Energy: 0.4739145844774552
Energy: 0.500652962156743
Energy: 0.46343659664520387
Energy: 0.4849976863251174
Energy: 0.510810162806068
Energy: 0.4675194575627367
Energy: 0.4801131632420603
Energy: 0.5106076356618534
Energy: 0.46164704798128087
Energy: 0.48024318394898946
Energy: 0.5432312620218764
Energy: 0.46387433584359244
Energy: 0.46374500919407485
Energy: 0.4954137047180427
Energy: 0.4624803426908503
Energy: 0.48473919767143303
Energy: 0.5429840890210096
Energy: 0.4861995956288357
Energy: 0.48609437898107616
Energy: 0.49627961232194795
Energy: 0.5019481614077291
Energy: 0.48976577139871214
Energy: 0.5433602059685527
Energy: 0.47146092069282686
Energy: 0.4819401538437771
Energy: 0.4796898641679664
Energy: 0.4644763233085695
Energy: 0.4752717651637269
Energy: 0.6774897947051365
Energy: 0.489867780186913
Energy: 0.4830653600928118
Energy: 0.4468233628979815
Energy: 0.48961245019038024
Energy: 0.4832207193371678
Energy: 0.677372352156457
Energy: 0.5017823974537305
Energy: 0.489652054171517
Energy: 0.4469287665691799
Energy: 0.49417232104461056
Energy: 0.4950346038668962
Energy: 0.6750174882338235
Energy: 0.4944737518731453
Energy: 0.4893684491501666
Energy: 0.4636439880479112
Energy: 0.5035950768592135
Energy: 0.4835198987277183
Energy: 0.7953060384869045
Energy: 0.4985678375786733
Energy: 0.4619587526901565
Energy: 0.4422669456097462
Energy: 0.4954239479662668
Energy: 0.46122767155419064

minimum gb energy = 0.4422669456097462 eV
minimum distance =  3.27312448551719 Angstroms
sigma value = 19


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

Energy: 0.7072925816414274
Energy: 0.4774976976725082
Energy: 0.5030235743210566
Energy: 0.5409667527526585
Energy: 0.4773398337116744
Energy: 0.504149483890234
Energy: 0.5938904681965174
Energy: 0.4853766060070513
Energy: 0.4854301631626765
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Energy: 0.4854455359358129
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Energy: 0.4855356179472652
Energy: 0.5024495675437393
Energy: 0.4854406884574378
Energy: 0.485718629080949
Energy: 0.5897397351612172
Energy: 0.4854359523784616
Energy: 0.4864335424610422
Energy: 0.5002060430671679
Energy: 0.4853628660273804
Energy: 0.48555926533142957
Energy: 0.5938563882709218
Energy: 0.4853582877134162
Energy: 0.5024150234335206
Energy: 0.5030436475454487
Energy: 0.4852347620211102
Energy: 0.5022786060967135
Energy: 0.5935629931063974
Energy: 0.47216086241730343
Energy: 0.5021719652599405
Energy: 0.5038283406316864
Energy: 0.4720890641382235
Energy: 0.502452232030718
Energy: 0.5936249832184217
Energy: 0.5026000128296215
Energy: 0.5024043208563498
Energy: 0.503513577949637
Energy: 0.47701785378126216
Energy: 0.5024392968838599
Energy: 0.5463443851178804
Energy: 0.4794729642868041
Energy: 0.48025442888270176
Energy: 0.48535179809642404
Energy: 0.47957207863279633
Energy: 0.47734644770279605
Energy: 0.4854631738997849
Energy: 0.47998279979700087
Energy: 0.47220498977968045
Energy: 0.48547019556622456
Energy: 0.4792342134863001
Energy: 0.47224379270261874
Energy: 0.4853945116057134
Energy: 0.5032556965772123
Energy: 0.48542794711035125
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Energy: 0.5026151689939307
Energy: 0.485473774355099
Energy: 0.4851012177498449
Energy: 0.5007899655532814
Energy: 0.5006888737217394
Energy: 0.4852634940132764
Energy: 0.5003347904729991
Energy: 0.48560889879189517
Energy: 0.5936058797875619
Energy: 0.5027668958857227
Energy: 0.5022918084324829
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Energy: 0.502509346732532
Energy: 0.48543166712856545
Energy: 0.4721694012465804
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Energy: 0.5027290399177514
Energy: 0.4720139640756911
Energy: 0.502112747742642
Energy: 0.5022926837276925
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Energy: 0.5030443331814408
Energy: 0.502610124644648
Energy: 0.4854590033782207
Energy: 0.503853590041399
Energy: 0.5025166962552406
Energy: 0.7068500384808557
Energy: 0.4853970108686162
Energy: 0.48558156820556825
Energy: 0.4774382693906025
Energy: 0.48543509761826725
Energy: 0.47247489540024096
Energy: 0.7054257975893337
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Energy: 0.4853240695083044
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Energy: 0.48551544555379933
Energy: 0.4854068507314796
Energy: 0.5033119171374469
Energy: 0.48524813648935644
Energy: 0.48543895635577106
Energy: 0.5902889420371242
Energy: 0.4856586007019763
Energy: 0.485438525329383
Energy: 0.500141662502608
Energy: 0.48548986702536867
Energy: 0.4854658536081805
Energy: 0.5896501537428838
Energy: 0.48564781664631096
Energy: 0.48575782044379134
Energy: 0.5001315047601683
Energy: 0.48543770738681347
Energy: 0.4860188007409741
Energy: 0.5937632040209496
Energy: 0.4721418974176079
Energy: 0.5024878953329416
Energy: 0.503583739948672
Energy: 0.4720353708308546
Energy: 0.5021759402409721
Energy: 0.5922389469591235
Energy: 0.4858015864798416
Energy: 0.5027311902788331
Energy: 0.5036585089972252
Energy: 0.4852920346083083
Energy: 0.5024057183279274
Energy: 0.5934374664557206
Energy: 0.5025347482158057
Energy: 0.502388086340371
Energy: 0.4851988482953288
Energy: 0.47705396811632944
Energy: 0.5023922190153282
Energy: 0.5465599025538717
Energy: 0.4786859544088821
Energy: 0.47944311863863587
Energy: 0.5466901543694739
Energy: 0.47891805875905075
Energy: 0.47690559072437233
Energy: 0.485426906786949
Energy: 0.4859230822586486
Energy: 0.48545477778407625
Energy: 0.4853640838578233
Energy: 0.49626749449288576
Energy: 0.4854976186114353
Energy: 0.48550758471948124
Energy: 0.5026649025249402
Energy: 0.48553426359417934
Energy: 0.48548669456898125
Energy: 0.5020748014410311
Energy: 0.4855250819204222
Energy: 0.5465810340649045
Energy: 0.5002914468002679
Energy: 0.5003003680785086
Energy: 0.4853076632370764
Energy: 0.5001989391106203
Energy: 0.48540597343486713
Energy: 0.5934842053002376
Energy: 0.5026111021526991
Energy: 0.5024019309750146
Energy: 0.4853557908155529
Energy: 0.507084281823256
Energy: 0.5023486566906604
Energy: 0.47205846259702494
Energy: 0.5027133590183639
Energy: 0.5025569534043448
Energy: 0.4720690735117756
Energy: 0.5036937689240404
Energy: 0.5020226397985518
Energy: 0.5468167810318454
Energy: 0.5027932349598545
Energy: 0.5024729916217159
Energy: 0.47707791010913075
Energy: 0.5038204212644208
Energy: 0.5023031763668613
Energy: 0.7054437973999674
Energy: 0.4856807081142476
Energy: 0.4723292776004866
Energy: 0.47934577672063944
Energy: 0.485353961020701
Energy: 0.4778145736258724

minimum gb energy = 0.4720139640756911 eV
minimum distance =  3.26544065508378 Angstroms
sigma value = 27


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

Energy: 0.5876812533629575
Energy: 0.44034090879186755
Energy: 0.39444989931114155
Energy: 0.45233487297907854
Energy: 0.4838877437605923
Energy: 0.3940520408815441
Energy: 0.5646172038592886
Energy: 0.4156377215687734
Energy: 0.41544533261862016
Energy: 0.43276540611669784
Energy: 0.4839269240403757
Energy: 0.4157789027522387
Energy: 0.5197713233929511
Energy: 0.44041582956992475
Energy: 0.4402832146391683
Energy: 0.41556347220174633
Energy: 0.48444313631475894
Energy: 0.44030599827711947
Energy: 0.5195341309665119
Energy: 0.4154366546620294
Energy: 0.4154043096241335
Energy: 0.41600029875003885
Energy: 0.41587499393584515
Energy: 0.4154771709203639
Energy: 0.5651501844939136
Energy: 0.4176120023029449
Energy: 0.4157436606454746
Energy: 0.41590831058472555
Energy: 0.4177915316924603
Energy: 0.41563654649645726
Energy: 0.48306826373730155
Energy: 0.45010922260522696
Energy: 0.4407517342619237
Energy: 0.4832803299604439
Energy: 0.4490080030363702
Energy: 0.39413285743597415
Energy: 0.4837517365487803
Energy: 0.43214503921766423
Energy: 0.41557393943729193
Energy: 0.4840268070215814
Energy: 0.43238881255109396
Energy: 0.41593823988508055
Energy: 0.5089983604759837
Energy: 0.4317313151303008
Energy: 0.43200082756815167
Energy: 0.5088838164673828
Energy: 0.4317860357804253
Energy: 0.415354879975908
Energy: 0.5196747335403964
Energy: 0.4151219890824867
Energy: 0.4335133386749755
Energy: 0.44011331679404764
Energy: 0.4315660459470377
Energy: 0.41563667936124626
Energy: 0.5202668156302517
Energy: 0.43406777995349677
Energy: 0.4402414950595931
Energy: 0.44115521863210144
Energy: 0.43454164365973547
Energy: 0.44040985454304515
Energy: 0.5196450850808164
Energy: 0.45753204607835546
Energy: 0.458881451659823
Energy: 0.44044655734321125
Energy: 0.4585671248647965
Energy: 0.45942671044003636
Energy: 0.5195966423111006
Energy: 0.41585104893130004
Energy: 0.4154815189910839
Energy: 0.43280230530322517
Energy: 0.44044077691972205
Energy: 0.4157274927010217

minimum gb energy = 0.3940520408815441 eV
minimum distance =  3.30915219723145 Angstroms
sigma value = 9


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

Energy: 0.45823501599409994
Energy: 0.38960163856957986
Energy: 0.39610610083683445
Energy: 0.38657607942118044
Energy: 0.4142338410503497
Energy: 0.3972762980653506
Energy: 0.4343242006685206
Energy: 0.3822801851834676
Energy: 0.38606750882555235
Energy: 0.38784192012336566
Energy: 0.4030560019158817
Energy: 0.3894009519561504
Energy: 0.43480459728159043
Energy: 0.39287742710681023
Energy: 0.40380138336875365
Energy: 0.4047667469720848
Energy: 0.411447892298585
Energy: 0.39664403630481954
Energy: 0.4346417048859082
Energy: 0.38235654790990264
Energy: 0.3823535818108053
Energy: 0.3977681744666321
Energy: 0.3835986475125655
Energy: 0.38019994459974155
Energy: 0.43437512117372185
Energy: 0.3802638290814698
Energy: 0.37757228556524874
Energy: 0.41130751480116345
Energy: 0.39572766024757156
Energy: 0.39169840084304025
Energy: 0.41936889536264993
Energy: 0.38094200859025557
Energy: 0.3775168367385997
Energy: 0.41953827828182727
Energy: 0.3958281750975648
Energy: 0.37760988769252457
Energy: 0.41979464235739183
Energy: 0.38267378234453836
Energy: 0.3827384001214335
Energy: 0.42028834953154887
Energy: 0.3825197021001517
Energy: 0.3806609396484761
Energy: 0.42873110612945436
Energy: 0.3840091463131342
Energy: 0.38006108870098715
Energy: 0.4277936845253494
Energy: 0.3964851038159463
Energy: 0.38266184590485947
Energy: 0.49816322629711157
Energy: 0.38049885463607214
Energy: 0.3954161714382605
Energy: 0.39863952607571923
Energy: 0.40677036419091894
Energy: 0.38027199325307304
Energy: 0.39436496450860087
Energy: 0.38250228448868256
Energy: 0.38241168275111204
Energy: 0.39750646293677994
Energy: 0.384498990022978
Energy: 0.3803143710258075
Energy: 0.394388905505189
Energy: 0.4009508102985143
Energy: 0.380297159742704
Energy: 0.3987732414230963
Energy: 0.4196630068414219
Energy: 0.3928407479051687
Energy: 0.4979108985771971
Energy: 0.4023924669798305
Energy: 0.3916352878491396
Energy: 0.3895414088931781
Energy: 0.4196599221262934
Energy: 0.3972040633858693
Energy: 0.5346216288910228
Energy: 0.4036606977971198
Energy: 0.3933592877808268
Energy: 0.38379159835809445
Energy: 0.4037801206408292
Energy: 0.387146833871575
Energy: 0.49790237237962687
Energy: 0.39548771506220354
Energy: 0.39194554555438593
Energy: 0.3897028248624364
Energy: 0.39204687545761124
Energy: 0.3972187596720903
Energy: 0.41061781358795973
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Energy: 0.3858839665123626
Energy: 0.41080276023763324
Energy: 0.3878549229003707
Energy: 0.39264051591106075
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Energy: 0.3858019875489375
Energy: 0.3893293327595011
Energy: 0.41100061646350566
Energy: 0.39774244741690307
Energy: 0.39543855017901786
Energy: 0.41050959911194235
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Energy: 0.39526117019682955
Energy: 0.40199430870329156
Energy: 0.3888424606225131
Energy: 0.3856005203921688
Energy: 0.44617565456826763
Energy: 0.39696102419965157
Energy: 0.3896023676410232
Energy: 0.38817087023187313
Energy: 0.39535146402773796
Energy: 0.39226666987646036
Energy: 0.43505203831382927
Energy: 0.38681366893246805
Energy: 0.38716325652727124
Energy: 0.3927237361459536
Energy: 0.38647358271087173
Energy: 0.39109380135406746
Energy: 0.4343140685342644
Energy: 0.39320662368582715
Energy: 0.38618971986998146
Energy: 0.3935356720717823
Energy: 0.3935946648186295
Energy: 0.38754993441723384
Energy: 0.43484453934766254
Energy: 0.3950499210247356
Energy: 0.3898756485522434
Energy: 0.39597327445136554
Energy: 0.4036994389159136
Energy: 0.38632899274347154
Energy: 0.4577177038618657
Energy: 0.3960346337292963
Energy: 0.3771577047666085
Energy: 0.3964081286103975
Energy: 0.40068975287796554
Energy: 0.39028633827920395
Energy: 0.4573021482117627
Energy: 0.393712939890726
Energy: 0.3924913444739664
Energy: 0.3963403494526128
Energy: 0.4021814365734643
Energy: 0.3771215925450929
Energy: 0.43486848783451215
Energy: 0.3845746391885123
Energy: 0.39509363245733653
Energy: 0.40511711390346195
Energy: 0.4115155618517803
Energy: 0.390477080923264
Energy: 0.5417381855886687
Energy: 0.38656496637510496
Energy: 0.3864841845978191
Energy: 0.3863923905410885
Energy: 0.4026769519569048
Energy: 0.42113445999544835
Energy: 0.43448524497074026
Energy: 0.38025697372403966
Energy: 0.39748765407872955
Energy: 0.4112123475296001
Energy: 0.3894707614212485
Energy: 0.39553439280003433
Energy: 0.40535674778169867
Energy: 0.3919026511331422
Energy: 0.3871705639486109
Energy: 0.40543088795858
Energy: 0.42773026350809984
Energy: 0.37738762095480044
Energy: 0.4194746744269208
Energy: 0.3803251842943575
Energy: 0.38037876845844526
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Energy: 0.3896143245178676
Energy: 0.3966720174678637
Energy: 0.4194438470175854
Energy: 0.3805845031638386
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Energy: 0.3802501575198473
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Energy: 0.39092085237443924
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Energy: 0.3802006035577414
Energy: 0.3985055196497816
Energy: 0.3932746102837996
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Energy: 0.7039814624516726
Energy: 0.4283883883171728
Energy: 0.38219596812384565
Energy: 0.39755933718354924
Energy: 0.42810165651917864
Energy: 0.38061046095564527
Energy: 0.49807268419589323
Energy: 0.40250689672608597
Energy: 0.3949299833780688
Energy: 0.3931563666660949
Energy: 0.42021984280972696
Energy: 0.3806116432976646
Energy: 0.4268641329641356
Energy: 0.40235504740234596
Energy: 0.39224906333720555
Energy: 0.397498751135541
Energy: 0.4197525146022731
Energy: 0.37945004216554595
Energy: 0.42633800849991493
Energy: 0.39556427430872876
Energy: 0.39225120724428375
Energy: 0.39800504902531075
Energy: 0.3988565834893884
Energy: 0.3918609178880953
Energy: 0.42353908164535314
Energy: 0.38640851752927236
Energy: 0.39145984944890755
Energy: 0.388379221461335
Energy: 0.3869078650745023
Energy: 0.3869821980991178
Energy: 0.41089833899321626
Energy: 0.3888606857399887
Energy: 0.38556907131630364
Energy: 0.4112066541196505
Energy: 0.39705221860243284
Energy: 0.3855292116371851
Energy: 0.41066162883481183
Energy: 0.3880833431982266
Energy: 0.3870181479337378
Energy: 0.4032133133411361
Energy: 0.3878940817924744
Energy: 0.38632378410696
Energy: 0.40325589105851667
Energy: 0.38293670436356514
Energy: 0.3831440363699322
Energy: 0.40327676975966037
Energy: 0.3831873092304681
Energy: 0.3800926226957738
Energy: 0.43429856766230146
Energy: 0.38845554500133866
Energy: 0.38624959313057766
Energy: 0.40331902628966015
Energy: 0.38819692041743775
Energy: 0.3860677681735232
Energy: 0.4332718104508391
Energy: 0.38802253371118534
Energy: 0.3884949659224903
Energy: 0.3930983443484681
Energy: 0.3855706338306824
Energy: 0.3881708862878309
Energy: 0.4351096190752902
Energy: 0.39375828100626376
Energy: 0.38667572705356823
Energy: 0.39603472312858107
Energy: 0.3940974293073653
Energy: 0.3878479272728336
Energy: 0.45751937324581066
Energy: 0.3919367877409369
Energy: 0.3917634323770386
Energy: 0.3963601442980561
Energy: 0.3880808504186531
Energy: 0.3770841619346604

minimum gb energy = 0.3770841619346604 eV
minimum distance =  3.24423675645886 Angstroms
sigma value = 57


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

Energy: 0.31274531824729496
Energy: 0.3796562116552734
Energy: 0.21421663140719313
Energy: 0.21353067299443082
Energy: 0.3795580164965926
Energy: 0.3001883205627201
Energy: 0.4071585776875415
Energy: 0.3645402477294987
Energy: 0.36139884363171193
Energy: 0.37094704641006254
Energy: 0.3608885537266401
Energy: 0.362083014106089
Energy: 0.4089409039504185
Energy: 0.3675729511510819
Energy: 0.36389279358476945
Energy: 0.3632446867495656
Energy: 0.36427139259395014
Energy: 0.3629626695395146
Energy: 0.4089321400767609
Energy: 0.3679648945860193
Energy: 0.3798815183441621
Energy: 0.3697520094230631
Energy: 0.38352360543649416
Energy: 0.3630590854602951
Energy: 0.40668663412376255
Energy: 0.2164110075875509
Energy: 0.21655372358369476
Energy: 0.3523999276747066
Energy: 0.2139781226694848
Energy: 0.36877410016583906
Energy: 0.41884815095388284
Energy: 0.21382004260855575
Energy: 0.21482085825981184
Energy: 0.37080223118959704
Energy: 0.2139932347108796
Energy: 0.2157394274000896
Energy: 0.416038526103735
Energy: 0.36269896943427915
Energy: 0.3925562112635965
Energy: 0.4032249382681928
Energy: 0.384562324218312
Energy: 0.3927200182404269
Energy: 0.41911056468280405
Energy: 0.3935778167147785
Energy: 0.39141273215365935
Energy: 0.40327953447852
Energy: 0.393746427879435
Energy: 0.39247928817964045
Energy: 0.43732548636580365
Energy: 0.3931003972992496
Energy: 0.39217434971771764
Energy: 0.4080862464500452
Energy: 0.3949171153795441
Energy: 0.39344624809979295
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Energy: 0.4013187420059975
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Energy: 0.2140989435591853
Energy: 0.41564565407983667
Energy: 0.21603593451570596
Energy: 0.2141650975294394
Energy: 0.4006381877855628
Energy: 0.4035837803687232
Energy: 0.21410402879508564
Energy: 0.3951535607996037
Energy: 0.21544123756212977
Energy: 0.438859686516408
Energy: 0.39133340254587934
Energy: 0.389989093453601
Energy: 0.3933947174056675
Energy: 0.39441857347785164
Energy: 0.3908788527683339
Energy: 0.6064042910035561
Energy: 0.39452651380492004
Energy: 0.39292999997759875
Energy: 0.39049140431459783
Energy: 0.39415433608205985
Energy: 0.3924571536758406
Energy: 0.4380604258908386
Energy: 0.36390636190757525
Energy: 0.38837952329592146
Energy: 0.40157245351599624
Energy: 0.3976202084534237
Energy: 0.3630962336338256
Energy: 0.4402080050854421
Energy: 0.2134211517586623
Energy: 0.21375371400303894
Energy: 0.4111335911288238
Energy: 0.2136558751502783
Energy: 0.21494254054064796
Energy: 0.3863159393485251
Energy: 0.36634860926693386
Energy: 0.38156915262229746
Energy: 0.36175769191533547
Energy: 0.21726211702321055
Energy: 0.36614631326448815
Energy: 0.38711351006930894
Energy: 0.36197522175749075
Energy: 0.37763689061108413
Energy: 0.36756310122105146
Energy: 0.37477339285168343
Energy: 0.3626112608652064
Energy: 0.40829039668685874
Energy: 0.36643343458590993
Energy: 0.3644656703714461
Energy: 0.3737678272913673
Energy: 0.3624994420546457
Energy: 0.3655932695480748
Energy: 0.3134008852947115
Energy: 0.3629308893531441
Energy: 0.3600488955019427
Energy: 0.21412914223941606
Energy: 0.36381396170308344
Energy: 0.3565490832506111

minimum gb energy = 0.2134211517586623 eV
minimum distance =  3.24140229982638 Angstroms
sigma value = 11


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

Energy: 0.37519059377035463
Energy: 0.3829233272197023
Energy: 0.3848134713909119
Energy: 0.3138514711475534
Energy: 0.38587462497473246
Energy: 0.38380032974903056
Energy: 0.3103324576419137
Energy: 0.3107930488712339
Energy: 0.31041289846925396
Energy: 0.3095522904298254
Energy: 0.30826057162002846
Energy: 0.3076940229496704
Energy: 0.31156123195227964
Energy: 0.3073307663201312
Energy: 0.30721541390096413
Energy: 0.3094586129764086
Energy: 0.3089749996266167
Energy: 0.30673583540418037
Energy: 0.3115142258794302
Energy: 0.3075350734911689
Energy: 0.3067406917845942
Energy: 0.30937318901053495
Energy: 0.30883383883421656
Energy: 0.3072817227419454
Energy: 0.3102234178181679
Energy: 0.3459075895925435
Energy: 0.3458023350307737
Energy: 0.3086979003253886
Energy: 0.34658775384005597
Energy: 0.3090777992915631
Energy: 0.33127568595676443
Energy: 0.31080288726064975
Energy: 0.309934879296417
Energy: 0.3087421475373768
Energy: 0.31072481565421617
Energy: 0.34685925533328127
Energy: 0.33284258756038615
Energy: 0.3078689495080189
Energy: 0.3072205522268157
Energy: 0.3084930506406332
Energy: 0.3087748817312493
Energy: 0.30715344954546087
Energy: 0.31895577201957903
Energy: 0.3089525079817551
Energy: 0.3072647540517948
Energy: 0.3101806186987568
Energy: 0.30850985173047457
Energy: 0.3068753847996629
Energy: 0.33235127930918307
Energy: 0.3087079582241788
Energy: 0.30729059963605415
Energy: 0.3088255356980232
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Energy: 0.30751403005286476
Energy: 0.3106563975674092
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Energy: 0.3460751840474706
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Energy: 0.3084472369311092
Energy: 0.3088328493474463
Energy: 0.3064111508194821
Energy: 0.3948441002248993
Energy: 0.3842977230047235
Energy: 0.3843060137025675
Energy: 0.38421143486873455
Energy: 0.38423107076938373
Energy: 0.3840398814475645
Energy: 0.39519005021719344
Energy: 0.30758171497640735
Energy: 0.3078171655979073
Energy: 0.3480226815590712
Energy: 0.32043235772815626
Energy: 0.3480795616190622
Energy: 0.48541357348885333
Energy: 0.38519914105919384
Energy: 0.3844352176829158
Energy: 0.346140560091606
Energy: 0.34604308436174624
Energy: 0.3843630971649435
Energy: 0.5416727310184203
Energy: 0.30818931227082663
Energy: 0.30470259930584487
Energy: 0.32006141526968135
Energy: 0.31709387731763794
Energy: 0.30945834981782544
Energy: 0.6261933555550959
Energy: 0.3469455811283533
Energy: 0.3468380490438706
Energy: 0.3046501536348258
Energy: 0.3471560776576182
Energy: 0.34700649060749283
Energy: 0.48537111404104766
Energy: 0.30899356764875163
Energy: 0.3072950072901165
Energy: 0.3068855708923655
Energy: 0.309768206499837
Energy: 0.3073485073846282
Energy: 0.4331171206946176
Energy: 0.3201223273481266
Energy: 0.3176788381839592
Energy: 0.30954440966731117
Energy: 0.32056926082323095
Energy: 0.31186619215772904
Energy: 0.4851765304082529
Energy: 0.3465031059178943
Energy: 0.3465451580210527
Energy: 0.3471047538425432
Energy: 0.38305962638260804
Energy: 0.3464848161491442
Energy: 0.31211974782562385
Energy: 0.30709799852648034
Energy: 0.3133320538370877
Energy: 0.4284984190759223
Energy: 0.30439218345348806
Energy: 0.3855730418242822
Energy: 0.31262230586941875
Energy: 0.3477203030948621
Energy: 0.3472666814213413
Energy: 0.3461698643370418
Energy: 0.308274632380747
Energy: 0.3472494740531698
Energy: 0.31307768195094926
Energy: 0.3075191175277574
Energy: 0.30826574065930185
Energy: 0.3084483241741784
Energy: 0.30905327064206745
Energy: 0.307466157863974
Energy: 0.31446971917573524
Energy: 0.30835842319764517
Energy: 0.30806638072282705
Energy: 0.3100718150691905
Energy: 0.30901970094333436
Energy: 0.3065484311333094
Energy: 0.34460075149774955
Energy: 0.3084037790378735
Energy: 0.3087229266080657
Energy: 0.3462516572902817
Energy: 0.30890184214077926
Energy: 0.30470471650938746

minimum gb energy = 0.30420275081976333 eV
minimum distance =  3.28174159155326 Angstroms
sigma value = 41


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

Energy: 0.8417850927809533
Energy: 0.3560449545867856
Energy: 0.324006938017205
Energy: 0.3566356057811511
Energy: 0.4157380119461024
Energy: 0.3788838039109672
Energy: 0.40969166848191485
Energy: 0.32884042920738077
Energy: 0.3286123033265192
Energy: 0.3335808825453199
Energy: 0.3294793017780177
Energy: 0.32880797566004133
Energy: 0.4145446308713445
Energy: 0.4083034434142034
Energy: 0.3293521612065223
Energy: 0.33037177396679895
Energy: 0.3291053707545248
Energy: 0.4081845245246494
Energy: 0.41444642281606336
Energy: 0.33077325545554065
Energy: 0.3311033656436837
Energy: 0.4066479272161092
Energy: 0.32947690015758796
Energy: 0.3325500168546946
Energy: 0.4091229081922132
Energy: 0.37235773555313373
Energy: 0.3727838654723087
Energy: 0.3296885612128589
Energy: 0.37480881098629637
Energy: 0.32961587349441357
Energy: 0.5160288667085031
Energy: 0.3701575904145205
Energy: 0.3710597376055192
Energy: 0.408366086740234
Energy: 0.3700544803413525
Energy: 0.37173877520632004
Energy: 0.34152572480973015
Energy: 0.3290614538680621
Energy: 0.3290240744526732
Energy: 0.3334008863565274
Energy: 0.3288796571343508
Energy: 0.3293729756841653
Energy: 0.40481422279347123
Energy: 0.41231015138748206
Energy: 0.4109487392923074
Energy: 0.3691974890923661
Energy: 0.41079476378104063
Energy: 0.39373103256412273
Energy: 0.5163687383504403
Energy: 0.329636955612104
Energy: 0.3286010307467747
Energy: 0.3334875788363555
Energy: 0.33022183833565955
Energy: 0.32854114318396005
Energy: 0.42590460274691055
Energy: 0.41037140388518145
Energy: 0.4093163781608624
Energy: 0.37626938750412486
Energy: 0.4091390239588481
Energy: 0.41100529776131356
Energy: 0.42554948468801124
Energy: 0.40473325904352553
Energy: 0.4044923821179498
Energy: 0.3755995116438691
Energy: 0.4052493367659812
Energy: 0.4043920263262708
Energy: 0.5164227778010736
Energy: 0.37087480271988293
Energy: 0.370840272684625
Energy: 0.4030607127618603
Energy: 0.37213084150933284
Energy: 0.40369923397166074
Energy: 0.4485341379580821
Energy: 0.3721437007099911
Energy: 0.37164273739810505
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Energy: 0.37212473450561
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Energy: 0.432819473174281
Energy: 0.40937535506371014
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Energy: 0.4221968628984036
Energy: 0.4092303360777631
Energy: 0.40954625612899553
Energy: 0.4340843684143474
Energy: 0.4185160432150944
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Energy: 0.4226229710963562
Energy: 0.4185942530982152
Energy: 0.4186536757552523
Energy: 0.4317207012977127
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Energy: 0.4096653307991089
Energy: 0.4061076611272421
Energy: 0.41006832617402267
Energy: 0.41115686137679835
Energy: 0.38913329257973517
Energy: 0.4047256265091677
Energy: 0.3219092557719044
Energy: 0.32765351556839833
Energy: 0.40488762690586394
Energy: 0.32544619541752096
Energy: 0.34871252615463094
Energy: 0.4090475879076079
Energy: 0.40924534785485944
Energy: 0.32244307686898593
Energy: 0.40928347860271713
Energy: 0.32352915741057264
Energy: 0.43001509620641304
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Energy: 0.419253967613056
Energy: 0.4183854145143337
Energy: 0.4191541975063087
Energy: 0.41936730940823036
Energy: 0.43002686019058667
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Energy: 0.4062377266027072
Energy: 0.42395151250965424
Energy: 0.4199246305293164
Energy: 0.4191663451213516
Energy: 0.4312604880933831
Energy: 0.40945613486556093
Energy: 0.40983015016710345
Energy: 0.4134559749362885
Energy: 0.4093510796433161
Energy: 0.40999973267759654
Energy: 0.5815570328253202
Energy: 0.38176127733132353
Energy: 0.38154742444457784
Energy: 0.47057899118871266
Energy: 0.39149836747528005
Energy: 0.3717823464401577
Energy: 0.5164160763199244
Energy: 0.409163151435016
Energy: 0.4092944805284219
Energy: 0.4113645255433876
Energy: 0.4089207371931626
Energy: 0.4095273613593931
Energy: 0.40484427034299614
Energy: 0.41341879220366445
Energy: 0.41124574514458956
Energy: 0.3689500573027443
Energy: 0.4101787901523217
Energy: 0.37083179308704345
Energy: 0.5164653977956438
Energy: 0.4088102789833727
Energy: 0.4100312087767581
Energy: 0.41077991457806196
Energy: 0.4088493062316934
Energy: 0.40929569850299724
Energy: 0.4256455580770749
Energy: 0.3348067641004663
Energy: 0.3348194242922039
Energy: 0.3758427945583967
Energy: 0.33546491718397237
Energy: 0.3348612212131775
Energy: 0.42602120773186364
Energy: 0.3292096996226948
Energy: 0.3291030242175456
Energy: 0.3759800539890892
Energy: 0.3292031774919218
Energy: 0.32983027636855833
Energy: 0.5166302725948666
Energy: 0.3733676495109448
Energy: 0.33674064081330773
Energy: 0.3292378155762382
Energy: 0.37142182593944717
Energy: 0.32239807988213304
Energy: 0.4123380519516285
Energy: 0.3705004069312077
Energy: 0.37513073545111747
Energy: 0.3308493179097563
Energy: 0.3720959997335185
Energy: 0.37542039267068555
Energy: 0.41172408998442606
Energy: 0.33495127890101223
Energy: 0.3348769112136351
Energy: 0.4026509740105235
Energy: 0.3349894630194217
Energy: 0.33486639958729875
Energy: 0.4163090753638015
Energy: 0.3293360846315074
Energy: 0.4045959803458085
Energy: 0.40725583672634996
Energy: 0.4042193805528105
Energy: 0.4060814439832568
Energy: 0.4075663679935431
Energy: 0.3289706379613365
Energy: 0.33259275607841504
Energy: 0.3282535343050603
Energy: 0.3292142284539505
Energy: 0.40427234201476236
Energy: 0.4476217568916925
Energy: 0.3301945704189541
Energy: 0.32304626840832834
Energy: 0.3262142574449769
Energy: 0.33042145647887416
Energy: 0.36996596138596166

minimum gb energy = 0.3219092557719044 eV
minimum distance =  3.12583205139337 Angstroms
sigma value = 33


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

Energy: 0.4214579969345224
Energy: 0.3786342670667245
Energy: 0.37219190292328025
Energy: 0.36909007361526686
Energy: 0.37310377329946404
Energy: 0.3722982113401225
Energy: 0.3632953380335806
Energy: 0.3538037232516046
Energy: 0.3541008521647581
Energy: 0.3532711303240064
Energy: 0.35428231398172166
Energy: 0.3541943401718465
Energy: 0.36279807941739994
Energy: 0.35374070026563154
Energy: 0.352641780801866
Energy: 0.35310308204934554
Energy: 0.3532420943351682
Energy: 0.35239757963975327
Energy: 0.3627934600789644
Energy: 0.3527900638583078
Energy: 0.3521597383835067
Energy: 0.3522970385977037
Energy: 0.35278045045731754
Energy: 0.3529485893008416
Energy: 0.3626293470851298
Energy: 0.3545387220341047
Energy: 0.35321903961745754
Energy: 0.3552477054393479
Energy: 0.3547785639278198
Energy: 0.35462239936076156
Energy: 0.3620385427945739
Energy: 0.3548313534136824
Energy: 0.3543572327898918
Energy: 0.3540701994991133
Energy: 0.3555314320956607
Energy: 0.354585952345964
Energy: 0.3840715256123816
Energy: 0.35241865998261745
Energy: 0.35362163476153874
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Energy: 0.352618106587094
Energy: 0.37853976035125686
Energy: 0.3676763058843163
Energy: 0.36769633490179227
Energy: 0.3477650186452821
Energy: 0.35232654127921514
Energy: 0.36807943042940344
Energy: 0.3840119920935296
Energy: 0.35308115255129824
Energy: 0.3522414524479152
Energy: 0.366107284277298
Energy: 0.3493076181961309
Energy: 0.35233559010584364
Energy: 0.4068275732500169
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Energy: 0.35310595823680707
Energy: 0.3525466948058365
Energy: 0.34925710459373654
Energy: 0.3530735207021989
Energy: 0.3526736416871177
Energy: 0.3977265044582998
Energy: 0.35245703383824895
Energy: 0.3776976319451439
Energy: 0.379451472873087
Energy: 0.35247827056980074
Energy: 0.37784708424459834
Energy: 0.3637746988060994
Energy: 0.3549341111211928
Energy: 0.3523533013380358
Energy: 0.35213767371143484
Energy: 0.35323804448648266
Energy: 0.35457091431320453
Energy: 0.4328445998795365
Energy: 0.3522182153804988
Energy: 0.3473824563258915
Energy: 0.3463252633560719
Energy: 0.3524943226735888
Energy: 0.34688391361866733

minimum gb energy = 0.3463252633560719 eV
minimum distance =  3.27797210413746 Angstroms
sigma value = 67


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

Energy: 0.5712768498997474
Energy: 0.3904955839369269
Energy: 0.4065038529483768
Energy: 0.4056728975513662
Energy: 0.390335123050401
Energy: 0.40662482875850525
Energy: 0.4033378109890388
Energy: 0.3844146458128531
Energy: 0.3843437512585016
Energy: 0.38401625099786874
Energy: 0.3843471652423019
Energy: 0.38426192459213765
Energy: 0.3877921782698568
Energy: 0.3636830370650663
Energy: 0.37321273451403963
Energy: 0.37355507720202774
Energy: 0.3643426727896614
Energy: 0.373046717865748
Energy: 0.3876802059763025
Energy: 0.37382412691328587
Energy: 0.37316496583011344
Energy: 0.37379272709483413
Energy: 0.3732049000201786
Energy: 0.37437264509264834
Energy: 0.4026038633810038
Energy: 0.3845676558019423
Energy: 0.38457038878990885
Energy: 0.38769472594174703
Energy: 0.38448872010202084
Energy: 0.3848405045825815
Energy: 0.40310723510203805
Energy: 0.37973670288246064
Energy: 0.3858143638905242
Energy: 0.3851685806378888
Energy: 0.38175574697315373
Energy: 0.38600060999473323
Energy: 0.41375714198127467
Energy: 0.38498025577196704
Energy: 0.38421872645948646
Energy: 0.36387239112329334
Energy: 0.38438401511202197
Energy: 0.38431643240867486

minimum gb energy = 0.3636830370650663 eV
minimum distance =  3.31064337278133 Angstroms
sigma value = 3


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

Energy: 0.5677813806726132
Energy: 0.4617002454738813
Energy: 0.40056572614234653
Energy: 0.4438919092884857
Energy: 0.461085154122617
Energy: 0.42725567097930617
Energy: 0.46442584900363226
Energy: 0.44542595495187204
Energy: 0.4438553955487554
Energy: 0.4185975702237418
Energy: 0.42133699311192907
Energy: 0.42001668342348086
Energy: 0.4889028163626493
Energy: 0.441621263850336
Energy: 0.4372591127077717
Energy: 0.44784353395733906
Energy: 0.44220401443321966
Energy: 0.4619232762376899
Energy: 0.4636424995250509
Energy: 0.4196170716118737
Energy: 0.42172144866322714
Energy: 0.417816007703148
Energy: 0.44044782422618395
Energy: 0.42112614269397786
Energy: 0.46543994234413244
Energy: 0.4104346102893004
Energy: 0.45977581200942125
Energy: 0.411753067440159
Energy: 0.4083455414262389
Energy: 0.41046233926391945
Energy: 0.47920816657663545
Energy: 0.41614899120756577
Energy: 0.4104243245952835
Energy: 0.43973784919174147
Energy: 0.4104530746120649
Energy: 0.41329329702389367
Energy: 0.4658273636426549
Energy: 0.4115135957136956
Energy: 0.41053066635435126
Energy: 0.45567685448605233
Energy: 0.4096456890582019
Energy: 0.4094073923799578
Energy: 0.5511433889305922
Energy: 0.48577468997907436
Energy: 0.46948386767418754
Energy: 0.4585595382520221
Energy: 0.4886448250400316
Energy: 0.46082496700971787
Energy: 0.4659492258708618
Energy: 0.4549252532877951
Energy: 0.4787761844474731
Energy: 0.4120966449866899
Energy: 0.4556974980033721
Energy: 0.478657372443782
Energy: 0.4866662352304944
Energy: 0.4684611310799779
Energy: 0.472010089752563
Energy: 0.48523853925154314
Energy: 0.46653083441569104
Energy: 0.45428811698671023
Energy: 0.47067790009639454
Energy: 0.43227793868772707
Energy: 0.4443532127380958
Energy: 0.47684867142309234
Energy: 0.42666340583751977
Energy: 0.4579357412424541
Energy: 0.4818693577176781
Energy: 0.45431566522420347
Energy: 0.4561845353179236
Energy: 0.4639252022056299
Energy: 0.4559350741907997
Energy: 0.45787425246815583
Energy: 0.4480076927270849
Energy: 0.45716643212814384
Energy: 0.4569296494633091
Energy: 0.42579766088577137
Energy: 0.4585569672329606
Energy: 0.4575517835912799
Energy: 0.49084583691167916
Energy: 0.47389619717340864
Energy: 0.46774015171068983
Energy: 0.47498355520033786
Energy: 0.4730566478410522
Energy: 0.46608049584902433
Energy: 0.49115749110364687
Energy: 0.4926141620289797
Energy: 0.47859690946719835
Energy: 0.44808708980397843
Energy: 0.47721929477526326
Energy: 0.47894772166317207
Energy: 0.5155291734676918
Energy: 0.4784932665543047
Energy: 0.47967347109068287
Energy: 0.47601174374565125
Energy: 0.47256771118440355
Energy: 0.47964846144680895
Energy: 0.5167362516381487
Energy: 0.4649036731448527
Energy: 0.46595064700377453
Energy: 0.469984596250437
Energy: 0.4647813019442493
Energy: 0.4333918593389035
Energy: 0.5242505405322281
Energy: 0.4612378587341503
Energy: 0.49627743407516783
Energy: 0.47680356229491266
Energy: 0.47543904459993946
Energy: 0.4817844698832181
Energy: 0.4946175247528457
Energy: 0.47290207381805044
Energy: 0.4727644506167475
Energy: 0.45840492151048795
Energy: 0.47606463043906555
Energy: 0.46134933949342743
Energy: 0.48040017524598116
Energy: 0.4848587549726817
Energy: 0.48542880276003986
Energy: 0.4615552369448239
Energy: 0.48608648330567994
Energy: 0.4618829758711761
Energy: 0.4691827081837351
Energy: 0.45830829275502244
Energy: 0.45154678716670965
Energy: 0.4513880534018687
Energy: 0.45752561084682625
Energy: 0.45187362628894523
Energy: 0.4650570426321396
Energy: 0.4516989276082698
Energy: 0.451680282014138
Energy: 0.4533627103910427
Energy: 0.45112865046530587
Energy: 0.44930842093158163
Energy: 0.4689721823964341
Energy: 0.452735095060704
Energy: 0.45177923915135865
Energy: 0.45001786468305705
Energy: 0.4522906221843147
Energy: 0.45180716437742385
Energy: 0.477517583918619
Energy: 0.4544407597520279
Energy: 0.4551693191964984
Energy: 0.4775015998211032
Energy: 0.45795236385263827
Energy: 0.4881326251557277
Energy: 0.4798589301390834
Energy: 0.4768307261487601
Energy: 0.4766872387484242
Energy: 0.4719885905732024
Energy: 0.4924815079511711
Energy: 0.47532187260869685
Energy: 0.49203498827315967
Energy: 0.4919897772706664
Energy: 0.41525308369934194
Energy: 0.41397536752445707
Energy: 0.49245169021685054
Energy: 0.41932526178764545
Energy: 0.41643072271488013
Energy: 0.49195372426093165
Energy: 0.4260775419307498
Energy: 0.42392664157299875
Energy: 0.49227883741849016
Energy: 0.4276100432978247
Energy: 0.4800321248221663
Energy: 0.47415015245886133
Energy: 0.47584237761056974
Energy: 0.4762772815591146
Energy: 0.4747927011527442
Energy: 0.4752461384289624
Energy: 0.4776492840985192
Energy: 0.43715092610388323
Energy: 0.4419493297678119
Energy: 0.47806178627696777
Energy: 0.44151542478924694
Energy: 0.4780517333850313
Energy: 0.49578094292863323
Energy: 0.46046253790743324
Energy: 0.46122275368180987
Energy: 0.49478256174848834
Energy: 0.4545687646432354
Energy: 0.46084034070641056
Energy: 0.481126309575437
Energy: 0.4705455002845364
Energy: 0.4712133207893242
Energy: 0.4714317297605087
Energy: 0.4718493352980399
Energy: 0.4710158080557195
Energy: 0.46707395267185653
Energy: 0.4620629286813661
Energy: 0.46192754239967293
Energy: 0.4571979301245111
Energy: 0.460175115311883
Energy: 0.4606115541423838
Energy: 0.4993037114368824
Energy: 0.48250943106829125
Energy: 0.4792260777536237
Energy: 0.4523726417651302
Energy: 0.4582351562068714
Energy: 0.45003548474636274
Energy: 0.4842771424999898
Energy: 0.4809439892407642
Energy: 0.4563814704661782
Energy: 0.45017286761369923
Energy: 0.4844862027936221
Energy: 0.45699034831505614
Energy: 0.46635972701584627
Energy: 0.45728747524632135
Energy: 0.4538489175993376
Energy: 0.45808186141853463
Energy: 0.44746193776105786
Energy: 0.4588025330153082
Energy: 0.4884800060628577
Energy: 0.4646805112897896
Energy: 0.4757232271003327
Energy: 0.45536872132799944
Energy: 0.4672444592843882
Energy: 0.44068587421269934
Energy: 0.48126911475162015
Energy: 0.4583306326708739
Energy: 0.45935253010867255
Energy: 0.4594104537233537
Energy: 0.45608378877307454
Energy: 0.46037598787993117
Energy: 0.44613264205823017
Energy: 0.45882609123635
Energy: 0.4596428946285968
Energy: 0.4296042896411415
Energy: 0.4543885016724528
Energy: 0.45777327883804475
Energy: 0.4703861783707834
Energy: 0.45603923848121225
Energy: 0.45905348179212563
Energy: 0.4551910429655443
Energy: 0.4621269646230599
Energy: 0.4573259070458279
Energy: 0.4621267940066948
Energy: 0.4788790280027401
Energy: 0.47690274564569457
Energy: 0.43589056004121335
Energy: 0.4781973052610008
Energy: 0.4756044252309391
Energy: 0.5154196141140516
Energy: 0.4727036153383982
Energy: 0.4811334523782112
Energy: 0.4814794005376529
Energy: 0.4716319882598916
Energy: 0.4842040830693748
Energy: 0.5047905962162905
Energy: 0.43912443685952157
Energy: 0.43683025040126705
Energy: 0.5033312674284578
Energy: 0.46479827103360954
Energy: 0.49243999564361624
Energy: 0.5551042271136534
Energy: 0.45141224223683735
Energy: 0.4499846082817563
Energy: 0.4907946205764891
Energy: 0.4515637934088126
Energy: 0.4585869428541369
Energy: 0.5205070233605115
Energy: 0.4748865838064487
Energy: 0.4776072593042431
Energy: 0.43345452719170613
Energy: 0.4712111367850363
Energy: 0.4789544745044671
Energy: 0.5299658765074956
Energy: 0.42075490637646223
Energy: 0.4704925991075608
Energy: 0.48398043966391163
Energy: 0.42366042918505264
Energy: 0.4644861807020831
Energy: 0.46797787405526714
Energy: 0.4011337702916723
Energy: 0.40425909064066257
Energy: 0.403060833762461
Energy: 0.4045923918576481
Energy: 0.39919692232842496
Energy: 0.4664947575561648
Energy: 0.4067707645427416
Energy: 0.4013153106415415
Energy: 0.45324253235126877
Energy: 0.4029459292850283
Energy: 0.40466777744265736
Energy: 0.46734805241260796
Energy: 0.40255166362613115
Energy: 0.45395102845204716
Energy: 0.40421445186069976
Energy: 0.4033137841641175
Energy: 0.4049950076879045
Energy: 0.48042308410728163
Energy: 0.45212300446809456
Energy: 0.4192568966428099
Energy: 0.4386495688142749
Energy: 0.4522413995835004
Energy: 0.4334051998670524
Energy: 0.47542857923742904
Energy: 0.4519249754738876
Energy: 0.450371204986809
Energy: 0.43757349899086656
Energy: 0.45213212773825867
Energy: 0.46594413951540287
Energy: 0.4377045822615507
Energy: 0.44071399635996994
Energy: 0.4403861757866581
Energy: 0.41269358783455473
Energy: 0.42497852668276553
Energy: 0.4198626851882635

minimum gb energy = 0.39919692232842496 eV
minimum distance =  3.24666512939847 Angstroms
sigma value = 81


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

Energy: 0.8793037157156414
Energy: 0.4470696895142797
Energy: 0.41734668310947265
Energy: 0.4186772184729424
Energy: 0.44855888444903175
Energy: 0.45442432752922
Energy: 0.4762448954006409
Energy: 0.4068083776685089
Energy: 0.4010448309375472
Energy: 0.4098959060856858
Energy: 0.4264710466271834
Energy: 0.4236606334591133
Energy: 0.4767367751959265
Energy: 0.4267191121615365
Energy: 0.4262256325732133
Energy: 0.4081708135066994
Energy: 0.42752241652605244
Energy: 0.4760707775728288
Energy: 0.49059846346319164
Energy: 0.42729671151314597
Energy: 0.4239553395658815
Energy: 0.4443800849292398
Energy: 0.42282254030624555
Energy: 0.3932073876211952
Energy: 0.49769159986419603
Energy: 0.4219931578827304
Energy: 0.4220627719533233
Energy: 0.4274538243715004
Energy: 0.4267022998046792
Energy: 0.42401879328772846
Energy: 0.45696725414311645
Energy: 0.4265714910622229
Energy: 0.42361669214739295
Energy: 0.4267447174367205
Energy: 0.4205857626396016
Energy: 0.4249399574723208
Energy: 0.540529837804791
Energy: 0.49649918100067736
Energy: 0.49722145353667396
Energy: 0.5097089918079214
Energy: 0.398806141566091
Energy: 0.4961787228556035
Energy: 0.5456957419472341
Energy: 0.5094509352132663
Energy: 0.5009688419328436
Energy: 0.45820315718612203
Energy: 0.500969708737854
Energy: 0.49746908144013363
Energy: 0.4987952815154756
Energy: 0.5077388239878703
Energy: 0.5080666476626651
Energy: 0.4906635432633849
Energy: 0.46162263315798235
Energy: 0.4959578063564585
Energy: 0.5033767035905465
Energy: 0.4604177023237222
Energy: 0.46032979079738223
Energy: 0.48915956058122745
Energy: 0.46034926621753774
Energy: 0.4605064957252357
Energy: 0.5003760229025728
Energy: 0.41097362828175366
Energy: 0.4530885474480646
Energy: 0.4902245031017319
Energy: 0.4122263484516924
Energy: 0.47388680332032407
Energy: 0.44021648036912003
Energy: 0.4656550534208561
Energy: 0.4631537290868752
Energy: 0.424774561363427
Energy: 0.46248666938201455
Energy: 0.46339842690119676
Energy: 0.4444087402420279
Energy: 0.4625998506125725
Energy: 0.4622499336148365
Energy: 0.427541199722819
Energy: 0.4708774020766904
Energy: 0.4270571722204243
Energy: 0.5063642494392238
Energy: 0.480508649857846
Energy: 0.4713559880554518
Energy: 0.47336927690451475
Energy: 0.48091853624515535
Energy: 0.474363640095668
Energy: 0.5256910667683469
Energy: 0.5095503119358145
Energy: 0.4908288083575508
Energy: 0.49529406849432767
Energy: 0.493580628367817
Energy: 0.4919932838951678
Energy: 0.5061842776307448
Energy: 0.4881712934363926
Energy: 0.4902433864711038
Energy: 0.472397717656903
Energy: 0.5053882633490165
Energy: 0.4902036858164385
Energy: 0.5566843637079789
Energy: 0.45844019614826936
Energy: 0.45916028747850895
Energy: 0.5063166476609614
Energy: 0.45865046699291123
Energy: 0.4555845539573427
Energy: 0.555988035611607
Energy: 0.5064021925492911
Energy: 0.5023923406945088
Energy: 0.4980267424690654
Energy: 0.5050576700391386
Energy: 0.5022151014162287
Energy: 0.4684080284657654
Energy: 0.48501831440557447
Energy: 0.4232513581198197
Energy: 0.4202742014076679
Energy: 0.4845594069652224
Energy: 0.42307053609457773
Energy: 0.47504580111631695
Energy: 0.48502936051516304
Energy: 0.4225452760951408
Energy: 0.4227546652165553
Energy: 0.4842234250785679
Energy: 0.42384179697952523
Energy: 0.48112152458415613
Energy: 0.4716980080795301
Energy: 0.4610556683681688
Energy: 0.45959864334308725
Energy: 0.4759271501358155
Energy: 0.46041506812786126
Energy: 0.47783361306137756
Energy: 0.4280207399537422
Energy: 0.4282537576649269
Energy: 0.4760067223629948
Energy: 0.4278715282170834
Energy: 0.4356810825836089
Energy: 0.4999261937736692
Energy: 0.468017508665963
Energy: 0.4711547880970809
Energy: 0.4877808129649406
Energy: 0.4712303162887958
Energy: 0.4723890116356728
Energy: 0.5024600490177924
Energy: 0.4933508886121942
Energy: 0.4940069984324086
Energy: 0.4946872302348874
Energy: 0.4925838390643502
Energy: 0.49411356580363813
Energy: 0.49788035683141024
Energy: 0.4912839985184664
Energy: 0.4919322256628872
Energy: 0.48935564589342917
Energy: 0.4907350331863036
Energy: 0.489755343853152
Energy: 0.49000203799453856
Energy: 0.4977685244225334
Energy: 0.4986647926053136
Energy: 0.45569777743632234
Energy: 0.5034873256022788
Energy: 0.5031564411186649
Energy: 0.4902298041205197
Energy: 0.5039870521085541
Energy: 0.5000190773619234
Energy: 0.46010132756262484
Energy: 0.5051867167954033
Energy: 0.5029627027239288
Energy: 0.5189181851531001
Energy: 0.44725622375104895
Energy: 0.4911181749247712
Energy: 0.5052132477812667
Energy: 0.44697403391894536
Energy: 0.4922414698800231
Energy: 0.5153686199492648
Energy: 0.46019790165079183
Energy: 0.4597225498520588
Energy: 0.4916665319468636
Energy: 0.4600078674778446
Energy: 0.4693246601935101
Energy: 0.4871383792501683
Energy: 0.46521067605436894
Energy: 0.4666264348661729
Energy: 0.47847482910979255
Energy: 0.4615317196081832
Energy: 0.47095896398502335
Energy: 0.4403920382817455
Energy: 0.462844892745995
Energy: 0.4630806291080922
Energy: 0.42687863201939913
Energy: 0.4780869274370008
Energy: 0.4272072694647454
Energy: 0.511265820179279
Energy: 0.4710737115487466
Energy: 0.4690136265205205
Energy: 0.4732325962267674
Energy: 0.4246544892335299
Energy: 0.46842250180365946
Energy: 0.5301923617354117
Energy: 0.41820187029584904
Energy: 0.4211865225332141
Energy: 0.42008935386392443
Energy: 0.41800080612289664
Energy: 0.417991863214616
Energy: 0.5297959210786629
Energy: 0.4222854503600627
Energy: 0.4209108546681652
Energy: 0.4290252179731623
Energy: 0.4250297133700571
Energy: 0.42909826283010777
Energy: 0.5297079330769778
Energy: 0.45390455665576873
Energy: 0.4196897249641367
Energy: 0.4689134254321388
Energy: 0.4528797959019134
Energy: 0.4539044440598825
Energy: 0.5324486718312115
Energy: 0.45842783541864995
Energy: 0.458571833718667
Energy: 0.4542607660906085
Energy: 0.4580434637097037
Energy: 0.5129091192711502
Energy: 0.47741465567565067
Energy: 0.4402659731638373
Energy: 0.45147787323341954
Energy: 0.41297045319384185
Energy: 0.42966944154984327
Energy: 0.4517954147486296
Energy: 0.5086284748965463
Energy: 0.4268037727321812
Energy: 0.42542402607089874
Energy: 0.42512771097121776
Energy: 0.4263777198690192
Energy: 0.4610094139489905

minimum gb energy = 0.3932073876211952 eV
minimum distance =  3.21151635044131 Angstroms
sigma value = 43


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

Energy: 0.5778554001302205
Energy: 0.4230295549480835
Energy: 0.4042207904925476
Energy: 0.46314602761066165
Energy: 0.417800059460493
Energy: 0.4740068404676076
Energy: 0.42397782631118286
Energy: 0.39401059920058346
Energy: 0.3843971451272481
Energy: 0.42214494838412897
Energy: 0.39396066146491093
Energy: 0.40112599572856406
Energy: 0.41778539115300145
Energy: 0.4161040437616607
Energy: 0.4157704937651561
Energy: 0.4378165547196866
Energy: 0.41595101802405454
Energy: 0.4264154400458212
Energy: 0.4400034930496673
Energy: 0.4143001244704991
Energy: 0.4169685245093703
Energy: 0.439973454829602
Energy: 0.4157736263892553
Energy: 0.4038719966334057
Energy: 0.39308063585002884
Energy: 0.3824846338983589
Energy: 0.3824843806367806
Energy: 0.3824759752091052
Energy: 0.38247746852283254
Energy: 0.3825778832429012
Energy: 0.3941604674541033
Energy: 0.3825142677525998
Energy: 0.38264340075929354
Energy: 0.3826631437450948
Energy: 0.38314238460436933
Energy: 0.38272920088690005
Energy: 0.39377712492644373
Energy: 0.38264292829995894
Energy: 0.38309542715485706
Energy: 0.382996077752405
Energy: 0.39281637089764443
Energy: 0.38230914204396005
Energy: 0.4366399751396355
Energy: 0.42706441391391453
Energy: 0.42613022593664124
Energy: 0.40926929564637404
Energy: 0.4344339057280924
Energy: 0.4285684546248023
Energy: 0.3946414371203072
Energy: 0.4294932974518976
Energy: 0.42429910112269165
Energy: 0.39118795934334377
Energy: 0.42261526796573007
Energy: 0.4137552602423502
Energy: 0.4632033396880248
Energy: 0.4316640837579848
Energy: 0.4334428789800686
Energy: 0.4326487509817614
Energy: 0.44641430604726917
Energy: 0.443043676928067
Energy: 0.39601589568980033
Energy: 0.44823708872962126
Energy: 0.44690704204712556
Energy: 0.39165700101993833
Energy: 0.3991695321565125
Energy: 0.39317826408236045
Energy: 0.4531037307309415
Energy: 0.4293395712863317
Energy: 0.4242188975925465
Energy: 0.3841004995112696
Energy: 0.4224581986529357
Energy: 0.42413003655580034
Energy: 0.45418502543269473
Energy: 0.42858186640511514
Energy: 0.4481664382812724
Energy: 0.41744605575996724
Energy: 0.4288730560816248
Energy: 0.4395475151691515
Energy: 0.3956720206605744
Energy: 0.3925541185327004
Energy: 0.3933075376398345
Energy: 0.390747184281167
Energy: 0.39136720826979193
Energy: 0.3931179164775926
Energy: 0.3952705122332544
Energy: 0.36466090047252336
Energy: 0.3926098905032478
Energy: 0.394983410942942
Energy: 0.3840562615503868
Energy: 0.39273380800071167
Energy: 0.39338521055111947
Energy: 0.3823978994664263
Energy: 0.426560226846463
Energy: 0.3934945006311513
Energy: 0.3828965974239898
Energy: 0.3944790928486499
Energy: 0.4084595136650959
Energy: 0.4060631957723182
Energy: 0.40646530069413633
Energy: 0.40737122292015543
Energy: 0.39848876657785426
Energy: 0.40599825773696435
Energy: 0.40838262047234714
Energy: 0.4069309417941588
Energy: 0.4065592730335866
Energy: 0.40662152001346225
Energy: 0.4054824466488353
Energy: 0.4044144637148897
Energy: 0.4786016542089606
Energy: 0.4058921000208814
Energy: 0.40584830273102146
Energy: 0.420207970897938
Energy: 0.407780883804165
Energy: 0.42989236164971795
Energy: 0.47912080960482795
Energy: 0.4055418084959215
Energy: 0.4055028700408456
Energy: 0.4327885287386988
Energy: 0.4064538486297089
Energy: 0.42890284462075706
Energy: 0.40858136137270107
Energy: 0.40460427654916514
Energy: 0.40588119185092303
Energy: 0.40639306623766347
Energy: 0.39990587460004157
Energy: 0.4052672320654898
Energy: 0.4342729940302519
Energy: 0.4429352807301147
Energy: 0.4552462175649272
Energy: 0.43330262564019006
Energy: 0.42477060245910336
Energy: 0.4516154475122319
Energy: 0.45958280095686804
Energy: 0.4087403615823182
Energy: 0.406274198234726
Energy: 0.41773720158611066
Energy: 0.4064732797533109
Energy: 0.4072145666505742
Energy: 0.4217420211325271
Energy: 0.40560904961846195
Energy: 0.4094909390158946
Energy: 0.3986771795212509
Energy: 0.4298374222559422
Energy: 0.40557147391861037
Energy: 0.40435771336763304
Energy: 0.4073638496506406
Energy: 0.40615939190653283
Energy: 0.4181893659306867
Energy: 0.40811618126496635
Energy: 0.40667135682457256
Energy: 0.4100080095143334
Energy: 0.39272045808423117
Energy: 0.39327833025095166
Energy: 0.3922646436453383
Energy: 0.3962370601339374
Energy: 0.39317476328048817
Energy: 0.4092461444181899
Energy: 0.3925083196372034
Energy: 0.39379844322748647
Energy: 0.39315700488193495
Energy: 0.39374683216313666
Energy: 0.391116313793153
Energy: 0.4091998494801266
Energy: 0.3907228267065087
Energy: 0.39222549994171957
Energy: 0.3894505671871597
Energy: 0.39297148470025006
Energy: 0.3925023293254712
Energy: 0.43252266991591143
Energy: 0.4305587809566861
Energy: 0.42886312737610816
Energy: 0.43272254179475544
Energy: 0.4152629171708819
Energy: 0.4412792598020765
Energy: 0.4246863186253588
Energy: 0.39236287794961583
Energy: 0.39266047189496667
Energy: 0.42249281164805724
Energy: 0.3932797167447021
Energy: 0.40439905921113184
Energy: 0.3949820003232996
Energy: 0.407432494983331
Energy: 0.44991668727762013
Energy: 0.4453845960894423
Energy: 0.4251305029267508
Energy: 0.41740333633625964

minimum gb energy = 0.36466090047252336 eV
minimum distance =  3.24892087299245 Angstroms
sigma value = 57


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

Energy: 0.5174933730103705
Energy: 0.431804661558739
Energy: 0.48645533023392074
Energy: 0.41980881595152464
Energy: 0.43284071956395115
Energy: 0.48631279966401064
Energy: 0.4281504538584984
Energy: 0.3735828983681503
Energy: 0.37347627467013883
Energy: 0.42368040769963117
Energy: 0.3746218820827454
Energy: 0.3734475028486888
Energy: 0.425883793383069
Energy: 0.37655891069260006
Energy: 0.37636345114255126
Energy: 0.39290671694129237
Energy: 0.37560120180869355
Energy: 0.37555673937538864
Energy: 0.4241098678411661
Energy: 0.3740221200061154
Energy: 0.3731898647886408
Energy: 0.42419117948830104
Energy: 0.37367290897058625
Energy: 0.37346471452045066
Energy: 0.3851677779630999
Energy: 0.374542166818534
Energy: 0.3736019477971114
Energy: 0.3724006728915255
Energy: 0.37466220550203516
Energy: 0.3746201905557295
Energy: 0.37671669614564873
Energy: 0.3734258950203537
Energy: 0.37369060207208815
Energy: 0.3731562021246465
Energy: 0.3746660196507236
Energy: 0.37368077526620996
Energy: 0.43784308235743125
Energy: 0.3743440087883279
Energy: 0.37376192272982656
Energy: 0.3733582233551098
Energy: 0.4248443534971843
Energy: 0.38374931685910846
Energy: 0.3917384096920688
Energy: 0.4202569314938686
Energy: 0.42168290217835463
Energy: 0.3770995446399433
Energy: 0.4005192902600502
Energy: 0.38652058400241496
Energy: 0.4375361021772568
Energy: 0.4124921029420642
Energy: 0.37346899281974694
Energy: 0.3762843352963698
Energy: 0.4125529232487789
Energy: 0.3733956443591231
Energy: 0.44012192806658035
Energy: 0.3983193766072402
Energy: 0.39867961081601955
Energy: 0.4049604881560423
Energy: 0.3985425794781685
Energy: 0.399233126128292
Energy: 0.4241748374676005
Energy: 0.38481444622466876
Energy: 0.37296355046332247
Energy: 0.40967954526909023
Energy: 0.39324995013204633
Energy: 0.40855234508060656
Energy: 0.37618054629378134
Energy: 0.4195840616793924
Energy: 0.4188933466751337
Energy: 0.3768162365374453
Energy: 0.4223418314589902
Energy: 0.4296644601804902
Energy: 0.3756839223945773
Energy: 0.3932996461023611
Energy: 0.3919265201374609
Energy: 0.3953324078946586
Energy: 0.4099437343651626
Energy: 0.45466670113018715
Energy: 0.4240505368706351
Energy: 0.3756714829835914
Energy: 0.3737852794970727
Energy: 0.4117477519727919
Energy: 0.37582423567916673
Energy: 0.3732097223262374
Energy: 0.4246061515295932
Energy: 0.3754396889624327
Energy: 0.38629990059043207
Energy: 0.40197113317676847
Energy: 0.37699435782862767
Energy: 0.3859015283482535
Energy: 0.42479100594376307
Energy: 0.37364207174811714
Energy: 0.3741101738702348
Energy: 0.4248511410077323
Energy: 0.37377236792485574
Energy: 0.3756185096604034
Energy: 0.3850882054580148
Energy: 0.37395340420406376
Energy: 0.3742693888467353
Energy: 0.3740316544490446
Energy: 0.3734092204934402
Energy: 0.3741033249173315
Energy: 0.3848425519887302
Energy: 0.37342220528168363
Energy: 0.37435241136375386
Energy: 0.3728667700919814
Energy: 0.3728330712980826
Energy: 0.37434635299866037
Energy: 0.4378706696086634
Energy: 0.39294773918858483
Energy: 0.3914128697821087
Energy: 0.3737458056310674
Energy: 0.42448718712863676
Energy: 0.37501972078211854
Energy: 0.4378764851275311
Energy: 0.374562052110826
Energy: 0.42305921089778725
Energy: 0.37358453427652527
Energy: 0.3927921801395412
Energy: 0.4090315478187547
Energy: 0.43697278661007904
Energy: 0.37560991032530044
Energy: 0.3756099463645587
Energy: 0.3761969018291359
Energy: 0.4099741396726503
Energy: 0.3734167687963162
Energy: 0.4738953816420848
Energy: 0.4106941483640964
Energy: 0.389495855470376
Energy: 0.40978586021167585
Energy: 0.3985177387800028
Energy: 0.38878521538997785
Energy: 0.4240349252825971
Energy: 0.40972314873965754
Energy: 0.37540929114639565
Energy: 0.40329058870265466
Energy: 0.4090839097048728
Energy: 0.3737828533548364
Energy: 0.37566088857237423
Energy: 0.39298925759566317
Energy: 0.4626147213812061
Energy: 0.4030603352988777
Energy: 0.4099331093564796
Energy: 0.454380666964678

minimum gb energy = 0.3724006728915255 eV
minimum distance =  3.19342632215181 Angstroms
sigma value = 17


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

Energy: 0.37810001204423693
Energy: 0.43437248429698616
Energy: 0.4547339939271631
Energy: 0.3840852229973887
Energy: 0.46740082972317437
Energy: 0.36607868068933674
Energy: 0.46531637651579655
Energy: 0.41422995817295394
Energy: 0.3668896661613274
Energy: 0.4368627935434829
Energy: 0.4290095639727407
Energy: 0.36575200026269217
Energy: 0.3857603372244388
Energy: 0.35490593979298374
Energy: 0.35465376379394453
Energy: 0.4060374546886763
Energy: 0.3548755428692181
Energy: 0.35439918044709917
Energy: 0.43778496786975823
Energy: 0.3546737677052875
Energy: 0.35446585069841063
Energy: 0.437790136865612
Energy: 0.35385291558059045
Energy: 0.367109939659845
Energy: 0.4470903078911456
Energy: 0.3415905652788682
Energy: 0.3416888106000434
Energy: 0.4445679589498415
Energy: 0.3414311991868225
Energy: 0.3417824723874566
Energy: 0.3826562415290525
Energy: 0.34635881691760023
Energy: 0.34633836869568213
Energy: 0.3347775203795999
Energy: 0.340705336023912
Energy: 0.33395498097901033
Energy: 0.3541330383322423
Energy: 0.40361348114058776
Energy: 0.3342261587815476
Energy: 0.335206453092957
Energy: 0.40417015720604416
Energy: 0.3340866084393642
Energy: 0.36975247977272413
Energy: 0.3344334786167722
Energy: 0.334523249162816
Energy: 0.3344292529131423
Energy: 0.33514188554274776
Energy: 0.3349985220336039
Energy: 0.40765955482172284
Energy: 0.3338296425326574
Energy: 0.3335790610762138
Energy: 0.40423898211329
Energy: 0.33399396091153527
Energy: 0.3336280919516775
Energy: 0.4028639137674305
Energy: 0.3463432891066867
Energy: 0.3462323790767559
Energy: 0.3608166886613927
Energy: 0.34651606939628277
Energy: 0.3464945404891064
Energy: 0.35586322516646496
Energy: 0.34209132690577265
Energy: 0.3418227229081154
Energy: 0.3410231711115569
Energy: 0.3420280989005249
Energy: 0.3414909237500986
Energy: 0.44576572887172883
Energy: 0.43870514153632584
Energy: 0.4142568503371731
Energy: 0.3468946742435776
Energy: 0.4376395072012155
Energy: 0.367333102873359
Energy: 0.41903765244176255
Energy: 0.40585155244776394
Energy: 0.3909948269085419
Energy: 0.3469459798790422
Energy: 0.405920109156828
Energy: 0.3914442007484061
Energy: 0.4593404457780537
Energy: 0.42652272644779965
Energy: 0.3555634187394453
Energy: 0.4363151910368594
Energy: 0.39907774935822543
Energy: 0.35644180889395355
Energy: 0.40902974325072083
Energy: 0.4117412163349918
Energy: 0.40637823293927144
Energy: 0.4151869999642581
Energy: 0.4119854194104995
Energy: 0.40654181923659344
Energy: 0.41625400428940706
Energy: 0.4365498091218948
Energy: 0.36732492353368584
Energy: 0.42769449024477846
Energy: 0.4366215519211813
Energy: 0.4148336239476432
Energy: 0.4544997339038474
Energy: 0.40612355474293615
Energy: 0.46272906484851983
Energy: 0.3558070686684225
Energy: 0.4264652992471675
Energy: 0.44850785600636994

minimum gb energy = 0.3335790610762138 eV
minimum distance =  3.18809494846079 Angstroms
sigma value = 17


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

Energy: 0.37257655979165305
Energy: 0.4910766969519026
Energy: 0.3605884742178394
Energy: 0.33062373155238095
Energy: 0.4981749836305399
Energy: 0.36039890763739485
Energy: 0.4795103704524814
Energy: 0.35707256419640476
Energy: 0.315360995986714
Energy: 0.35785534481468134
Energy: 0.3575776054114179
Energy: 0.3329345569243394
Energy: 0.5137566826712596
Energy: 0.30982782520787544
Energy: 0.3258487114173917
Energy: 0.3557892648042053
Energy: 0.3100196384735484
Energy: 0.32532075734942767
Energy: 0.4347675510382299
Energy: 0.3266500678700737
Energy: 0.3261344736598183
Energy: 0.43517572060731285
Energy: 0.3067320180828761
Energy: 0.3265001535713943
Energy: 0.38925111874720486
Energy: 0.31493818211637786
Energy: 0.3153258593354997
Energy: 0.363090043947021
Energy: 0.31478879558857165
Energy: 0.3156277922786462
Energy: 0.3689309424951405
Energy: 0.3151157109964652
Energy: 0.30635324243630546
Energy: 0.30817611091174496
Energy: 0.31509007413857354
Energy: 0.3066896294823077
Energy: 0.36887327673523973
Energy: 0.38547201912578355
Energy: 0.3453238679381143
Energy: 0.3064320767626089
Energy: 0.3858137569220575
Energy: 0.3060347689657314
Energy: 0.3318080758894153
Energy: 0.30087786127268584
Energy: 0.303186475316462
Energy: 0.30386008355928473
Energy: 0.3013420300827179
Energy: 0.3039687656901624
Energy: 0.36736201257702794
Energy: 0.3039174405815068
Energy: 0.30367612604948546
Energy: 0.367830646415541
Energy: 0.30747928072648223
Energy: 0.30333365557810327
Energy: 0.3698603962027602
Energy: 0.3012959812476392
Energy: 0.3010467624489891
Energy: 0.367254640052154
Energy: 0.30147569462935814
Energy: 0.3009306281004811
Energy: 0.3522970628340555
Energy: 0.30147675859785655
Energy: 0.3012293543454595
Energy: 0.30175600113333406
Energy: 0.36733130930944274
Energy: 0.3011398388325653
Energy: 0.36752748949292785
Energy: 0.3668200712906348
Energy: 0.3032938132771784
Energy: 0.3387651810528287
Energy: 0.3669756057927058
Energy: 0.3033857786652658
Energy: 0.37277959583044246
Energy: 0.3030089961145512
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Energy: 0.3131672273805426
Energy: 0.30296713375496476
Energy: 0.38434435279990053
Energy: 0.3061743474463995
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Energy: 0.3849210204348024
Energy: 0.30865645766326755
Energy: 0.3515468642695357
Energy: 0.3840898634676925
Energy: 0.3097049679334627
Energy: 0.3096466195628801
Energy: 0.3156752066434913
Energy: 0.3054666688051671
Energy: 0.3154705608259246
Energy: 0.3805728952452472
Energy: 0.31542765733780803
Energy: 0.315874703718547
Energy: 0.3148498718353356
Energy: 0.40375877305261837
Energy: 0.3156891189143353
Energy: 0.3669496312386902
Energy: 0.3556596973416829
Energy: 0.36402557183401896
Energy: 0.3167787340377514
Energy: 0.40418293505698605
Energy: 0.3183966788229311
Energy: 0.39093065381577624
Energy: 0.35582785534684136
Energy: 0.34923103066458816
Energy: 0.33634544605838507
Energy: 0.3564203799509835
Energy: 0.31820688970001654
Energy: 0.48159763418679696
Energy: 0.35842359216931585
Energy: 0.3304460513266319
Energy: 0.3575055734263407
Energy: 0.3188028671988532
Energy: 0.31549149108867697
Energy: 0.5156918049711687
Energy: 0.3317455173270003
Energy: 0.3316181094595959
Energy: 0.35841797221902416
Energy: 0.3319181857487945
Energy: 0.3672195039707581
Energy: 0.4802757715978925
Energy: 0.3506747804802284
Energy: 0.33045235759932506
Energy: 0.3617950883050686
Energy: 0.35767798660625166
Energy: 0.33137612097314206
Energy: 0.37109851081262546
Energy: 0.36731645552060904
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Energy: 0.33036905411162726
Energy: 0.3665653501794773
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Energy: 0.37272381576537994
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Energy: 0.35944627099592336
Energy: 0.30923267580468183
Energy: 0.3573791230252542
Energy: 0.34170748242529536
Energy: 0.5210096228444185
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Energy: 0.33006297199477147
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Energy: 0.3066384485823955
Energy: 0.34929316551526407
Energy: 0.4335112723010492
Energy: 0.3099909712790437
Energy: 0.32702146428967044
Energy: 0.40224478655088547
Energy: 0.3103558266604942
Energy: 0.32678422554630443
Energy: 0.43483202282556593
Energy: 0.31861823442533865
Energy: 0.3187209972413565
Energy: 0.35502835447723075
Energy: 0.31830957493972867
Energy: 0.3154066781294222
Energy: 0.3621653032797924
Energy: 0.314893018143626
Energy: 0.31519153385690396
Energy: 0.3080348158376327
Energy: 0.31472391665551036
Energy: 0.31738159983683134
Energy: 0.3621861423798567
Energy: 0.38519813531963626
Energy: 0.3518873211418554
Energy: 0.33634492818886186
Energy: 0.3857517687312989
Energy: 0.3151772630804625
Energy: 0.3319437314439389
Energy: 0.30384227868949004
Energy: 0.3036610798629444
Energy: 0.30349300646693034
Energy: 0.3168667463635043
Energy: 0.3034351371209765
Energy: 0.36681902573075537
Energy: 0.3008876355536575
Energy: 0.3032223526305346
Energy: 0.36685635562105984
Energy: 0.30140316297281455
Energy: 0.3028548120489622
Energy: 0.36779188046525285
Energy: 0.3025937879721007
Energy: 0.3025413212063445
Energy: 0.3675323058642114
Energy: 0.3024864585692591
Energy: 0.3025657302585386
Energy: 0.3336292533163052
Energy: 0.3030470225287337
Energy: 0.3032008334563346
Energy: 0.30403942020943614
Energy: 0.3018059196414303
Energy: 0.3032912803148813
Energy: 0.370620194227247
Energy: 0.3669348428896683
Energy: 0.3670779007488085
Energy: 0.3448510237046324
Energy: 0.3673550501056052
Energy: 0.3666443982412706
Energy: 0.35119959874980083
Energy: 0.3090301329667744
Energy: 0.30608083075104625
Energy: 0.3047398668147194
Energy: 0.30751859720063784
Energy: 0.30423902839243355
Energy: 0.38565594613184084
Energy: 0.3047468460644188
Energy: 0.3046134021215135
Energy: 0.385500785798638
Energy: 0.30438598107881587
Energy: 0.30455626237263245
Energy: 0.3845886758359435
Energy: 0.30553287673371826
Energy: 0.31562489458576204
Energy: 0.38468987149096445
Energy: 0.3060466010694453
Energy: 0.3156615621541035
Energy: 0.349637654941584
Energy: 0.31569030355734184
Energy: 0.3154851678233182
Energy: 0.315044621414995
Energy: 0.3171537530107469
Energy: 0.3152839698050372
Energy: 0.3663850898738971
Energy: 0.3948175785597381
Energy: 0.31486493112048036
Energy: 0.315082106429592
Energy: 0.43439714619183384
Energy: 0.3319582491661998
Energy: 0.3667479966709382
Energy: 0.36990125499121074
Energy: 0.3287331373334957
Energy: 0.31940739741121293
Energy: 0.35615439451849046
Energy: 0.32859549850776604
Energy: 0.3841457693085257
Energy: 0.3507642377562009
Energy: 0.35132990926503105
Energy: 0.3176973575296792
Energy: 0.35828444606746335
Energy: 0.33283985706368274
Energy: 0.48338053500801037
Energy: 0.32184451502879835
Energy: 0.37556458900209
Energy: 0.4035534632884024
Energy: 0.3218003595512541
Energy: 0.35812657664320835
Energy: 0.5212172123592363
Energy: 0.34341066848036794
Energy: 0.3181468221745859
Energy: 0.35614426004701794
Energy: 0.33846072709000735
Energy: 0.3493305210848392
Energy: 0.37060377895379715
Energy: 0.35579531275479437
Energy: 0.34983518619233817
Energy: 0.3096341132501408
Energy: 0.35604734022213047
Energy: 0.3417034049265027

minimum gb energy = 0.30087786127268584 eV
minimum distance =  3.26764311181383 Angstroms
sigma value = 57


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

Energy: 0.33444885742420427
Energy: 0.43180695982099543
Energy: 0.33054907321109916
Energy: 0.28710041775215095
Energy: 0.43176971195686725
Energy: 0.33098479541404896
Energy: 0.44659582118179525
Energy: 0.2957349538096598
Energy: 0.2923915981140098
Energy: 0.32957139216011516
Energy: 0.3350388952713423
Energy: 0.3074926748170734
Energy: 0.47702961294139284
Energy: 0.285405193564974
Energy: 0.2852624441497415
Energy: 0.3248257946464443
Energy: 0.2854299648284832
Energy: 0.3007398057423743
Energy: 0.41037637536751004
Energy: 0.28517887620835514
Energy: 0.3009142484474101
Energy: 0.4108854146931672
Energy: 0.2822656426448591
Energy: 0.3004430497346696
Energy: 0.3607741064688983
Energy: 0.2962250450327334
Energy: 0.29194673424717804
Energy: 0.3610950702218224
Energy: 0.2955978130418076
Energy: 0.29183641368167373
Energy: 0.3281600630429965
Energy: 0.29156081644811754
Energy: 0.28362620524154897
Energy: 0.2777160138205059
Energy: 0.29150327657834024
Energy: 0.28421570988222433
Energy: 0.34075694050306266
Energy: 0.32983079986889663
Energy: 0.32762439194614873
Energy: 0.2807849719980583
Energy: 0.3657678574665446
Energy: 0.2808046330137523
Energy: 0.3411364634658525
Energy: 0.275599665679499
Energy: 0.27565846540706884
Energy: 0.28719385467594194
Energy: 0.2754205813363583
Energy: 0.27991782181658387
Energy: 0.3423448426419747
Energy: 0.28055234621611735
Energy: 0.27906449162047625
Energy: 0.3430891971676501
Energy: 0.280436560989286
Energy: 0.31282884134844186
Energy: 0.3412477495310164
Energy: 0.27516148033683324
Energy: 0.27532642031041876
Energy: 0.3410359761380086
Energy: 0.27498645302766744
Energy: 0.2751259541900839
Energy: 0.3329187069961087
Energy: 0.2733946000972161
Energy: 0.27294561132894624
Energy: 0.27338650308781687
Energy: 0.3306062126527048
Energy: 0.273355177246521
Energy: 0.34275681562778737
Energy: 0.33049712294000455
Energy: 0.3311500354780286
Energy: 0.274733352802449
Energy: 0.3324732908723618
Energy: 0.27674929763849004
Energy: 0.34867368658870207
Energy: 0.3224840960948055
Energy: 0.27581999660887785
Energy: 0.2746002691694691
Energy: 0.32180021556899824
Energy: 0.2736242506019624
Energy: 0.330962162007649
Energy: 0.27580556477679175
Energy: 0.2755294168046785
Energy: 0.3317114837713956
Energy: 0.3054723959169858
Energy: 0.3304025214730218
Energy: 0.3305546259129182
Energy: 0.273917482643471
Energy: 0.27366824359581593
Energy: 0.3329786949659049
Energy: 0.27399513000978537
Energy: 0.27323505431907974
Energy: 0.34754747775384076
Energy: 0.31231303134668287
Energy: 0.2775595076045113
Energy: 0.27414910208454507
Energy: 0.3412438693698792
Energy: 0.27760054169831155
Energy: 0.3313135751984311
Energy: 0.3411664701543232
Energy: 0.2784675127906468
Energy: 0.2747353692130143
Energy: 0.34403403736758636
Energy: 0.27910033820953356
Energy: 0.33156857658866223
Energy: 0.2784399644525814
Energy: 0.2786509358325702
Energy: 0.34718977759297115
Energy: 0.2787799266354082
Energy: 0.27888069701658924
Energy: 0.3639468228233718
Energy: 0.2814008268417796
Energy: 0.2811664321005911
Energy: 0.36463318039212167
Energy: 0.28524128583870445
Energy: 0.29287217983606034
Energy: 0.3642464322420693
Energy: 0.2867074147637782
Energy: 0.28648420320322815
Energy: 0.29423394438299283
Energy: 0.2883280157371115
Energy: 0.2943115221934395
Energy: 0.4139793571168902
Energy: 0.33347783856604896
Energy: 0.29165903232690854
Energy: 0.2973011943440585
Energy: 0.333349568030076
Energy: 0.2952476431190463
Energy: 0.3309102807095442
Energy: 0.32469982712881196
Energy: 0.29340984583881224
Energy: 0.2820164092744521
Energy: 0.37681967851905623
Energy: 0.29374055462769727
Energy: 0.351463951586436
Energy: 0.3200700803061348
Energy: 0.32072769241860016
Energy: 0.34149317206497665
Energy: 0.33274523325546246
Energy: 0.3200123355678776
Energy: 0.4495517182532285
Energy: 0.2941143702271771
Energy: 0.29148030007254605
Energy: 0.2912386327280264
Energy: 0.3024517506026356
Energy: 0.2917711261705985
Energy: 0.4787054079494269
Energy: 0.2963921596220747
Energy: 0.2957686237367061
Energy: 0.334180920964165
Energy: 0.2964380321149596
Energy: 0.3319945591930923
Energy: 0.4844254916411432
Energy: 0.3215668468107331
Energy: 0.3223407918224883
Energy: 0.32937708000468213
Energy: 0.3286800792356599
Energy: 0.3079683075379489
Energy: 0.33339815923218497
Energy: 0.33676159953284024
Energy: 0.30379103925349044
Energy: 0.28785605926832986
Energy: 0.3362321777892162
Energy: 0.30376187137292604

minimum gb energy = 0.27294561132894624 eV
minimum distance =  3.28292696176904 Angstroms
sigma value = 43


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

Energy: 0.2812339048995191
Energy: 0.3371806688905749
Energy: 0.29134170286098665
Energy: 0.24719328987563519
Energy: 0.3457021394565394
Energy: 0.27782542661766535
Energy: 0.38637069854855155
Energy: 0.23652429081234594
Energy: 0.23669080222256333
Energy: 0.2631989047641444
Energy: 0.23655072820031195
Energy: 0.23697032972883023
Energy: 0.4020069286339363
Energy: 0.23768050317416678
Energy: 0.24200190953028303
Energy: 0.259317901159165
Energy: 0.23754520476467753
Energy: 0.2417749811170442
Energy: 0.356145321380646
Energy: 0.242100565155443
Energy: 0.24200790182042747
Energy: 0.2533109782644858
Energy: 0.2619322103819885
Energy: 0.24713915227898908
Energy: 0.31744128818428713
Energy: 0.23666260414856105
Energy: 0.2367763441412474
Energy: 0.24329029738451877
Energy: 0.23660750473686945
Energy: 0.2369953885767495
Energy: 0.27340677541522107
Energy: 0.23835587499402475
Energy: 0.23581081173852714
Energy: 0.2638087232366831
Energy: 0.2748231336503306
Energy: 0.25248112715019494
Energy: 0.35552689620182354
Energy: 0.2761379634978636
Energy: 0.31660361169593815
Energy: 0.22980912681021318
Energy: 0.27855900993026267
Energy: 0.23012777881037924
Energy: 0.37883912123718216
Energy: 0.22811332859313424
Energy: 0.22914689033647342
Energy: 0.25087391488530625
Energy: 0.22814649718339086
Energy: 0.2288360707376253
Energy: 0.29702112938974423
Energy: 0.22913770197666686
Energy: 0.22951917136403277
Energy: 0.29608172129165533
Energy: 0.22433677272113495
Energy: 0.23005510496749426
Energy: 0.29584493688645763
Energy: 0.22514720841324384
Energy: 0.2252699448704937
Energy: 0.29597142739228377
Energy: 0.22563385626136614
Energy: 0.2256089367701086
Energy: 0.2712966617208076
Energy: 0.22562652444777315
Energy: 0.2251039166134139
Energy: 0.22454939688828482
Energy: 0.2831582209810538
Energy: 0.22460929447385064
Energy: 0.2957796431015528
Energy: 0.28299076085086955
Energy: 0.28250462934220477
Energy: 0.22629987867216253
Energy: 0.28321458821316686
Energy: 0.22585633900485788
Energy: 0.2974940899103409
Energy: 0.2544254376952269
Energy: 0.2563374936773485
Energy: 0.2475144490344723
Energy: 0.2544356399956211
Energy: 0.25661367679572405
Energy: 0.27571534746695503
Energy: 0.18471596020607806
Energy: 0.27273103382250474
Energy: 0.27651403132302177
Energy: 0.22265252899275328
Energy: 0.272744471425585
Energy: 0.2754569238356183
Energy: 0.22208704107307772
Energy: 0.22210461308466506
Energy: 0.27628214156071834
Energy: 0.2221610245997742
Energy: 0.22309288550927223
Energy: 0.2734232049601193
Energy: 0.272376230880581
Energy: 0.22195484461167095
Energy: 0.2227221227238933
Energy: 0.2720731453687216
Energy: 0.2219189474527484
Energy: 0.2771467690247033
Energy: 0.2720810480876009
Energy: 0.2680481145940332
Energy: 0.22381155316783047
Energy: 0.2720901216376501
Energy: 0.22290729251933078
Energy: 0.27200786175211394
Energy: 0.25178326333126033
Energy: 0.22294876574175088
Energy: 0.2664567240123331
Energy: 0.25148057611901836
Energy: 0.22286194243657947
Energy: 0.271922119843097
Energy: 0.24840671540539663
Energy: 0.2692190015088747
Energy: 0.2726731239532977
Energy: 0.2762708012845011
Energy: 0.2697062375028968
Energy: 0.2719564680842469
Energy: 0.25265305816643757
Energy: 0.22509555753871974
Energy: 0.2396429906744299
Energy: 0.2526534597510946
Energy: 0.22490256695351116
Energy: 0.28457791398193666
Energy: 0.2756491694524281
Energy: 0.2528072698124219
Energy: 0.22547416879004586
Energy: 0.2755182367009467
Energy: 0.2249041658527436
Energy: 0.27424088377231964
Energy: 0.27577759771104216
Energy: 0.22244868336408885
Energy: 0.2229631933070399
Energy: 0.27556560065643043
Energy: 0.22252924046243458
Energy: 0.2829649195032448
Energy: 0.22239311106893095
Energy: 0.22235653835168387
Energy: 0.2821214420260843
Energy: 0.22266435254179337
Energy: 0.22272757077736832
Energy: 0.2833359672292291
Energy: 0.22872594413246836
Energy: 0.2797410545689307
Energy: 0.284062707634076
Energy: 0.2281567175346641
Energy: 0.2518373151395908
Energy: 0.31702380354492593
Energy: 0.2578423903867842
Energy: 0.2632286295055574
Energy: 0.26342051179026055
Energy: 0.24282111585090496
Energy: 0.26316561534168487
Energy: 0.3167386834601554
Energy: 0.2960068581720705
Energy: 0.2607457430087443
Energy: 0.224828871104568
Energy: 0.29584480131139507
Energy: 0.22457200832499596
Energy: 0.2725139680045247
Energy: 0.22979513436259302
Energy: 0.23028016272132434
Energy: 0.22808562693360318
Energy: 0.2958235203983708
Energy: 0.22878917394175954
Energy: 0.30473144628889076
Energy: 0.22946007813996502
Energy: 0.22991982254522536
Energy: 0.26724503626981666
Energy: 0.22940712901184773
Energy: 0.2296258085161786
Energy: 0.31715047144766745
Energy: 0.23524532122476763
Energy: 0.23686669511490047
Energy: 0.2782340034157464
Energy: 0.2359937395687337
Energy: 0.23671137888656008
Energy: 0.38717912135220217
Energy: 0.23306571672464602
Energy: 0.23519291719670068
Energy: 0.2370718788629667
Energy: 0.232822816465865
Energy: 0.2350330037417615
Energy: 0.385742214466087
Energy: 0.23858252025711593
Energy: 0.2378224993576051
Energy: 0.23891417261199532
Energy: 0.2417580534433473
Energy: 0.23885757652161177
Energy: 0.27679229228676516
Energy: 0.25607958802347885
Energy: 0.24541218428467668
Energy: 0.2538617593651292
Energy: 0.25548457536202535
Energy: 0.24042326431776678
Energy: 0.32475374755730857
Energy: 0.25601466141988216
Energy: 0.25628842893047266
Energy: 0.2851206231226153
Energy: 0.2638696819633236
Energy: 0.25627635651778724
Energy: 0.38657988408055094
Energy: 0.25167491821057153
Energy: 0.25159414763267285
Energy: 0.23731084496539598
Energy: 0.2721207618097756
Energy: 0.2661759872248297
Energy: 0.4020097897546824
Energy: 0.2453794687846911
Energy: 0.2518693936727989
Energy: 0.2736665715885698
Energy: 0.245181737487403
Energy: 0.2514805227677902
Energy: 0.38641832784914953
Energy: 0.26428947378802026
Energy: 0.25633639367987765
Energy: 0.26339600588446843
Energy: 0.26313078229314124
Energy: 0.23734912171679842

minimum gb energy = 0.18471596020607806 eV
minimum distance =  3.30133388285766 Angstroms
sigma value = 81


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

Energy: 0.00423199933164585
Energy: 0.004417233059067922
Energy: 0.004413332206277111
Energy: 0.00523543181198534
Energy: 0.004431318811259827
Energy: 0.0044840992842531445
Energy: 0.02280266503497445
Energy: 0.0045534277469085425
Energy: 0.004553010884943411
Energy: 0.022473324036599913
Energy: 0.006143152059372308
Energy: 0.004520229787376543
Energy: 0.022379501164412206
Energy: 0.004456526950317183
Energy: 0.004458278720562493
Energy: 0.022443569793888264
Energy: 0.004449049850876489
Energy: 0.022886342499486293
Energy: 0.0050731945140144626
Energy: 0.004590515670160736
Energy: 0.004472861081001104
Energy: 0.004614792199807405
Energy: 0.004506729918270626
Energy: 0.023092417119887312
Energy: 0.02287702678337931
Energy: 0.022448939237289176
Energy: 0.022510022187356843
Energy: 0.023359381539512558
Energy: 0.02239203163805261
Energy: 0.02244123129760249
Energy: 0.004819887780773554
Energy: 0.004573433878028055
Energy: 0.004389426891973062
Energy: 0.004340596720060407
Energy: 0.004590900533409489
Energy: 0.004543254621372097
Energy: 0.02244907505145388
Energy: 0.004501923857174311
Energy: 0.004662321105794641
Energy: 0.02259251732187127
Energy: 0.004458991494415166
Energy: 0.004608185277326058
Energy: 0.02244426328688141
Energy: 0.004461081951401611
Energy: 0.004419608570700817
Energy: 0.02245850934418372
Energy: 0.004458983069762329
Energy: 0.023341495105368107
Energy: 0.005011686152769133
Energy: 0.004489032032909295
Energy: 0.022996859722764964
Energy: 0.005232340535278546
Energy: 0.004503928743356002
Energy: 0.02266150276227863
Energy: 0.004347073248943232
Energy: 0.022383774784649892
Energy: 0.02237055376153637
Energy: 0.004340179015798084
Energy: 0.022382835503321267
Energy: 0.022381035693689814

minimum gb energy = 0.00423199933164585 eV
minimum distance =  3.4620916149999 Angstroms
sigma value = 3


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

Energy: 0.28491930365458024
Energy: 0.2823822722916335
Energy: 0.28125685793081173
Energy: 0.2650076227198495
Energy: 0.2824444220011466
Energy: 0.2635346318041275
Energy: 0.2994057936747428
Energy: 0.2856158502997119
Energy: 0.2867243129634127
Energy: 0.2849433609087251
Energy: 0.2882790942964107
Energy: 0.28635020548975393
Energy: 0.2994017852957622
Energy: 0.2717718328094847
Energy: 0.2715725918761533
Energy: 0.28846470681178527
Energy: 0.27236437859552226
Energy: 0.28137335521910656
Energy: 0.28822826532687895
Energy: 0.27184319985003363
Energy: 0.27181884607728846
Energy: 0.28428003376756794
Energy: 0.2709512664341968
Energy: 0.28098188531461105
Energy: 0.27364723389488016
Energy: 0.28609902270364207
Energy: 0.2869159963234013
Energy: 0.2735657319368562
Energy: 0.28724320111658863
Energy: 0.28660565403170873
Energy: 0.2723869040926652
Energy: 0.2871437141146343
Energy: 0.28030201907123675
Energy: 0.2451087265506806
Energy: 0.28714043523107696
Energy: 0.2671834002736097
Energy: 0.28813894596982187
Energy: 0.2802101836725784
Energy: 0.2806140720574339
Energy: 0.28549534857862924
Energy: 0.28198235296710056
Energy: 0.28807171522492797
Energy: 0.2878120206508712
Energy: 0.2738658806530311
Energy: 0.2743754950835676
Energy: 0.285008072517729
Energy: 0.2614130481138641
Energy: 0.27456717560274935
Energy: 0.29137911835390845
Energy: 0.2747020624203185
Energy: 0.28353542979057256
Energy: 0.29063153596933133
Energy: 0.28145130381315864
Energy: 0.2839724701393471
Energy: 0.2873347964772969
Energy: 0.270203782262132
Energy: 0.274815173835068
Energy: 0.2871455155276163
Energy: 0.2709372365784944
Energy: 0.2738714407305478
Energy: 0.27660976082384403
Energy: 0.27895665392129504
Energy: 0.27999719258284883
Energy: 0.24131320218541186
Energy: 0.28205076465980333
Energy: 0.2676726785437713
Energy: 0.25549034449965957
Energy: 0.2832528397624319
Energy: 0.28011773403867474
Energy: 0.25546028917300206
Energy: 0.2850505064172751
Energy: 0.2552131879532833
Energy: 0.2561789631204933
Energy: 0.2628955197965154
Energy: 0.27222550940313645
Energy: 0.2562199363952266
Energy: 0.23713810078658643
Energy: 0.2726911286838043
Energy: 0.27649305554131837
Energy: 0.2823649513219711
Energy: 0.2717065898964062
Energy: 0.26418134748774785
Energy: 0.2576616156708262
Energy: 0.273936318507302
Energy: 0.2761754480629097
Energy: 0.2450311588106292
Energy: 0.24465276079695977
Energy: 0.2761654731077243
Energy: 0.24517765002420144
Energy: 0.24505556473105072
Energy: 0.2760152383148339
Energy: 0.26603921650985396
Energy: 0.2664975038028237
Energy: 0.26681678518568014
Energy: 0.27333042349986597
Energy: 0.2665500280024593
Energy: 0.23937922246681956
Energy: 0.2689083141725109
Energy: 0.2682520071710526
Energy: 0.2394534110813736
Energy: 0.2664988319822888
Energy: 0.2392880396034298
Energy: 0.23999333746634782
Energy: 0.2652232291684336
Energy: 0.26541124321627435
Energy: 0.24004231947551127
Energy: 0.24027474199477733
Energy: 0.265503929351507
Energy: 0.2726511447313066
Energy: 0.27344142761073326
Energy: 0.26486964099052135
Energy: 0.24089111932684965
Energy: 0.24996890025716761
Energy: 0.26508355187839067
Energy: 0.2753409621712514
Energy: 0.2393270262833434
Energy: 0.23914371817348473
Energy: 0.2731962764861469
Energy: 0.23963929461178957
Energy: 0.23942513095743917
Energy: 0.27493711424098205
Energy: 0.26611805282325723
Energy: 0.26880088793156315
Energy: 0.27409622751251966
Energy: 0.27709542895924594
Energy: 0.2680414492382246
Energy: 0.24518943865158532
Energy: 0.26598287494132494
Energy: 0.268496931266323
Energy: 0.2450893635065775
Energy: 0.2668765801844355
Energy: 0.24475370417728473
Energy: 0.24528114388716057
Energy: 0.27288580005897006
Energy: 0.27289337602296904
Energy: 0.24524670876020926
Energy: 0.2728473636709454
Energy: 0.27263404437332966
Energy: 0.27651089478097374
Energy: 0.2563344707672126
Energy: 0.27141223832384886
Energy: 0.2402304964573747
Energy: 0.25532289465226393
Energy: 0.2670214004842917
Energy: 0.28497202317791726
Energy: 0.25542079592091926
Energy: 0.25528161594064847
Energy: 0.2855426562970409
Energy: 0.25570052425431716
Energy: 0.25561826679539046
Energy: 0.28441209583563837
Energy: 0.2729956120705712
Energy: 0.2733273443086853
Energy: 0.2825381854825601
Energy: 0.26194884843826005
Energy: 0.2803235928703319
Energy: 0.2712939282679346
Energy: 0.2730079848722188
Energy: 0.2730461873319873
Energy: 0.2711195662607912
Energy: 0.2834831511991405
Energy: 0.2748586650402823
Energy: 0.2601280301416151
Energy: 0.28906204459875834
Energy: 0.2890280188634223
Energy: 0.2600877209306768
Energy: 0.28972644455546237
Energy: 0.28877906973118883
Energy: 0.2760372291947368
Energy: 0.28532581190116796
Energy: 0.2823748796048054
Energy: 0.24237436870460213
Energy: 0.2851220704717393
Energy: 0.2678863384887761
Energy: 0.2814571393756919
Energy: 0.2852046641640696
Energy: 0.28911823291137273
Energy: 0.281015084568444
Energy: 0.2854038564709584
Energy: 0.2882232977218943
Energy: 0.28569834755457313
Energy: 0.2741583299703222
Energy: 0.2743659437903138
Energy: 0.28578981883070514
Energy: 0.26041594461269313
Energy: 0.27465084622226027
Energy: 0.3000232239800897
Energy: 0.2752810232110425
Energy: 0.2876400058425096
Energy: 0.2874712173501776
Energy: 0.2604459570903143
Energy: 0.28656238236492254
Energy: 0.2677239023102336
Energy: 0.28641375217901244
Energy: 0.2851908220969023
Energy: 0.26792231775624237
Energy: 0.28610547397813624
Energy: 0.27565664304215004

minimum gb energy = 0.23713810078658643 eV
minimum distance =  3.21219117956234 Angstroms
sigma value = 67


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

Energy: 0.3561531510996883
Energy: 0.3490353702640695
Energy: 0.34896283393288535
Energy: 0.32203403475404024
Energy: 0.3491682352747525
Energy: 0.3476268733599585
Energy: 0.36769865819824704
Energy: 0.34742740608639755
Energy: 0.3461211867511641
Energy: 0.3493163091550681
Energy: 0.35028495741879406
Energy: 0.34914959238915766
Energy: 0.3693476493051988
Energy: 0.33920512176533957
Energy: 0.3406126401612821
Energy: 0.3474160820648566
Energy: 0.33942328746177475
Energy: 0.34084297906558714
Energy: 0.39590128530759383
Energy: 0.3408491753901732
Energy: 0.340776343960114
Energy: 0.347562715496529
Energy: 0.34335754017924974
Energy: 0.34101737285749834
Energy: 0.35558878794152476
Energy: 0.3462944547236666
Energy: 0.34527432036539873
Energy: 0.35041385121862545
Energy: 0.35041212092850277
Energy: 0.34753777774575334
Energy: 0.3376276378036175
Energy: 0.3448682102585802
Energy: 0.3438880550527249
Energy: 0.33091697416980476
Energy: 0.34395922752587144
Energy: 0.34381492128526486
Energy: 0.349945620256721
Energy: 0.3530582659531296
Energy: 0.34553602898861774
Energy: 0.3487763287805631
Energy: 0.3521109328537156
Energy: 0.34920720188627885
Energy: 0.3504036385968911
Energy: 0.3400480117849661
Energy: 0.339645782854645
Energy: 0.3459987541385303
Energy: 0.32071620241777005
Energy: 0.34826034263578964
Energy: 0.35011849364481185
Energy: 0.347862775272113
Energy: 0.3482636412874086
Energy: 0.35045415368542304
Energy: 0.3476866659143701
Energy: 0.3525342825242875
Energy: 0.35021644936622415
Energy: 0.33538459951794775
Energy: 0.3370813345626908
Energy: 0.35024585326785096
Energy: 0.334826966037246
Energy: 0.33753872192645284
Energy: 0.3460939792877419
Energy: 0.34383943476244194
Energy: 0.34360911513021203
Energy: 0.32242108863194624
Energy: 0.345463056787278
Energy: 0.3434576575711757
Energy: 0.32137163440901984
Energy: 0.34530816213883403
Energy: 0.344562284385277
Energy: 0.3214380820306828
Energy: 0.3369237446070091
Energy: 0.3221817801112219
Energy: 0.3216394435796937
Energy: 0.321099236709692
Energy: 0.3416190474517152
Energy: 0.321554662151642
Energy: 0.32340896369636773
Energy: 0.33204961299218166
Energy: 0.34412208524820825
Energy: 0.34051020937447396
Energy: 0.34160221028228976
Energy: 0.3224002145511885
Energy: 0.3453915915101913
Energy: 0.34142045396827436
Energy: 0.3449625810473013
Energy: 0.3236454059714301
Energy: 0.32276764524248336
Energy: 0.34531812101896453
Energy: 0.32277623288762736
Energy: 0.32203755323361627
Energy: 0.3451985499135368
Energy: 0.34388297864218037
Energy: 0.344823896461492
Energy: 0.34518376430180575
Energy: 0.34802431417273916
Energy: 0.34426491692997213
Energy: 0.3328983821794307
Energy: 0.3386380599522012
Energy: 0.34040708041462364
Energy: 0.3328512980515914
Energy: 0.3190463645437802
Energy: 0.3367646256349498
Energy: 0.33244748080916464
Energy: 0.3528096087924322
Energy: 0.3531283707117194
Energy: 0.3323852997737069
Energy: 0.3523807984357513
Energy: 0.34975873478355995
Energy: 0.339061103855173
Energy: 0.3476317812866817
Energy: 0.3449948879487044
Energy: 0.3247249305558689
Energy: 0.3470422188747953
Energy: 0.3454919005421496
Energy: 0.3486579051894098
Energy: 0.3497815076903266
Energy: 0.3467862871874738
Energy: 0.34847107246821296
Energy: 0.34935687740631793
Energy: 0.3500585109946899
Energy: 0.35047407532943414
Energy: 0.34769704995533407
Energy: 0.347412735294166
Energy: 0.35121436492372277
Energy: 0.3412130048162818
Energy: 0.3486407187977601
Energy: 0.3697610733180902
Energy: 0.33987853975883736
Energy: 0.34746381739760707
Energy: 0.3481721895480478
Energy: 0.3403349200716455
Energy: 0.34866687897317
Energy: 0.35628458203555063
Energy: 0.3515259840912109
Energy: 0.3486304025709126
Energy: 0.35069333790492113
Energy: 0.3509355811358582
Energy: 0.34848207271454046

minimum gb energy = 0.3190463645437802 eV
minimum distance =  3.22168612092374 Angstroms
sigma value = 33


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

Energy: 0.45267977884564914
Energy: 0.4187434805755411
Energy: 0.4482769670093806
Energy: 0.3966409036403439
Energy: 0.4188347709393465
Energy: 0.4318259022080801
Energy: 0.49546266862878824
Energy: 0.40818197637484505
Energy: 0.4075705635087701
Energy: 0.4112363909791153
Energy: 0.4097097273461542
Energy: 0.40792492418548404
Energy: 0.4918518566449367
Energy: 0.43576909529467256
Energy: 0.43549487640033874
Energy: 0.40795765031965525
Energy: 0.4276321983132748
Energy: 0.43590456048787835
Energy: 0.4562756387373337
Energy: 0.43572071572751386
Energy: 0.4358387388663792
Energy: 0.4465474539137599
Energy: 0.43557442352436776
Energy: 0.4297738363094115
Energy: 0.4591932794774134
Energy: 0.40766747311146995
Energy: 0.4063646974065211
Energy: 0.450847630655528
Energy: 0.4102480995043486
Energy: 0.407569836066371
Energy: 0.4290237670086249
Energy: 0.44601872271323806
Energy: 0.4468369380045208
Energy: 0.40797722097756056
Energy: 0.4464070115112047
Energy: 0.4293583410826102
Energy: 0.4516055309464684
Energy: 0.44973175847937275
Energy: 0.4473956234737728
Energy: 0.44373417756967776
Energy: 0.4492429184634589
Energy: 0.44203193895793524
Energy: 0.4515785649926243
Energy: 0.44261162924024605
Energy: 0.4467383533831987
Energy: 0.443615979763042
Energy: 0.45067901406440825
Energy: 0.4455213991641319
Energy: 0.4559519315562231
Energy: 0.45512416471062217
Energy: 0.4445129321770806
Energy: 0.45672026091438833
Energy: 0.4461992111412917
Energy: 0.46094325975903916
Energy: 0.45573732426128083
Energy: 0.43102646683582085
Energy: 0.43079572239928604
Energy: 0.45579250392051873
Energy: 0.432076511142838
Energy: 0.4347037145046512
Energy: 0.4547599151178705
Energy: 0.45832605808612004
Energy: 0.45613274066743054
Energy: 0.4488272440923024
Energy: 0.44391717728338287
Energy: 0.4551765790235646
Energy: 0.43383569779501546
Energy: 0.45551370675327624
Energy: 0.4462857401265493
Energy: 0.43369734491905326
Energy: 0.4226497690311739
Energy: 0.43478555486229997
Energy: 0.43380248952664696
Energy: 0.4529505165291003
Energy: 0.45315103052455297
Energy: 0.4338739597326631
Energy: 0.44793876845541825
Energy: 0.4346539331526238
Energy: 0.4334984236322843
Energy: 0.4514222293899461
Energy: 0.4523667976755798
Energy: 0.4044403510830583
Energy: 0.45103168487958906
Energy: 0.4261906374628082
Energy: 0.43628674090104097
Energy: 0.45951515996576964
Energy: 0.4593258993858718
Energy: 0.43615767075378004
Energy: 0.46106275798543456
Energy: 0.46288635174797166
Energy: 0.4520638570230119
Energy: 0.4403080420948506
Energy: 0.44039472100625837
Energy: 0.4525993452371934
Energy: 0.43394604142735677
Energy: 0.4441710359000321
Energy: 0.4923965956984304
Energy: 0.44053113357674406
Energy: 0.44103458536412765
Energy: 0.481575065844093
Energy: 0.4227541614439872
Energy: 0.44104780554885564
Energy: 0.4868411468142571
Energy: 0.46627451051809554
Energy: 0.46597113660874057
Energy: 0.44838859317906643
Energy: 0.4679630507865251
Energy: 0.4761065652430355
Energy: 0.3892005546300234
Energy: 0.4622376878236586
Energy: 0.4008622747166662
Energy: 0.38941077525758844
Energy: 0.46225973196163134
Energy: 0.3983183364803996
Energy: 0.4210541241578816
Energy: 0.46197792711973823
Energy: 0.4614548826984481
Energy: 0.4046708910864305
Energy: 0.46240603799781577
Energy: 0.4614198785143037
Energy: 0.49333746425389446
Energy: 0.4358635136139473
Energy: 0.4357511136308876
Energy: 0.48059583551413526
Energy: 0.4395912622612897
Energy: 0.435971564824111
Energy: 0.4607265487498792
Energy: 0.43985653052729007
Energy: 0.42987146972113793
Energy: 0.4527760462658542
Energy: 0.4275045932650978
Energy: 0.4299611906954892
Energy: 0.45508341748748343
Energy: 0.4649693416803884
Energy: 0.464832653197014
Energy: 0.444898015200599
Energy: 0.46792290592097197
Energy: 0.46101186447706305
Energy: 0.4281407099534771
Energy: 0.4531482972227531
Energy: 0.45375781702047097
Energy: 0.40834704284360573
Energy: 0.45289254027381826
Energy: 0.42897042972853233
Energy: 0.45559117922517145
Energy: 0.45553326707350056
Energy: 0.4547217050669764
Energy: 0.4459711358811673
Energy: 0.45627088500956703
Energy: 0.445781745543493
Energy: 0.4548697188341447
Energy: 0.4578052622238089
Energy: 0.44574805829820696
Energy: 0.4468320963993659
Energy: 0.4569176341529841
Energy: 0.4466088037842099
Energy: 0.45470999599629863
Energy: 0.44649830090744674
Energy: 0.4476267620678781
Energy: 0.45486020599011034
Energy: 0.45251709682738966
Energy: 0.44732240835013515
Energy: 0.4551951238098489
Energy: 0.43110430630245555
Energy: 0.43089060451901334
Energy: 0.45517681938627075
Energy: 0.4321468646449008
Energy: 0.4355662209407772
Energy: 0.4543808235665336
Energy: 0.4481390851145635
Energy: 0.460297880178329
Energy: 0.441878901937223
Energy: 0.4453086163845274
Energy: 0.4438906859034494
Energy: 0.4397423130007206
Energy: 0.4424785272178414
Energy: 0.4436370432219584
Energy: 0.440924325442034
Energy: 0.4230488770746978
Energy: 0.4423748519733909
Energy: 0.43050824108758157
Energy: 0.44547282078316475
Energy: 0.44425198576598857
Energy: 0.4315618243956755
Energy: 0.4408923457877463
Energy: 0.4312415559114235
Energy: 0.43334464806730233
Energy: 0.44433886843287645
Energy: 0.44472579337226054
Energy: 0.41913831132779544
Energy: 0.4447660541117783
Energy: 0.4262178163750184
Energy: 0.43473345884999565
Energy: 0.40449398002321896
Energy: 0.403659212518094
Energy: 0.43493736820365436
Energy: 0.40451808263442623
Energy: 0.40769942197467224
Energy: 0.46191077542905595
Energy: 0.4173567236361981
Energy: 0.45059619455289984
Energy: 0.4626430821823377
Energy: 0.4294943652405947
Energy: 0.4144450560740313
Energy: 0.49173323726151386
Energy: 0.4272021873933101
Energy: 0.43100466258215314
Energy: 0.4088768322526316
Energy: 0.4185542022078732
Energy: 0.43498139974141264
Energy: 0.4894469659934977
Energy: 0.40818607252536676
Energy: 0.4090889234610057
Energy: 0.40843916038095907
Energy: 0.4095311889551131
Energy: 0.4086871603456282
Energy: 0.4239722255847141
Energy: 0.4059264066902021
Energy: 0.40127157976284833
Energy: 0.38868243110114603
Energy: 0.40614768515678334
Energy: 0.43324806327222626

minimum gb energy = 0.38868243110114603 eV
minimum distance =  3.17537406902816 Angstroms
sigma value = 41


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

Energy: 0.5057337234085842
Energy: 0.5020836782138756
Energy: 0.5180969575497439
Energy: 0.4896074532911561
Energy: 0.5020494263662626
Energy: 0.5226985121313455
Energy: 0.5414783994089357
Energy: 0.4972699214907512
Energy: 0.4978912320023867
Energy: 0.5018553710585845
Energy: 0.49645891181854884
Energy: 0.4875799551518727
Energy: 0.5441943327389785
Energy: 0.48349634446564005
Energy: 0.4828129111099362
Energy: 0.49617483918939015
Energy: 0.48336487370725717
Energy: 0.4908381884742664
Energy: 0.5060768684868384
Energy: 0.48306214481331444
Energy: 0.48309222541694585
Energy: 0.4962362254090399
Energy: 0.4835322986272541
Energy: 0.486932786064493
Energy: 0.5033971886894231
Energy: 0.49601286046129045
Energy: 0.4968495720840599
Energy: 0.5028131481979566
Energy: 0.4967605770648853
Energy: 0.4874651424192885
Energy: 0.4862832519419479
Energy: 0.4957115736017012
Energy: 0.48683457702763033
Energy: 0.4826475092441199
Energy: 0.493779903821317
Energy: 0.4868332798908838
Energy: 0.4965007986126961
Energy: 0.5004756196805734
Energy: 0.497187716863708
Energy: 0.4873983127453736
Energy: 0.4997558191111566
Energy: 0.48700849068329727
Energy: 0.49724711450624476
Energy: 0.4881877611972162
Energy: 0.4872979155054684
Energy: 0.4875881525742214
Energy: 0.486826275768798
Energy: 0.487058600720136
Energy: 0.48286534385011404
Energy: 0.48792539109229627
Energy: 0.48776700630736813
Energy: 0.4846950300500963
Energy: 0.4947217706953683
Energy: 0.4869703103479394
Energy: 0.492785873378903
Energy: 0.4872604652391383
Energy: 0.48699810127309257
Energy: 0.4854818998117506
Energy: 0.4869250400485156
Energy: 0.4866036434338378
Energy: 0.4944674357828325
Energy: 0.49470267908047205
Energy: 0.5022331469605613
Energy: 0.49555645220252237
Energy: 0.4971509577120112
Energy: 0.4970060621248692
Energy: 0.5438606479324684
Energy: 0.4842609055432707
Energy: 0.4846284178370584
Energy: 0.49799358253106013
Energy: 0.48389807598586865
Energy: 0.48435745767695315
Energy: 0.5451920818822152
Energy: 0.49915484492648077
Energy: 0.4940746069026719
Energy: 0.49680956546033084
Energy: 0.4990812890805533
Energy: 0.4962756945205331
Energy: 0.4857180509991038
Energy: 0.4955782271983083
Energy: 0.4842860304058541
Energy: 0.4806572865468403
Energy: 0.4955875368346497
Energy: 0.48420970878940456

minimum gb energy = 0.4806572865468403 eV
minimum distance =  3.23260677840839 Angstroms
sigma value = 11


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

Energy: 0.5881138372311796
Energy: 0.566756917955233
Energy: 0.6003000181573315
Energy: 0.5842180523915027
Energy: 0.5664396414085221
Energy: 0.5934155386117022
Energy: 0.6494887444981107
Energy: 0.5696572400755037
Energy: 0.5704854233711264
Energy: 0.562296684218819
Energy: 0.5692397299211464
Energy: 0.5606653601367103
Energy: 0.64750889383127
Energy: 0.5521624709044644
Energy: 0.5518105930759925
Energy: 0.5543076044511381
Energy: 0.5525118617356711
Energy: 0.5537687922905239
Energy: 0.5673774290608832
Energy: 0.5520138486347956
Energy: 0.5541319561831717
Energy: 0.5541841256117911
Energy: 0.552040988149554
Energy: 0.5543274102528009
Energy: 0.5708665806069402
Energy: 0.556372507841807
Energy: 0.5567686227993704
Energy: 0.560622336782197
Energy: 0.5558610443131731
Energy: 0.55629926335838
Energy: 0.567513127333616
Energy: 0.5506811424061332
Energy: 0.5501971877262407
Energy: 0.5565698987894698
Energy: 0.5443000352485234
Energy: 0.5503896973536675
Energy: 0.5736327029400823
Energy: 0.5506414469381514
Energy: 0.5504301688101956
Energy: 0.5446117593350399
Energy: 0.5487951103249609
Energy: 0.550229691368624
Energy: 0.5896040045297817
Energy: 0.556171281186187
Energy: 0.5557294120709527
Energy: 0.5564374599425987
Energy: 0.5562206793637775
Energy: 0.5564128062175479
Energy: 0.5606540400861812
Energy: 0.5542258327865422
Energy: 0.553926443783611
Energy: 0.5493593454994091
Energy: 0.5541990825629416
Energy: 0.5547967305905236
Energy: 0.560400588912377
Energy: 0.554174055669055
Energy: 0.5538676395876956
Energy: 0.5467180884815352
Energy: 0.5543899395765511
Energy: 0.55472137121349
Energy: 0.584248863313746
Energy: 0.5652320115950025
Energy: 0.5630394023436526
Energy: 0.5703240893782672
Energy: 0.5642864740900991
Energy: 0.5707550572371013
Energy: 0.5671195691076596
Energy: 0.5520214717782376
Energy: 0.5521162463964041
Energy: 0.567146889417497
Energy: 0.5483143616979179
Energy: 0.5555058248376644
Energy: 0.5740676318950447
Energy: 0.5535716183699557
Energy: 0.553465010259029
Energy: 0.5745360241228665
Energy: 0.5541814120856206
Energy: 0.5537503977365054
Energy: 0.5605762083417037
Energy: 0.5595326589214331
Energy: 0.5593035937046991
Energy: 0.5522390533386318
Energy: 0.5597839779043466
Energy: 0.5542378850308711
Energy: 0.5741778736046608
Energy: 0.5541919188285542
Energy: 0.5538191325343951
Energy: 0.5576483221431232
Energy: 0.5539670617300047
Energy: 0.5543437566506391
Energy: 0.5799543293485641
Energy: 0.5542146030299416
Energy: 0.5539244051953416
Energy: 0.5510493622692986
Energy: 0.5538467775003583
Energy: 0.5545784567586567
Energy: 0.5700812275786606
Energy: 0.5536375030502918
Energy: 0.5538519836055645
Energy: 0.5422442761410787
Energy: 0.5539130809920226
Energy: 0.5541393012781404
Energy: 0.5600466914499651
Energy: 0.5744004726465889
Energy: 0.563612212716528
Energy: 0.5637764999214446
Energy: 0.5539207837395945
Energy: 0.546776905776624
Energy: 0.565472357334324
Energy: 0.5539069718957175
Energy: 0.5537058631775041
Energy: 0.5548991653221582
Energy: 0.5538107243010715
Energy: 0.5538327201027412
Energy: 0.5629675532841386
Energy: 0.5531303306324205
Energy: 0.552672771112072
Energy: 0.5604199350806189
Energy: 0.5533380783866643
Energy: 0.5514169578941205
Energy: 0.6197296543403557
Energy: 0.5524452495129861
Energy: 0.5520312101882068
Energy: 0.5640419637817321
Energy: 0.5527246175075684
Energy: 0.5623871183331216
Energy: 0.5858649081770554
Energy: 0.5624070657535105
Energy: 0.5622108941618956
Energy: 0.5528740761106513
Energy: 0.5628206945408195
Energy: 0.5625700640102086
Energy: 0.5667048275809097
Energy: 0.5627235354621779
Energy: 0.5599012893189995
Energy: 0.5444147672401883
Energy: 0.5598994022020447
Energy: 0.558191459840056
Energy: 0.6115793311606237
Energy: 0.5692764447213634
Energy: 0.553954800946241
Energy: 0.5537420210236591
Energy: 0.5711143631162313
Energy: 0.5537416360781104
Energy: 0.5855363738534713
Energy: 0.5540624709243119
Energy: 0.55289724688869
Energy: 0.580152797293084
Energy: 0.5541162658762432
Energy: 0.5539367090020009
Energy: 0.5707707936414217
Energy: 0.5487470819933734
Energy: 0.5542333644105784
Energy: 0.5539072822459299
Energy: 0.5437004457631789
Energy: 0.554368773471689
Energy: 0.5708482792767141
Energy: 0.5540478612183644
Energy: 0.5553071063887475
Energy: 0.553948877283377
Energy: 0.5541434924443649
Energy: 0.5540294359778202
Energy: 0.5703325496119908
Energy: 0.5540818598402111
Energy: 0.5549259854307665
Energy: 0.5541921059003658
Energy: 0.5568463193658466
Energy: 0.5538825238884629
Energy: 0.5735489175241383
Energy: 0.551213836120444
Energy: 0.550887701630977
Energy: 0.584910567458786
Energy: 0.5529860799273834
Energy: 0.5509266219997182
Energy: 0.6477679800018357
Energy: 0.5683365669268284
Energy: 0.5546389996203124
Energy: 0.5538777860285884
Energy: 0.5556687901991608
Energy: 0.553422894842706
Energy: 0.5742885891820432
Energy: 0.5612982155789817
Energy: 0.5647356751551016
Energy: 0.5353628810299985
Energy: 0.5722309081407646
Energy: 0.5543981599376232

minimum gb energy = 0.5353628810299985 eV
minimum distance =  3.22263747761428 Angstroms
sigma value = 57


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

Energy: 0.7932614347799762
Energy: 0.5983227474112199
Energy: 0.6081908145259238
Energy: 0.6095428300222121
Energy: 0.5988754981090547
Energy: 0.6083398700661273
Energy: 0.6461743474175967
Energy: 0.5880308618110953
Energy: 0.5880952098446445
Energy: 0.599139601805919
Energy: 0.5885557825681491
Energy: 0.5882555251344979
Energy: 0.6114904168818371
Energy: 0.5821924060218503
Energy: 0.5819280576215999
Energy: 0.5873635493553896
Energy: 0.5827038757697898
Energy: 0.5884097948527066
Energy: 0.5990094907345637
Energy: 0.5878952003090097
Energy: 0.5881814165564818
Energy: 0.5976319397064663
Energy: 0.583561283621013
Energy: 0.588128609780863
Energy: 0.5990118604053686
Energy: 0.5888810774180696
Energy: 0.5879422585071339
Energy: 0.5880374834802258
Energy: 0.587702040428827
Energy: 0.5873921724583571
Energy: 0.5994214062119927
Energy: 0.5882210065857202
Energy: 0.5879783206403973
Energy: 0.5890136392185765
Energy: 0.6130097832697635
Energy: 0.5877411198219747
Energy: 0.6122979005095153
Energy: 0.5820909811715748
Energy: 0.5822940223087628
Energy: 0.6115990223295231
Energy: 0.5827119691617386
Energy: 0.5884373036310026
Energy: 0.6457680451986025
Energy: 0.5882427531469281
Energy: 0.5883373136584634
Energy: 0.5886694300841075
Energy: 0.5884901792437212
Energy: 0.588249542782915
Energy: 0.6191139470218981
Energy: 0.5888281724604612
Energy: 0.5826395600774298
Energy: 0.5843097125377452
Energy: 0.5879796158388115
Energy: 0.5826933457059972
Energy: 0.6192643534527021
Energy: 0.5885364190891544
Energy: 0.5831092299235082
Energy: 0.5842855088166554
Energy: 0.5879098111652166
Energy: 0.5830716803400828
Energy: 0.6465129916248386
Energy: 0.5879820147702245
Energy: 0.5878950771269272
Energy: 0.598514567725182
Energy: 0.5885610908022136
Energy: 0.5878964121349459
Energy: 0.5988983673819274
Energy: 0.5820420997851014
Energy: 0.5819021822742336
Energy: 0.5874441356918625
Energy: 0.5826402899228554
Energy: 0.5886157378713857
Energy: 0.5989431246445711
Energy: 0.5889438452816651
Energy: 0.588058093068562
Energy: 0.5992926811047952
Energy: 0.5997551916110616
Energy: 0.5876266981865221
Energy: 0.599433411829025
Energy: 0.5886706401152154
Energy: 0.5880248931472565
Energy: 0.5888241627529002
Energy: 0.6020893316578354
Energy: 0.5878020497674374
Energy: 0.6108237542718851
Energy: 0.5828767938938532
Energy: 0.5875668214255928
Energy: 0.5886109285922335
Energy: 0.5828254775988115
Energy: 0.587376401544403
Energy: 0.6116028915294627
Energy: 0.582385529609138
Energy: 0.5824938532700052
Energy: 0.5884184116936829
Energy: 0.5827073620420095
Energy: 0.5875871260098022
Energy: 0.61873518964464
Energy: 0.5880642038881972
Energy: 0.5883442311556705
Energy: 0.6013033341669808
Energy: 0.5888438278017529
Energy: 0.5882834822672706

minimum gb energy = 0.5819021822742336 eV
minimum distance =  3.22703834989918 Angstroms
sigma value = 9


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

Energy: 0.6631199229505749
Energy: 0.6198236655524096
Energy: 0.6200034877060445
Energy: 0.621163063517212
Energy: 0.6708450504443869
Energy: 0.6118612367207679
Energy: 0.6312512703931822
Energy: 0.6007202544967007
Energy: 0.6013168964641743
Energy: 0.6018369167894726
Energy: 0.6005567935448635
Energy: 0.6000977185355124
Energy: 0.6401836491146563
Energy: 0.5949830152523536
Energy: 0.5945587768119989
Energy: 0.6084537021560188
Energy: 0.59892742603838
Energy: 0.595614005761685
Energy: 0.6037129204318339
Energy: 0.5965416759848816
Energy: 0.5957303982895387
Energy: 0.5979824772934658
Energy: 0.6011227999190721
Energy: 0.5955210163695377
Energy: 0.5979620989952479
Energy: 0.5883308013048572
Energy: 0.5891854768034269
Energy: 0.6020036056621775
Energy: 0.5896852510110364
Energy: 0.589634980050546
Energy: 0.5971791714262289
Energy: 0.5928149515685501
Energy: 0.5917662129608181
Energy: 0.5938825200042844
Energy: 0.5946467167798234
Energy: 0.591549151574088
Energy: 0.6026002636689606
Energy: 0.5856820001302698
Energy: 0.6098321924836793
Energy: 0.585437303419248
Energy: 0.5920294211429192
Energy: 0.5998492753408889
Energy: 0.6484398638011812
Energy: 0.5917774682715177
Energy: 0.5926049139702311
Energy: 0.59269488089154
Energy: 0.5922691397143587
Energy: 0.5925847367734363
Energy: 0.6309890021135075
Energy: 0.5860750428042465
Energy: 0.5923784691543207
Energy: 0.5961225003728284
Energy: 0.5862889243295025
Energy: 0.5949693471751942
Energy: 0.6310846878382667
Energy: 0.5864764388245807
Energy: 0.5920033434962826
Energy: 0.5959102698211927
Energy: 0.585984040967217
Energy: 0.5921286186225048
Energy: 0.6499467466291255
Energy: 0.5880349916168536
Energy: 0.5869637907318579
Energy: 0.593384019139541
Energy: 0.5924769839868979
Energy: 0.5862572433200421
Energy: 0.6343594653504437
Energy: 0.6045662773174619
Energy: 0.6003389947691149
Energy: 0.600712235452302
Energy: 0.602280217266414
Energy: 0.5994802612280818
Energy: 0.6340154636173804
Energy: 0.5989580827861152
Energy: 0.5962436944995045
Energy: 0.5920372367713798
Energy: 0.5985257765379717
Energy: 0.5912676571086071
Energy: 0.6267851758864337
Energy: 0.5962803191173749
Energy: 0.5953892867745554
Energy: 0.5901169190796696
Energy: 0.5975957636372907
Energy: 0.5952817217192595
Energy: 0.6373847731057555
Energy: 0.5911715351877495
Energy: 0.5910156231439684
Energy: 0.6014379955632729
Energy: 0.5917439247646091
Energy: 0.6007730265739352
Energy: 0.6163899376903436
Energy: 0.5955360581709831
Energy: 0.5910599529426638
Energy: 0.5895018671443247
Energy: 0.5946124900548895
Energy: 0.5910181858372846
Energy: 0.6196290544104567
Energy: 0.5962113709670066
Energy: 0.5961131687076803
Energy: 0.5985248766957388
Energy: 0.5969322021403519
Energy: 0.595926207812408
Energy: 0.6195146826275019
Energy: 0.590409492995071
Energy: 0.6103892247271869
Energy: 0.5945219989309317
Energy: 0.6005881379232312
Energy: 0.610573144835922
Energy: 0.6192404540543608
Energy: 0.5965766045685921
Energy: 0.5957867799908846
Energy: 0.5989917332923278
Energy: 0.6149858630833432
Energy: 0.5993094153221759
Energy: 0.6197378008043276
Energy: 0.5958654795098626
Energy: 0.5952840532417459
Energy: 0.5984384746690781
Energy: 0.5969629260130329
Energy: 0.5958741736670389
Energy: 0.6324168464875833
Energy: 0.6009359780920318
Energy: 0.6013268762884751
Energy: 0.5918428638292891
Energy: 0.6010161293476564
Energy: 0.6021183159335323

minimum gb energy = 0.585437303419248 eV
minimum distance =  3.18309327582403 Angstroms
sigma value = 27


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

Energy: 0.8877493933099383
Energy: 0.5845032088004873
Energy: 0.5900691485839316
Energy: 0.5906550560314231
Energy: 0.631618198672366
Energy: 0.5957661328731645
Energy: 0.6643458561907376
Energy: 0.5973586720871
Energy: 0.5963425148319766
Energy: 0.5956722007020329
Energy: 0.6034233640245227
Energy: 0.5959042525334403
Energy: 0.6640077351533666
Energy: 0.5878769853458116
Energy: 0.5959937829943015
Energy: 0.592666847758889
Energy: 0.6092920442761852
Energy: 0.5862667735107556
Energy: 0.679468457708926
Energy: 0.5844604280211444
Energy: 0.5931978699961901
Energy: 0.6295769101980546
Energy: 0.5845745638039073
Energy: 0.5863941674749135
Energy: 0.6129210452394404
Energy: 0.6117434642103213
Energy: 0.5849366289866782
Energy: 0.6114686991380275
Energy: 0.6180983529659871
Energy: 0.61144345271639
Energy: 0.666742638085642
Energy: 0.6283429638571901
Energy: 0.6292945415861376
Energy: 0.6288539664537018
Energy: 0.6321051840654124
Energy: 0.6284018601040773
Energy: 0.6688099133504123
Energy: 0.5974516036473696
Energy: 0.5990479889851935
Energy: 0.5911867506792982
Energy: 0.5974235289085196
Energy: 0.5981208763514511
Energy: 0.6542345750597169
Energy: 0.6060298699695819
Energy: 0.6336247208264015
Energy: 0.6330569968815245
Energy: 0.6129041453634065
Energy: 0.6330447687730372
Energy: 0.6543424239901375
Energy: 0.6295450539354565
Energy: 0.628582115211221
Energy: 0.6278556855920094
Energy: 0.6325717577122174
Energy: 0.6285592063495334
Energy: 0.6544714033695348
Energy: 0.6124719081033461
Energy: 0.6130798390664373
Energy: 0.6278616907116241
Energy: 0.6298135001886329
Energy: 0.6284509435677579
Energy: 0.6544906937956039
Energy: 0.6370457384157333
Energy: 0.6250549636617515
Energy: 0.6335124555924092
Energy: 0.5961093099041948
Energy: 0.6330889368456089
Energy: 0.6630199490000296
Energy: 0.6232489032416529
Energy: 0.6233547617449097
Energy: 0.6120654148148609
Energy: 0.6238463350218609
Energy: 0.6233605740858758
Energy: 0.6974699498942131
Energy: 0.6222400412321465
Energy: 0.6215111014271858
Energy: 0.6196754573054526
Energy: 0.6239140212969858
Energy: 0.6229488086213283
Energy: 0.6989895476089826
Energy: 0.6219082949994197
Energy: 0.621268949015645
Energy: 0.6231698867810571
Energy: 0.6225080987818048
Energy: 0.621901011259267
Energy: 0.6629067862505156
Energy: 0.6207309813887824
Energy: 0.6207638224601326
Energy: 0.6207302174124633
Energy: 0.6197713287527786
Energy: 0.6210383112206349
Energy: 0.6345621454156201
Energy: 0.6268783750965298
Energy: 0.6309125847575474
Energy: 0.6289216675450868
Energy: 0.6192172444419166
Energy: 0.6293871098154485
Energy: 0.6128491982080719
Energy: 0.621448727448147
Energy: 0.6257695041094545
Energy: 0.613268351592113
Energy: 0.62178453503699
Energy: 0.6194852593636963
Energy: 0.6375903337014149
Energy: 0.6286881509405979
Energy: 0.6285790914745617
Energy: 0.6283196946651226
Energy: 0.6278851728916891
Energy: 0.6287283696492061
Energy: 0.6389786674856334
Energy: 0.6053456981254804
Energy: 0.6054841819040878
Energy: 0.6338334013298849
Energy: 0.6059979036310326
Energy: 0.6078316063389267
Energy: 0.6809472718539071
Energy: 0.6071269796077639
Energy: 0.606045737813331
Energy: 0.5852873569033069
Energy: 0.6060720184826082
Energy: 0.6056532571196547
Energy: 0.6484334739687503
Energy: 0.6299480248143899
Energy: 0.6296931900427883
Energy: 0.6287718987024333
Energy: 0.6327147899687702
Energy: 0.6293149867852458
Energy: 0.6126695769872726
Energy: 0.6183950333195636
Energy: 0.6103918370556142
Energy: 0.6113634354797061
Energy: 0.5862192907922867
Energy: 0.6020463374878819
Energy: 0.6639516808340384
Energy: 0.5957514940645671
Energy: 0.6109040313447459
Energy: 0.5890395782348904
Energy: 0.5925498733563405
Energy: 0.5937163880568767
Energy: 0.6648899725368416
Energy: 0.5970684942414043
Energy: 0.5932089245824178
Energy: 0.6040208697967958
Energy: 0.5982126387884106
Energy: 0.6142428390764584
Energy: 0.6394819404458948
Energy: 0.6129122809815891
Energy: 0.5841424587616438
Energy: 0.599745592793568
Energy: 0.5900003326551151
Energy: 0.6069287849960519

minimum gb energy = 0.5841424587616438 eV
minimum distance =  3.08071043256901 Angstroms
sigma value = 19


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

Energy: 0.9703382864569168
Energy: 0.5646788001758335
Energy: 0.5732653894303565
Energy: 0.57015460074046
Energy: 0.56307456326522
Energy: 0.5710474090661809
Energy: 0.6298954474263324
Energy: 0.5756712670721746
Energy: 0.5829094223452712
Energy: 0.578754565244417
Energy: 0.576597810983016
Energy: 0.5828843893479168
Energy: 0.5972383834141435
Energy: 0.5785400123363581
Energy: 0.5759996534712785
Energy: 0.5731893628516773
Energy: 0.5784069692678827
Energy: 0.5758290136197387
Energy: 0.5986245762902663
Energy: 0.5829456165244513
Energy: 0.583550591475949
Energy: 0.5763417289819669
Energy: 0.5825022113060953
Energy: 0.5830306276133628
Energy: 0.6146515757393244
Energy: 0.5724914018997079
Energy: 0.5729001454622996
Energy: 0.5714511418743851
Energy: 0.5773347645419319
Energy: 0.5724144821436039
Energy: 0.598560778746755
Energy: 0.5824994956712444
Energy: 0.5833405515952753
Energy: 0.5667195973915884
Energy: 0.5829292222474689
Energy: 0.5829568794286984
Energy: 0.6017231165952381
Energy: 0.5718765849387608
Energy: 0.5698176320318712
Energy: 0.5635602086615266
Energy: 0.5735891851854146
Energy: 0.5706128401889831
Energy: 0.5963803523935924
Energy: 0.5744796348397171
Energy: 0.5832521272728033
Energy: 0.5767437501668292
Energy: 0.5741343342745484
Energy: 0.5761447741505517
Energy: 0.5968187241129317
Energy: 0.5761149817109251
Energy: 0.5788548440273416
Energy: 0.5802615853458892
Energy: 0.5734952897864308
Energy: 0.5788609510892174
Energy: 0.5954047912503047
Energy: 0.5758321295199791
Energy: 0.5749806878676734
Energy: 0.5814242227864013
Energy: 0.5755390636181136
Energy: 0.5749985715039535
Energy: 0.5956992385265614
Energy: 0.5709457759124703
Energy: 0.5657164032030711
Energy: 0.5764737437647761
Energy: 0.5709798812323182
Energy: 0.5656712396116841
Energy: 0.6063090656208633
Energy: 0.5777098891484661
Energy: 0.5783373587612014
Energy: 0.579117516246097
Energy: 0.5632915844153671
Energy: 0.5782934750145647
Energy: 0.5994102310108002
Energy: 0.5817151726568371
Energy: 0.5663739811267395
Energy: 0.5746763217004488
Energy: 0.5818177513392881
Energy: 0.5668336143304864
Energy: 0.6127679768174248
Energy: 0.5757189694765794
Energy: 0.575243146587276
Energy: 0.5673550390714666
Energy: 0.5754786755143938
Energy: 0.5750684798078536
Energy: 0.6052928169735774
Energy: 0.56928022248785
Energy: 0.5697500291528073
Energy: 0.5666459631835155
Energy: 0.5742561255446267
Energy: 0.5697565243829162
Energy: 0.6033810146347802
Energy: 0.5684689420855865
Energy: 0.5685039576262138
Energy: 0.5687935589505494
Energy: 0.5724449927391646
Energy: 0.5686659132623866
Energy: 0.6008286662143264
Energy: 0.5729260680126745
Energy: 0.581135688286397
Energy: 0.573955068863685
Energy: 0.5747546740365495
Energy: 0.5803853046607654
Energy: 0.60214768940302
Energy: 0.5686840912028228
Energy: 0.5718681880200929
Energy: 0.5698067206208287
Energy: 0.5687957635806282
Energy: 0.5731086239459513
Energy: 0.6035744692691768
Energy: 0.5684147533094683
Energy: 0.5782983026810643
Energy: 0.5697856676742011
Energy: 0.568429647979109
Energy: 0.5692791107220314
Energy: 0.5818275196480589
Energy: 0.5789574566086947
Energy: 0.5782292802284192
Energy: 0.5716972382683237
Energy: 0.5683320521181423
Energy: 0.5736961843491828
Energy: 0.5889990314647088
Energy: 0.5695278533130282
Energy: 0.5665014120725216
Energy: 0.5689280928048035
Energy: 0.5686550039627707
Energy: 0.5752569714686525
Energy: 0.5865814135799223
Energy: 0.5797183159112426
Energy: 0.5787736628087836
Energy: 0.5684927922865151
Energy: 0.579034313934604
Energy: 0.578858958053927
Energy: 0.5867483103275725
Energy: 0.5732962425258958
Energy: 0.5730028076193593
Energy: 0.5754074300889411
Energy: 0.5723812159843316
Energy: 0.5681582305977304
Energy: 0.5987038003465999
Energy: 0.57352512360642
Energy: 0.5679285392077886
Energy: 0.5805756876290151
Energy: 0.5682102987751383
Energy: 0.5679151034718778
Energy: 0.6029399114634704
Energy: 0.5808922421586387
Energy: 0.5794967214943726
Energy: 0.5726845029844078
Energy: 0.5666500131932481
Energy: 0.57911359799361
Energy: 0.6019411433017005
Energy: 0.5665576980927192
Energy: 0.566186609561047
Energy: 0.5775181717509245
Energy: 0.5664119692875419
Energy: 0.5661846504252129
Energy: 0.5989687110779859
Energy: 0.5749766350407317
Energy: 0.5749436773942208
Energy: 0.5752177358013921
Energy: 0.5749749817025137
Energy: 0.5749948154079435
Energy: 0.5989391060349465
Energy: 0.5789871577350959
Energy: 0.5785620386829682
Energy: 0.5770314290424073
Energy: 0.5799694173488691
Energy: 0.5829319940746293
Energy: 0.6014748455951789
Energy: 0.5760688319846934
Energy: 0.5858725365336772
Energy: 0.568849662974928
Energy: 0.576525353402832
Energy: 0.5672244324836222

minimum gb energy = 0.56307456326522 eV
minimum distance =  3.19058110142604 Angstroms
sigma value = 101


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

Energy: 0.8876772672921293
Energy: 0.5488520476777528
Energy: 0.5520122460398268
Energy: 0.5290327828590208
Energy: 0.5485441747163988
Energy: 0.5297649444710314
Energy: 0.5933342170874437
Energy: 0.551090847080105
Energy: 0.5502822548679209
Energy: 0.5500808021231471
Energy: 0.5414491812958653
Energy: 0.5498548067220177
Energy: 0.593822404465096
Energy: 0.5487871395128922
Energy: 0.541612840407241
Energy: 0.5456232296558903
Energy: 0.5498900461013212
Energy: 0.5423045887746714
Energy: 0.5771270518236317
Energy: 0.5509152917346848
Energy: 0.549639184098126
Energy: 0.5503509044353947
Energy: 0.5507300413444421
Energy: 0.5493713860160775
Energy: 0.578205401091922
Energy: 0.5439199191447152
Energy: 0.544741069134068
Energy: 0.5474795698095956
Energy: 0.5458330806830392
Energy: 0.5551613127063963
Energy: 0.5757705060448086
Energy: 0.5511332208452124
Energy: 0.5500152326360679
Energy: 0.5480585835775479
Energy: 0.5512914920350019
Energy: 0.5499765865064343
Energy: 0.5666178202232595
Energy: 0.5473280271440932
Energy: 0.5405658482875921
Energy: 0.5485666641691869
Energy: 0.5474468601161607
Energy: 0.5406758031181258
Energy: 0.5786096018715207
Energy: 0.5512798310337818
Energy: 0.550553680149213
Energy: 0.541448674079617
Energy: 0.5477106343147835
Energy: 0.5503699523427723
Energy: 0.5654214522592469
Energy: 0.5419197128649765
Energy: 0.548192630495639
Energy: 0.548271398677129
Energy: 0.5413663659057286
Energy: 0.5483351322678451
Energy: 0.565327102388978
Energy: 0.5502156636792533
Energy: 0.549192349132342
Energy: 0.548502662638104
Energy: 0.5490201558471893
Energy: 0.5491834932981273
Energy: 0.5767086168633637
Energy: 0.5284715978202412
Energy: 0.5279317174434913
Energy: 0.5415598340300325
Energy: 0.5461637669575522
Energy: 0.5279864847433375
Energy: 0.5847242022132081
Energy: 0.5509638238965595
Energy: 0.549758313164113
Energy: 0.550243486790045
Energy: 0.5491032335212155
Energy: 0.5494712843742382
Energy: 0.5749750724577191
Energy: 0.5418048229558037
Energy: 0.5448181808853066
Energy: 0.546608297105948
Energy: 0.5412707627077248
Energy: 0.5455774365252346
Energy: 0.5749266779735809
Energy: 0.5508687803577443
Energy: 0.5507636406854193
Energy: 0.5462089516551074
Energy: 0.5522100011835025
Energy: 0.5506445013037816
Energy: 0.5845453034012891
Energy: 0.5524227581307881
Energy: 0.5517222552695278
Energy: 0.5457559354489637
Energy: 0.554180242319117
Energy: 0.5537788571369482
Energy: 0.5931121452955603
Energy: 0.5508561171377327
Energy: 0.5498882247027924
Energy: 0.5499753495063113
Energy: 0.5475893880599291
Energy: 0.5496300663118026
Energy: 0.5723427021470625
Energy: 0.5563077965425476
Energy: 0.5483033212335728
Energy: 0.5450589817283665
Energy: 0.5554601182047446
Energy: 0.5279285014212733
Energy: 0.6034387768935862
Energy: 0.5416547221054884
Energy: 0.5415095449416905
Energy: 0.5476232560432224
Energy: 0.5414899304935361
Energy: 0.5478380776473656
Energy: 0.5931593487959035
Energy: 0.5517221666861128
Energy: 0.5508033260541985
Energy: 0.5393250802491698
Energy: 0.5481548973112581
Energy: 0.5508677951789883
Energy: 0.5775327139225394
Energy: 0.551126989983471
Energy: 0.5499398066242716
Energy: 0.5415774140924128
Energy: 0.5510556936245777
Energy: 0.54969009810758
Energy: 0.577864093357772
Energy: 0.5413969686719124
Energy: 0.541963984961847
Energy: 0.5479210543002213
Energy: 0.541644510376653
Energy: 0.547671149919775
Energy: 0.5769542270409973
Energy: 0.550771671081312
Energy: 0.5497039823873081
Energy: 0.5478091994500806
Energy: 0.5503296624346868
Energy: 0.5496261691680704
Energy: 0.5719433542843627
Energy: 0.546715005055472
Energy: 0.5466199293923654
Energy: 0.5501407840907505
Energy: 0.5577548572125783
Energy: 0.5533345238947698
Energy: 0.5796476272069754
Energy: 0.5481061834547359
Energy: 0.5486477060973731
Energy: 0.541380146190878
Energy: 0.5477386869084864
Energy: 0.5415156703462942
Energy: 0.5651799976768039
Energy: 0.5510587595429083
Energy: 0.5502350223338724
Energy: 0.5480489849453264
Energy: 0.5416753518260196
Energy: 0.5502486061374229
Energy: 0.5654713926152417
Energy: 0.5509136846085106
Energy: 0.5498180905692013
Energy: 0.5482813364704779
Energy: 0.5496835794766123
Energy: 0.5496637255276815
Energy: 0.5826869411905092
Energy: 0.5447769734737811
Energy: 0.5502709396231444
Energy: 0.5459948816776057
Energy: 0.5449167963740051
Energy: 0.5488593280998129
Energy: 0.584903067464579
Energy: 0.5508427143486863
Energy: 0.5498191142789658
Energy: 0.5458320127288179
Energy: 0.5452799563986674
Energy: 0.5509359682191064
Energy: 0.5760467340027471
Energy: 0.5457010788632854
Energy: 0.5504896099032881
Energy: 0.5460865904319964
Energy: 0.5457055931675455
Energy: 0.5505745787971752
Energy: 0.5768648737981824
Energy: 0.5460027791546339
Energy: 0.5506769975153734
Energy: 0.5464516734193108
Energy: 0.5454757955098551
Energy: 0.5506978447117087
Energy: 0.5843281221525731
Energy: 0.5522090840197575
Energy: 0.5508747652969438
Energy: 0.5460451689424596
Energy: 0.5485069936775185
Energy: 0.550608411397758
Energy: 0.5932563746161683
Energy: 0.5512312594699725
Energy: 0.5499064390971957
Energy: 0.541978113324632
Energy: 0.5474847903720713
Energy: 0.5494543471151732
Energy: 0.572536308423753
Energy: 0.5414391771909827
Energy: 0.5483727770980856
Energy: 0.553172834609194
Energy: 0.5416255211030954
Energy: 0.5481883775523483

minimum gb energy = 0.5279285014212733 eV
minimum distance =  3.18571109108411 Angstroms
sigma value = 33


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

Energy: 0.004713670432265627
Energy: 0.6240608029359298
Energy: 0.0049589441576935464
Energy: 0.005487813103358738
Energy: 0.6248766507826914
Energy: 0.0049371830164509824
Energy: 0.24812482717248968
Energy: 0.061688096192992536
Energy: 0.0620290045936597
Energy: 0.06288316463772067
Energy: 0.06228673963602977
Energy: 0.06194670791081131
Energy: 0.8209223307607514
Energy: 0.6253163473317506
Energy: 0.6251932739122068
Energy: 0.6253739726984416
Energy: 0.6250584637404994
Energy: 0.6247348465350422
Energy: 0.004961566468721509
Energy: 0.061688096192992536
Energy: 0.06202900459389725
Energy: 0.06288316463772067
Energy: 0.06228673963602977
Energy: 0.06194670791057377

minimum gb energy = 0.004713670432265627 eV
minimum distance =  3.44290887221533 Angstroms
sigma value = 1