Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Pb__MO_370271093517_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=4.935544818639755
cohesive_energy=2.035270138495227
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=[7.448198736139199e-20, 1.097329174449966e-19, 1.3821032537303938e-19, 1.62391817092338e-19, 1.8343800935656199e-19, 2.0198640824837997e-19, 2.18471203635606e-19, 2.3318879819553e-19, 2.4635869012701e-19, 2.58163527566322e-19, 2.6873148464418595e-19, 2.78166702841812e-19, 2.8655890405070396e-19, 2.9398979927919597e-19, 3.00521873416014e-19, 3.0620639611344596e-19, 3.1109463702378e-19, 3.1522665056286595e-19, 3.18647297676456e-19, 3.21383815367328e-19, 3.23468247168162e-19, 3.2492622790510204e-19, 3.25781790227658e-19, 3.26060568961974e-19, 3.2575455322487996e-19, 3.2475639718189796e-19, 3.2293312017240597e-19, 3.2011969800310195e-19, 3.1612226730127197e-19, 3.1071972769142397e-19, 3.0360766561309797e-19, 2.94428795676912e-19, 2.8274091713188196e-19, 2.68000892099082e-19, 2.49521386802526e-19, 2.26437225859854e-19, 1.9766373568984797e-19, 1.6177497908824797e-19, 1.169345411971632e-19, 6.072521812887779e-20, -1.006372004761152e-20, -9.97744283587062e-20, -2.1438084668900398e-19, -3.6223291082779195e-19, -5.552727647519159e-19, -8.11026618660702e-19, -1.155887128246032e-18, -1.63106387871102e-18, -2.30341730316912e-18, -3.2870095605480596e-18, -4.78864961076456e-18, -7.21394449048206e-18, -1.1445869764464298e-17, -1.97110984751118e-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: 0.00421084763245282
Energy: 0.004363817780337323
Energy: 0.004368395634484272
Energy: 0.00432344563993609
Energy: 0.28976435687299934
Energy: 0.004265750152988046
Energy: 0.00436381778066446
Energy: 0.059661881381614434
Energy: 0.05976473251952377
Energy: 0.05985913457695639
Energy: 0.059721908082268405
Energy: 0.05972458074297821
Energy: 0.004368395634484272
Energy: 0.05976473251952377
Energy: 0.06006309739197133
Energy: 0.004383862855986435
Energy: 0.05987415859640625
Energy: 0.05999606335761
Energy: 0.004323445639777194
Energy: 0.05985913457630212
Energy: 0.004383862855986435
Energy: 0.004347438105400393
Energy: 0.05988673268318197
Energy: 0.004277824292251033
Energy: 0.28976435687267216
Energy: 0.059721908082268405
Energy: 0.059874158596247354
Energy: 0.05988673268301373
Energy: 0.05964075480942267
Energy: 0.05990984921660065
Energy: 0.004265750153146942
Energy: 0.05972458074330535
Energy: 0.059996063357441766
Energy: 0.004277824292409927
Energy: 0.059909849216432415
Energy: 0.004290728180597495

minimum gb energy = 0.00421084763245282 eV
minimum distance =  3.4863897911634 Angstroms
sigma value = 1


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

Energy: 0.8106351384934254
Energy: 0.4658201108537157
Energy: 0.4780268268460444
Energy: 0.4498356966440617
Energy: 0.4729254811288588
Energy: 0.4774852007892709
Energy: 0.739903589388964
Energy: 0.4477933035724594
Energy: 0.4454521993637779
Energy: 0.4445480559918031
Energy: 0.4498154929743132
Energy: 0.4450390175867153
Energy: 0.7267018216512475
Energy: 0.4472847792324453
Energy: 0.4478330435763299
Energy: 0.45605436022470547
Energy: 0.447224303702196
Energy: 0.4171870230492052
Energy: 0.7856443372214739
Energy: 0.4477269493202416
Energy: 0.44609717753276346
Energy: 0.4503597691722531
Energy: 0.4599590139472115
Energy: 0.45255641468940905
Energy: 0.7231013371719323
Energy: 0.4535580992842245
Energy: 0.45215968893046066
Energy: 0.44442130617610226
Energy: 0.44766940950655637
Energy: 0.45121704800417534
Energy: 0.7120384145541767
Energy: 0.4448739859914194
Energy: 0.4602415552389913
Energy: 0.45494762472398714
Energy: 0.44769390909645335
Energy: 0.45528152390959253
Energy: 0.7097830518245383
Energy: 0.45578714288402983
Energy: 0.46012896083538635
Energy: 0.4546552864281346
Energy: 0.44798174528315504
Energy: 0.45589675909876315
Energy: 0.6679126439440998
Energy: 0.4516340543342088
Energy: 0.45160638572199024
Energy: 0.41876014185481647
Energy: 0.45457493187578957
Energy: 0.45617626690658375
Energy: 0.5763706254812462
Energy: 0.4549673048530449
Energy: 0.45473921198207995
Energy: 0.44748018014376345
Energy: 0.45483552984726344
Energy: 0.454909674227213
Energy: 0.5750638399326765
Energy: 0.44516613038787706
Energy: 0.44690895965694527
Energy: 0.44823915954377297
Energy: 0.44442091227699176
Energy: 0.45138938942905216
Energy: 0.5415612628143982
Energy: 0.44455652705531595
Energy: 0.436625313039445
Energy: 0.47360675787739515
Energy: 0.4511654008071247
Energy: 0.464366113156043
Energy: 0.4892334641648657
Energy: 0.4509407980902393
Energy: 0.44738405014891225
Energy: 0.4536734897727292
Energy: 0.4517063457613212
Energy: 0.4475441237907987
Energy: 0.4893423971598862
Energy: 0.4445908466637555
Energy: 0.4447906672975643
Energy: 0.4585612961247397
Energy: 0.44516132719992185
Energy: 0.4453141994703932
Energy: 0.5264549024682406
Energy: 0.45171137977514775
Energy: 0.4448877313601566
Energy: 0.4579253290875919
Energy: 0.44943517571362934
Energy: 0.45560220337048113
Energy: 0.5149470276194695
Energy: 0.44420080828628744
Energy: 0.4448510823399623
Energy: 0.4465373930033663
Energy: 0.44442602995021563
Energy: 0.4453130757620665
Energy: 0.5150235726356133
Energy: 0.4556128657525057
Energy: 0.4246615548885155
Energy: 0.4505671022362226
Energy: 0.460642915552006
Energy: 0.45505270269156795
Energy: 0.6687392445718289
Energy: 0.4544710368725707
Energy: 0.4551606549029539
Energy: 0.4548314541251714
Energy: 0.4539301560984331
Energy: 0.45623614781786315
Energy: 0.6462195908525181
Energy: 0.4550657274712535
Energy: 0.46127614828910424
Energy: 0.45562701661426275
Energy: 0.45481761467508014
Energy: 0.45664722796167095
Energy: 0.646395816758408
Energy: 0.4617398573437593
Energy: 0.46617810913595265
Energy: 0.4547391897606687
Energy: 0.4250611717750816
Energy: 0.46720851586078377
Energy: 0.6708596125083851
Energy: 0.4613770511767367
Energy: 0.45591055909636136
Energy: 0.4549398764423189
Energy: 0.4550710808883345
Energy: 0.46708910776795665
Energy: 0.7388126305277211
Energy: 0.44669040804671795
Energy: 0.4458157699162737
Energy: 0.4515630748601947
Energy: 0.45481285408048433
Energy: 0.4521881161504709
Energy: 0.7418169820061109
Energy: 0.44747369055501274
Energy: 0.4552085179455197
Energy: 0.45212544724865283
Energy: 0.4474189288689453
Energy: 0.4240225049576528
Energy: 0.7398171137260713
Energy: 0.4476593888932928
Energy: 0.4450872714255934
Energy: 0.4358134540663161
Energy: 0.44921340059361226
Energy: 0.4448462863918637

minimum gb energy = 0.4171870230492052 eV
minimum distance =  3.26714023471029 Angstroms
sigma value = 33


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

Energy: 0.9540435488624044
Energy: 0.5022546632108882
Energy: 0.5025052365167114
Energy: 0.49866939402911087
Energy: 0.5003956540284308
Energy: 0.5025183266358689
Energy: 0.47508307301660185
Energy: 0.4918614048431317
Energy: 0.4782291297177384
Energy: 0.48020570558638254
Energy: 0.4976794618230166
Energy: 0.4683713355459989
Energy: 0.6897707808189887
Energy: 0.48505290600322326
Energy: 0.4953710156871989
Energy: 0.48658117069112694
Energy: 0.4847427716454652
Energy: 0.4973730752559388
Energy: 0.7485620872440449
Energy: 0.4917993313980114
Energy: 0.4915342588952739
Energy: 0.46597083903130343
Energy: 0.49174984613629075
Energy: 0.47994210001138055
Energy: 0.683610693091492
Energy: 0.4610129269595476
Energy: 0.47030259820194364
Energy: 0.4714017862481667
Energy: 0.4780158209470696
Energy: 0.47702808828431864
Energy: 0.7380867958026642
Energy: 0.4833404587912398
Energy: 0.4772173782217558
Energy: 0.460934245980932
Energy: 0.4734337601026238
Energy: 0.47080578313658394
Energy: 0.7380873324791715
Energy: 0.477032711244976
Energy: 0.4722864471657548
Energy: 0.46125362838793954
Energy: 0.4726248067479464
Energy: 0.47239178502776463
Energy: 0.48010863213654237
Energy: 0.49073641673154156
Energy: 0.47242195446286356
Energy: 0.47823951122582314
Energy: 0.46354644460610905
Energy: 0.4724005673604152
Energy: 0.5908410071989364
Energy: 0.47615028847090657
Energy: 0.45875078261786434
Energy: 0.4790405741321953
Energy: 0.47306132369790693
Energy: 0.46094783596016026
Energy: 0.5898845654192542
Energy: 0.4855237320529655
Energy: 0.485272186607257
Energy: 0.47101287132950237
Energy: 0.47801914444831173
Energy: 0.4850508351441109
Energy: 0.5643869693243414
Energy: 0.4787762022515687
Energy: 0.4786665447234235
Energy: 0.4949699034874358
Energy: 0.47872676004024567
Energy: 0.4786411548920187
Energy: 0.5182192661293072
Energy: 0.4856351162480845
Energy: 0.4795569984466045
Energy: 0.4810331042684874
Energy: 0.48767584262499775
Energy: 0.4785421087063072
Energy: 0.5180972371164454
Energy: 0.477197397922899
Energy: 0.47713963995524417
Energy: 0.48866258741042146
Energy: 0.47548512687395644
Energy: 0.48137842221605176
Energy: 0.5499936208547944
Energy: 0.4821060456888893
Energy: 0.476544181184124
Energy: 0.48534246281907495
Energy: 0.4797556987972673
Energy: 0.47963628428594546
Energy: 0.5757259614998017
Energy: 0.4692779273249785
Energy: 0.4849233299345126
Energy: 0.4870387946079464
Energy: 0.4692043876893956
Energy: 0.4858728892611688
Energy: 0.5754004740767911
Energy: 0.47172745157743656
Energy: 0.47712772425788474
Energy: 0.4894384523389221
Energy: 0.4766041531833742
Energy: 0.4844015187729714
Energy: 0.7026057337173138
Energy: 0.4728425292254399
Energy: 0.4734045860840831
Energy: 0.4825040716037972
Energy: 0.47157409618807616
Energy: 0.4819323934441787
Energy: 0.6610374483024537
Energy: 0.4843911575614857
Energy: 0.487905481894685
Energy: 0.4776191399828823
Energy: 0.4821651140187454
Energy: 0.4904269300119204
Energy: 0.6612339028481347
Energy: 0.49323278913729285
Energy: 0.4953499074236979
Energy: 0.472992927959272
Energy: 0.47890359485583056
Energy: 0.4878724297038022
Energy: 0.7042082060658755
Energy: 0.4689912167705564
Energy: 0.46837668193623755
Energy: 0.468034968971892
Energy: 0.47249027186284004
Energy: 0.47919027979331436
Energy: 0.811299910606422
Energy: 0.4819575397728099
Energy: 0.4785040424887395
Energy: 0.46626338639983733
Energy: 0.4783632161099608
Energy: 0.4785892465093506
Energy: 0.6355087397013685
Energy: 0.4839810293691481
Energy: 0.46835295398647064
Energy: 0.4876791135580691
Energy: 0.4853308230312241
Energy: 0.4684874948425933
Energy: 0.69589008085751
Energy: 0.48097669719190134
Energy: 0.4676433405800034
Energy: 0.4752327150539793
Energy: 0.48930120150658674
Energy: 0.4739006689172945
Energy: 0.74810803752636
Energy: 0.49669511284906076
Energy: 0.47985004735734266
Energy: 0.4774278343488977
Energy: 0.4921388802702787
Energy: 0.4942885256342597
Energy: 0.6955612047207785
Energy: 0.4850520521003323
Energy: 0.4838894274947451
Energy: 0.46970244866657057
Energy: 0.49221305072782584
Energy: 0.48298821674866615
Energy: 0.7352528295590869
Energy: 0.49385823032652987
Energy: 0.48675790196651
Energy: 0.48142552850667447
Energy: 0.4788180292630733
Energy: 0.4893008338922671
Energy: 0.7348813171424979
Energy: 0.4653213784275456
Energy: 0.4654119209102492
Energy: 0.47080178652923
Energy: 0.47364148958780944
Energy: 0.4761538579082178
Energy: 0.4808852142816144
Energy: 0.4790648008137979
Energy: 0.4619063289550744
Energy: 0.47702977416425446
Energy: 0.47673053014347916
Energy: 0.48463826169040847
Energy: 0.589413906783815
Energy: 0.4635629079455909
Energy: 0.49038129084321846
Energy: 0.476989429936851
Energy: 0.4763886692189547
Energy: 0.4845276084746769
Energy: 0.5885947087098261
Energy: 0.4821722591194552
Energy: 0.4843577279815648
Energy: 0.46964829252817764
Energy: 0.47707580826574975
Energy: 0.48414783587189447
Energy: 0.6232243471020529
Energy: 0.4665061093638127
Energy: 0.4650811459808642
Energy: 0.48727457546967146
Energy: 0.46601088713877126
Energy: 0.4787096234500653
Energy: 0.5196325262634371
Energy: 0.4654908571616829
Energy: 0.4647379101163065
Energy: 0.48736499738804634
Energy: 0.4664117659219965
Energy: 0.477904496459171
Energy: 0.5196120985027549
Energy: 0.4714094042600289
Energy: 0.4752219899823717
Energy: 0.4900269983463858
Energy: 0.4715562871756312
Energy: 0.4786618309840263
Energy: 0.5195477392253312
Energy: 0.48205510330976153
Energy: 0.47660883740167725
Energy: 0.48392706703173316
Energy: 0.47973665113417324
Energy: 0.4764778403396466
Energy: 0.5787700858865064
Energy: 0.4710441098658928
Energy: 0.4701411118888212
Energy: 0.4827438875639073
Energy: 0.47116693921949226
Energy: 0.47795139077257076
Energy: 0.5785377945385818
Energy: 0.48935460048888174
Energy: 0.4788306728839923
Energy: 0.4880147817480864
Energy: 0.49723882893085797
Energy: 0.48218941333097703
Energy: 0.5786539907625892
Energy: 0.48164717276708846
Energy: 0.4817679850252018
Energy: 0.49131030690503297
Energy: 0.4856746319378985
Energy: 0.4818302567726392
Energy: 0.6609893547105785
Energy: 0.4834614956377032
Energy: 0.49990631660481993
Energy: 0.473304877462151
Energy: 0.4848393155044483
Energy: 0.4993356639628028
Energy: 0.6608261551746294
Energy: 0.48469354536034515
Energy: 0.4857971444068181
Energy: 0.47812150458319097
Energy: 0.4847496411074433
Energy: 0.47243366586730984
Energy: 0.685623424972342
Energy: 0.48434333802953133
Energy: 0.4925761752476605
Energy: 0.47187271685333815
Energy: 0.4845718147717915
Energy: 0.47835349231635416
Energy: 0.7952750949020823
Energy: 0.47524090716802003
Energy: 0.4716013048331093
Energy: 0.4712674949183119
Energy: 0.4677520320850389
Energy: 0.4702165038184094

minimum gb energy = 0.45875078261786434 eV
minimum distance =  3.26091722282421 Angstroms
sigma value = 51


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

Energy: 0.8354077800140317
Energy: 0.4998439788002025
Energy: 0.4999033514702661
Energy: 0.4758773146108514
Energy: 0.5024682046086538
Energy: 0.47593085572437055
Energy: 0.6824330753696461
Energy: 0.4975221673631735
Energy: 0.4872208011888404
Energy: 0.46681094809019386
Energy: 0.5079099358490512
Energy: 0.4663425672021419
Energy: 0.7413348644067643
Energy: 0.49738140869472536
Energy: 0.49676166072220024
Energy: 0.4662156965689755
Energy: 0.4990718753109908
Energy: 0.48913144566087385
Energy: 0.7415108102912533
Energy: 0.49921781468595505
Energy: 0.49648030375567276
Energy: 0.46440543176931703
Energy: 0.49915860727564243
Energy: 0.47771280100921787
Energy: 0.6356387903511607
Energy: 0.4661395646350628
Energy: 0.46727977194656073
Energy: 0.4668799969014452
Energy: 0.4661529735117256
Energy: 0.46783122831538415
Energy: 0.6355581246620686
Energy: 0.4665576519693103
Energy: 0.46596555147753294
Energy: 0.4663612540704665
Energy: 0.46751750939609976
Energy: 0.4661026811977248
Energy: 0.6355424730518535
Energy: 0.4736888491737675
Energy: 0.4737214981779503
Energy: 0.46606783429376614
Energy: 0.4663812128903064
Energy: 0.47309895506945326
Energy: 0.6065432942468159
Energy: 0.4452074391393913
Energy: 0.4720618886027562
Energy: 0.49631210145293964
Energy: 0.4451280456941587
Energy: 0.48509800163387073
Energy: 0.5140242039714558
Energy: 0.4894045887827901
Energy: 0.4933322064065619
Energy: 0.49908117748115816
Energy: 0.4896140723384372
Energy: 0.49256576907168936
Energy: 0.5139974195244384
Energy: 0.46621380242179
Energy: 0.4748684455910186
Energy: 0.5036008416019822
Energy: 0.4658921391364842
Energy: 0.48748266778717386
Energy: 0.5138075521729843
Energy: 0.47094093862992287
Energy: 0.48427078413948765
Energy: 0.5135076930864889
Energy: 0.46442260720577316
Energy: 0.48286451661049257
Energy: 0.5466858449176752
Energy: 0.46642254943056294
Energy: 0.4661144701601433
Energy: 0.5064875747071317
Energy: 0.4649776399050364
Energy: 0.48731722349384526
Energy: 0.5464821965873286
Energy: 0.4886746937921617
Energy: 0.48863255582994697
Energy: 0.4987662303184985
Energy: 0.5046831097016476
Energy: 0.4925064688718866
Energy: 0.5467178040220686
Energy: 0.4666039981702061
Energy: 0.48444585124299405
Energy: 0.4819279903398135
Energy: 0.4668111565016591
Energy: 0.4845589699661312
Energy: 0.6819055492373325
Energy: 0.4926165994753352
Energy: 0.48575222609609414
Energy: 0.4494003555271137
Energy: 0.4925414646096969
Energy: 0.4858100590891112
Energy: 0.6816963409885166
Energy: 0.49708916540250625
Energy: 0.4923152404455023
Energy: 0.44956323188141606
Energy: 0.4968263997289729
Energy: 0.49765088873356417
Energy: 0.6788599883269384
Energy: 0.497076069731193
Energy: 0.49211296595787923
Energy: 0.46619166503927684
Energy: 0.5058989940325125
Energy: 0.4861072376410309
Energy: 0.8003623973839816
Energy: 0.5011723128573139
Energy: 0.46425366203442925
Energy: 0.4444961176212639
Energy: 0.49842668337185964
Energy: 0.4634841464524199

minimum gb energy = 0.4444961176212639 eV
minimum distance =  3.27024160454999 Angstroms
sigma value = 19


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

Energy: 0.7123718433957877
Energy: 0.5071342489716448
Energy: 0.506142654416712
Energy: 0.5439003723891809
Energy: 0.4804345441458945
Energy: 0.5073220946322758
Energy: 0.6415808538157163
Energy: 0.48832915341526123
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Energy: 0.4884270454363271
Energy: 0.7453679706071158
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Energy: 0.4885185220225153
Energy: 0.5053492985880054
Energy: 0.48842244105672683
Energy: 0.4887485128487963
Energy: 0.5937007972879047
Energy: 0.4884633035340036
Energy: 0.4893448111027739
Energy: 0.5030562966568535
Energy: 0.48829223912243647
Energy: 0.4886669826308318
Energy: 0.5977844398820041
Energy: 0.48832595448663174
Energy: 0.5053151567673179
Energy: 0.5060455079892993
Energy: 0.4882085184810909
Energy: 0.505129848455539
Energy: 0.5974533359583135
Energy: 0.47520471630613664
Energy: 0.5050483293869087
Energy: 0.506797789558228
Energy: 0.4750998485270338
Energy: 0.5053719397017911
Energy: 0.5975019550623741
Energy: 0.5054241612629029
Energy: 0.5052897888033848
Energy: 0.5066827947931685
Energy: 0.4800299985022124
Energy: 0.5053850091874328
Energy: 0.5491871560342283
Energy: 0.4826560293155362
Energy: 0.48358431302112065
Energy: 0.48834641202301315
Energy: 0.48297138398612793
Energy: 0.480247563291819
Energy: 0.48845271912986227
Energy: 0.4833031069567687
Energy: 0.4752481865980688
Energy: 0.4884072434001727
Energy: 0.48242237428604323
Energy: 0.4752796214543791
Energy: 0.4883044728628912
Energy: 0.5059884144010119
Energy: 0.48841055541384637
Energy: 0.4883854038389821
Energy: 0.5056050928214595
Energy: 0.48842693380281665
Energy: 0.48798167533853903
Energy: 0.5037168007041227
Energy: 0.5036899691046683
Energy: 0.48820236584680216
Energy: 0.5032421554085652
Energy: 0.48845671580171207
Energy: 0.5974715857743851
Energy: 0.5056509593226978
Energy: 0.5051959402273815
Energy: 0.4885259236592243
Energy: 0.5054321337711816
Energy: 0.488415016322962
Energy: 0.4752059880122685
Energy: 0.5059652066291396
Energy: 0.5056312575950934
Energy: 0.47505125223933925
Energy: 0.505033940069437
Energy: 0.505169544505955
Energy: 0.5975409734278154
Energy: 0.5056927148810091
Energy: 0.5056272217263795
Energy: 0.48857522848471613
Energy: 0.5065187396161193
Energy: 0.5053572878293008
Energy: 0.7116002596189527
Energy: 0.4883921692106061
Energy: 0.488566488974659
Energy: 0.4806256670088898
Energy: 0.48838873205246214
Energy: 0.4755201491701509
Energy: 0.7102013607347993
Energy: 0.4887914570687007
Energy: 0.48038435555009135
Energy: 0.48260105618700455
Energy: 0.48826491695078117
Energy: 0.4837382283803452
Energy: 0.5978500149701275
Energy: 0.48849501098234793
Energy: 0.4883999153677882
Energy: 0.5064045796997534
Energy: 0.4882211087090523
Energy: 0.4884199705497651
Energy: 0.5942310282164295
Energy: 0.48866185754042707
Energy: 0.4884376389404892
Energy: 0.5030576614897899
Energy: 0.4884857253002648
Energy: 0.4886166724658177
Energy: 0.59368868603125
Energy: 0.48863901654813724
Energy: 0.48886584293551844
Energy: 0.5030499354566595
Energy: 0.48841479774251184
Energy: 0.4891564440380071
Energy: 0.5976653920386509
Energy: 0.4751847936016318
Energy: 0.5053707155172603
Energy: 0.5067761301549649
Energy: 0.47507074375521424
Energy: 0.5050576525383812
Energy: 0.5962605131100113
Energy: 0.48887103137392435
Energy: 0.5057848956984929
Energy: 0.5063385368437723
Energy: 0.48827158278598753
Energy: 0.5053334637132401
Energy: 0.5973862549116302
Energy: 0.5054466113744793
Energy: 0.5052497269315778
Energy: 0.4881752758251039
Energy: 0.48010338258351254
Energy: 0.505282338197333
Energy: 0.5494521866630304
Energy: 0.48180803799032856
Energy: 0.4827888234149746
Energy: 0.5493101102665214
Energy: 0.48211324871505506
Energy: 0.48003967541558507
Energy: 0.4884552741756142
Energy: 0.4888666609445562
Energy: 0.48843289864587275
Energy: 0.48831580315713263
Energy: 0.4993027335290323
Energy: 0.48845530076781846
Energy: 0.4884292270887788
Energy: 0.5055917097738637
Energy: 0.4884943087003676
Energy: 0.48847142324871506
Energy: 0.5050031392811245
Energy: 0.48849437463277756
Energy: 0.5494311029375196
Energy: 0.5032131843224117
Energy: 0.5031551173176373
Energy: 0.48825658976538755
Energy: 0.5031164545701048
Energy: 0.4883921763512097
Energy: 0.5974339560053787
Energy: 0.5053960399550333
Energy: 0.5053131400688382
Energy: 0.4883493993617917
Energy: 0.5104236262462784
Energy: 0.5052623677876933
Energy: 0.47509605392761683
Energy: 0.5057055916587971
Energy: 0.5054935641842104
Energy: 0.47507921255323465
Energy: 0.506464818252236
Energy: 0.5049039700822654
Energy: 0.5496613477000958
Energy: 0.5055202564348891
Energy: 0.5053921044477179
Energy: 0.48011623399184594
Energy: 0.5067126039158883
Energy: 0.5052299804734258
Energy: 0.7101987023799574
Energy: 0.4886226749004079
Energy: 0.4753117873680243
Energy: 0.48293974143351737
Energy: 0.4883228585566506
Energy: 0.48093693493167555

minimum gb energy = 0.47505125223933925 eV
minimum distance =  3.26200095447973 Angstroms
sigma value = 27


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

Energy: 0.5916821123710895
Energy: 0.5165625854904933
Energy: 0.39679859542745116
Energy: 0.4542005133045998
Energy: 0.48660652135243426
Energy: 0.39731839314765643
Energy: 0.500591217664177
Energy: 0.4175004557488929
Energy: 0.4172947550834563
Energy: 0.4346753627655023
Energy: 0.4867721127479022
Energy: 0.4176922844020861
Energy: 0.5231284977111879
Energy: 0.4426024887510112
Energy: 0.4424274361003425
Energy: 0.4174407877299545
Energy: 0.4422843946098071
Energy: 0.44242652343596556
Energy: 0.5003013217790676
Energy: 0.41731763138058864
Energy: 0.4172955154958337
Energy: 0.41776754144766937
Energy: 0.4174354343819118
Energy: 0.41739624709936074
Energy: 0.5682327007892585
Energy: 0.4199623900551796
Energy: 0.41759936524325253
Energy: 0.41758327978306836
Energy: 0.4202304475468449
Energy: 0.4174467950034727
Energy: 0.48586814890104085
Energy: 0.4522600696080295
Energy: 0.45163895453527475
Energy: 0.486061855520705
Energy: 0.4511745116428926
Energy: 0.39602457931742047
Energy: 0.48650097948842475
Energy: 0.4340639585741743
Energy: 0.4173841704227335
Energy: 0.4867342281455767
Energy: 0.4342802606363637
Energy: 0.4178134824208306
Energy: 0.5116740046470393
Energy: 0.4335271447957853
Energy: 0.4338333726663045
Energy: 0.5117477281255823
Energy: 0.4335662461842571
Energy: 0.41721631729313186
Energy: 0.5230852530929166
Energy: 0.41696098070444965
Energy: 0.4354598291268799
Energy: 0.4423178623006395
Energy: 0.43353346205494037
Energy: 0.41745594337870867
Energy: 0.5236397429600932
Energy: 0.43602230423511373
Energy: 0.44232493458602334
Energy: 0.4432905655561542
Energy: 0.4363128544007956
Energy: 0.4425639934116958
Energy: 0.5230533281228031
Energy: 0.45978119415873553
Energy: 0.46113291706893245
Energy: 0.4425684806008701
Energy: 0.4608303436287119
Energy: 0.461703881634226
Energy: 0.5230177335858005
Energy: 0.4175861146365855
Energy: 0.417347916657347
Energy: 0.4347234116987783
Energy: 0.44264119613141056
Energy: 0.4176145843028759

minimum gb energy = 0.39602457931742047 eV
minimum distance =  3.3059041824521 Angstroms
sigma value = 9


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

Energy: 0.4607286814705148
Energy: 0.40593862608231657
Energy: 0.3991601956623553
Energy: 0.38806799057243574
Energy: 0.4056802142485168
Energy: 0.39943125283418895
Energy: 0.39661628229705703
Energy: 0.38426443536702853
Energy: 0.3876988001261373
Energy: 0.38936299822995096
Energy: 0.40521923071503657
Energy: 0.3910515760468281
Energy: 0.4373058172094398
Energy: 0.39496451203023153
Energy: 0.4057520226901769
Energy: 0.40657397442932924
Energy: 0.41369291468161934
Energy: 0.398368166938281
Energy: 0.4370260843196808
Energy: 0.38437170057479775
Energy: 0.38444025407479493
Energy: 0.3993093378553853
Energy: 0.3856384165876468
Energy: 0.3823198674566766
Energy: 0.39816241293218635
Energy: 0.3823762009674979
Energy: 0.37947166492055184
Energy: 0.4133526689460021
Energy: 0.3978405695192072
Energy: 0.39347618781615723
Energy: 0.42163029021420323
Energy: 0.3830829466687827
Energy: 0.3793752981771852
Energy: 0.4217870197008026
Energy: 0.3975608059347825
Energy: 0.3795436326811921
Energy: 0.42215487229860194
Energy: 0.38466075524851573
Energy: 0.38480123602907446
Energy: 0.42253835319306965
Energy: 0.3844490635023011
Energy: 0.3826846855688777
Energy: 0.43096222032162734
Energy: 0.3861308361570065
Energy: 0.3820432608134718
Energy: 0.4299357567500417
Energy: 0.3979313692799783
Energy: 0.3846918374295791
Energy: 0.5007341061526566
Energy: 0.38279052378067885
Energy: 0.39727569603234725
Energy: 0.4005779764253369
Energy: 0.40905835169325466
Energy: 0.38233455506818576
Energy: 0.39648478987567526
Energy: 0.38438478546240806
Energy: 0.3844795081110347
Energy: 0.39950678109689564
Energy: 0.3843565469196217
Energy: 0.38250924219445637
Energy: 0.3965382475248997
Energy: 0.40321775582449215
Energy: 0.39786839488604436
Energy: 0.4006767350010732
Energy: 0.4220129296181484
Energy: 0.3944335417161561
Energy: 0.5004422926063107
Energy: 0.40464656870914395
Energy: 0.393405666411087
Energy: 0.3915535282831616
Energy: 0.4219512535936298
Energy: 0.398893264339163
Energy: 0.5376938141472041
Energy: 0.40581089593458514
Energy: 0.39482966974624706
Energy: 0.3853752126432304
Energy: 0.4060382515556643
Energy: 0.38374655571857025
Energy: 0.500404327737344
Energy: 0.3961373903834307
Energy: 0.3936176260096577
Energy: 0.39169942621045667
Energy: 0.3941265629879365
Energy: 0.39887149047614323
Energy: 0.4128573647560214
Energy: 0.3875518618525149
Energy: 0.3873176049764743
Energy: 0.4130572967002898
Energy: 0.38746146978824436
Energy: 0.39432030517261873
Energy: 0.41281317279535995
Energy: 0.388353949230616
Energy: 0.39084107524546347
Energy: 0.41319111006117665
Energy: 0.3993462847384123
Energy: 0.3972394348018277
Energy: 0.4127470901750271
Energy: 0.3812044240747927
Energy: 0.396764020056302
Energy: 0.4041316534516482
Energy: 0.39085446271878865
Energy: 0.38719717757422323
Energy: 0.448378071753722
Energy: 0.39642620249242816
Energy: 0.39133538526076944
Energy: 0.3901336195450117
Energy: 0.39698005090079086
Energy: 0.3941936815917137
Energy: 0.437557769746248
Energy: 0.3884194362449131
Energy: 0.3886298032961792
Energy: 0.39108820299689756
Energy: 0.3881973612664856
Energy: 0.3926384433824384
Energy: 0.43695301101971235
Energy: 0.394700707510648
Energy: 0.38771308744543137
Energy: 0.3952607317333242
Energy: 0.39525816829451504
Energy: 0.3889395083228352
Energy: 0.43726386996707683
Energy: 0.39680834040567975
Energy: 0.3915980965060712
Energy: 0.3977516452095553
Energy: 0.3983772488627974
Energy: 0.38787960776824687
Energy: 0.4601804531988219
Energy: 0.3964480102859032
Energy: 0.37901173634139285
Energy: 0.39860842401281865
Energy: 0.40221470082467464
Energy: 0.3922225699012989
Energy: 0.459802854595933
Energy: 0.39135535651157605
Energy: 0.39388114169994803
Energy: 0.39845890750813795
Energy: 0.40455185868140725
Energy: 0.3790016533092313
Energy: 0.437315097663501
Energy: 0.384171368434364
Energy: 0.3967911322823505
Energy: 0.40700639701861363
Energy: 0.41375848783104147
Energy: 0.39212246468236467
Energy: 0.5449929316320784
Energy: 0.38908492183650606
Energy: 0.38807835607091945
Energy: 0.3880806312484241
Energy: 0.40472657849600385
Energy: 0.42298388997355346
Energy: 0.4370891705113239
Energy: 0.3822545256085276
Energy: 0.39921474478372615
Energy: 0.4133633907821145
Energy: 0.3916678245811681
Energy: 0.3970110659886479
Energy: 0.40744654353409726
Energy: 0.39383443032268856
Energy: 0.394650512654026
Energy: 0.4075781688472608
Energy: 0.4296800741082029
Energy: 0.37874272003023807
Energy: 0.4217626744325528
Energy: 0.38230335106729285
Energy: 0.38242410756245243
Energy: 0.42181181908420357
Energy: 0.39140991209154197
Energy: 0.39837409292978265
Energy: 0.4217136184624534
Energy: 0.3825880998757074
Energy: 0.39555471003661713
Energy: 0.42183451710254305
Energy: 0.3997187507869252
Energy: 0.3823495874088084
Energy: 0.4167293970717112
Energy: 0.3863187761349553
Energy: 0.3821948580253367
Energy: 0.39307549639610734
Energy: 0.39806134827777967
Energy: 0.38436996181419747
Energy: 0.3965545005748175
Energy: 0.38430926174332397
Energy: 0.38224479909220865
Energy: 0.40049563689490403
Energy: 0.3949864076087613
Energy: 0.3845831075422178
Energy: 0.7082190032800374
Energy: 0.4311480144705717
Energy: 0.384244424376027
Energy: 0.3995448207145612
Energy: 0.4301725028088413
Energy: 0.38267428323120145
Energy: 0.5006045984935072
Energy: 0.4048029894490706
Energy: 0.3971341647397812
Energy: 0.39542684880390416
Energy: 0.4225316727350017
Energy: 0.38259461692180796
Energy: 0.42924368236319205
Energy: 0.40476092184173695
Energy: 0.3940001478644792
Energy: 0.3996155587690852
Energy: 0.4226661891162887
Energy: 0.3813778177739987
Energy: 0.42863941235125325
Energy: 0.3967760220879634
Energy: 0.3939612968141248
Energy: 0.400076456639617
Energy: 0.4002930624682756
Energy: 0.3934723628671712
Energy: 0.425872366257623
Energy: 0.38766690500697576
Energy: 0.3931953220486176
Energy: 0.3904338543004376
Energy: 0.38819529050544765
Energy: 0.3891611827339719
Energy: 0.4131010078008296
Energy: 0.3904616823576471
Energy: 0.3883076091123144
Energy: 0.41342670197427683
Energy: 0.3986477230117903
Energy: 0.3875490271250321
Energy: 0.4128137838601198
Energy: 0.38962964116035226
Energy: 0.3886596934085775
Energy: 0.4053307530038015
Energy: 0.3894293925201738
Energy: 0.3878817595375561
Energy: 0.4053699464794531
Energy: 0.38450099855792186
Energy: 0.38476573467850966
Energy: 0.4052919955743286
Energy: 0.38467459779872715
Energy: 0.38218328274163227
Energy: 0.43686823827190574
Energy: 0.3900139310327545
Energy: 0.3878616546292541
Energy: 0.4051960915977175
Energy: 0.38975988697816866
Energy: 0.38760123086287135
Energy: 0.43578126505840004
Energy: 0.3893890548502181
Energy: 0.3897604781388402
Energy: 0.39481152829637634
Energy: 0.38724051237699886
Energy: 0.389466971853926
Energy: 0.43765033545907556
Energy: 0.39519263836239016
Energy: 0.38800205489352624
Energy: 0.39780438775893556
Energy: 0.3957565781256641
Energy: 0.3896054481410892
Energy: 0.4600665687532535
Energy: 0.3949819829147972
Energy: 0.39515157982542837
Energy: 0.39843598022489213
Energy: 0.39015354952075937
Energy: 0.3789987808316881

minimum gb energy = 0.37874272003023807 eV
minimum distance =  3.24172344277563 Angstroms
sigma value = 57


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

Energy: 0.3956214750356402
Energy: 0.36562821357306696
Energy: 0.36421389781206365
Energy: 0.3726114011375929
Energy: 0.3600810703756906
Energy: 0.37194333372819277
Energy: 0.39607892764379715
Energy: 0.34464448969222994
Energy: 0.3475852425348975
Energy: 0.34639361714765887
Energy: 0.34798806081103445
Energy: 0.34793404754498347
Energy: 0.4303057953367592
Energy: 0.3475612191417046
Energy: 0.3546715921143087
Energy: 0.3681379389707511
Energy: 0.3474024528245668
Energy: 0.3680477052369028
Energy: 0.43052933308943386
Energy: 0.34815501602663323
Energy: 0.3543907250537909
Energy: 0.3466034572451629
Energy: 0.3476644512577137
Energy: 0.3477963327349514
Energy: 0.40371538156242737
Energy: 0.21737342090589176
Energy: 0.21738220525311852
Energy: 0.33322925194028785
Energy: 0.21517728501852354
Energy: 0.3443082870137977
Energy: 0.40273962022656684
Energy: 0.21484787565078417
Energy: 0.21585123034032075
Energy: 0.33898545374284167
Energy: 0.2153354902465923
Energy: 0.21588489248282075
Energy: 0.40312969671741755
Energy: 0.3443261176733963
Energy: 0.34485488406389425
Energy: 0.33351294529458464
Energy: 0.34708955576594896
Energy: 0.34698422638861187
Energy: 0.49025856230288295
Energy: 0.3473575601766657
Energy: 0.3475035613505843
Energy: 0.3417709510605737
Energy: 0.3472805889576005
Energy: 0.33382299715750174
Energy: 0.4078662671904966
Energy: 0.3472166424716342
Energy: 0.3470535748631534
Energy: 0.3334717322899956
Energy: 0.346759282330498
Energy: 0.344639587409835
Energy: 0.2157542607962872
Energy: 0.3323737965742665
Energy: 0.2148817681998327
Energy: 0.21555591104887017
Energy: 0.44611011353187163
Energy: 0.21679138759869465
Energy: 0.21577145340463405
Energy: 0.4321971153449002
Energy: 0.3368895840257744
Energy: 0.21554260446957574
Energy: 0.44121520981118245
Energy: 0.21523524314579198
Energy: 0.407398021473102
Energy: 0.3480138262357161
Energy: 0.3476994855645888
Energy: 0.333976731034907
Energy: 0.34484457806565405
Energy: 0.34779336385673815
Energy: 0.40080498898722294
Energy: 0.34032577020060395
Energy: 0.3928105209643966
Energy: 0.3879095329847087
Energy: 0.3550729178865557
Energy: 0.39257337017892047
Energy: 0.40764090963060534
Energy: 0.3433221772904325
Energy: 0.34379273629031604
Energy: 0.38342088404886704
Energy: 0.334032538313484
Energy: 0.34417771069592723
Energy: 0.4072138633895707
Energy: 0.214482353962621
Energy: 0.21467864688164462
Energy: 0.3461709060058799
Energy: 0.21505327154677722
Energy: 0.2149362516213694
Energy: 0.39981142723604013
Energy: 0.34310457654656146
Energy: 0.3436310682928135
Energy: 0.37771963778711654
Energy: 0.217912034948501
Energy: 0.34795194124090556
Energy: 0.42534178579768633
Energy: 0.3548636179841915
Energy: 0.35516061347810557
Energy: 0.36798016940413564
Energy: 0.35489790504782975
Energy: 0.3666245413630558
Energy: 0.4302957105920703
Energy: 0.3475412541576134
Energy: 0.34711348414184795
Energy: 0.3685899213820966
Energy: 0.3471750526600655
Energy: 0.3659691768161217
Energy: 0.3961777993566921
Energy: 0.34472274272957076
Energy: 0.344542638527233
Energy: 0.3638997781213182
Energy: 0.34469045731950687
Energy: 0.3452349485070617

minimum gb energy = 0.214482353962621 eV
minimum distance =  3.24681096226276 Angstroms
sigma value = 11


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

Energy: 0.37687859245583516
Energy: 0.3063773370265136
Energy: 0.38686040920138115
Energy: 0.3895469581163422
Energy: 0.388096962763031
Energy: 0.3857621777245988
Energy: 0.32023224882881585
Energy: 0.3118698630760463
Energy: 0.31155890466617453
Energy: 0.31077480167416766
Energy: 0.3094314553337583
Energy: 0.30889694802000367
Energy: 0.31342453215478583
Energy: 0.3082975191531989
Energy: 0.30835796584827874
Energy: 0.31068167653971723
Energy: 0.31015473304879443
Energy: 0.307912911903926
Energy: 0.3133840446391384
Energy: 0.30870180916892037
Energy: 0.3078906211681805
Energy: 0.3107386338657979
Energy: 0.3099135063599816
Energy: 0.3084698190380543
Energy: 0.3120517564641031
Energy: 0.3475259227631261
Energy: 0.3474551676658738
Energy: 0.3102838282460126
Energy: 0.3481171555579147
Energy: 0.310151296456797
Energy: 0.33317168324893437
Energy: 0.3132517904438333
Energy: 0.3115706787393287
Energy: 0.30997831200125137
Energy: 0.3120650116733293
Energy: 0.3483751042510993
Energy: 0.33476594689753325
Energy: 0.3113870427298145
Energy: 0.30849294749741557
Energy: 0.3098038101058048
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Energy: 0.307926997411564
Energy: 0.3342551035221678
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Energy: 0.30846318286470015
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Energy: 0.3977789772499921
Energy: 0.30866474176772124
Energy: 0.30887831822516715
Energy: 0.34965089562037155
Energy: 0.3215481280315605
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Energy: 0.38720449158753895
Energy: 0.38642150306880324
Energy: 0.3477452425266166
Energy: 0.347891281814172
Energy: 0.3864240318564794
Energy: 0.544825319791484
Energy: 0.3092997906340537
Energy: 0.3059387122016209
Energy: 0.32123827233309116
Energy: 0.31829856258816036
Energy: 0.31044360242630414
Energy: 0.6298216074256944
Energy: 0.3486272930997008
Energy: 0.34847407665525165
Energy: 0.30600902209504555
Energy: 0.34886868736781224
Energy: 0.3484757880819772
Energy: 0.4881918656856784
Energy: 0.3100511731956953
Energy: 0.3089831064180046
Energy: 0.30817527664986555
Energy: 0.31098735966506724
Energy: 0.30843909338462205
Energy: 0.43756626658942693
Energy: 0.3206533756479031
Energy: 0.31862859396803006
Energy: 0.31095444265626965
Energy: 0.31894309913496144
Energy: 0.3128398130431323
Energy: 0.4879861609824381
Energy: 0.3480424890604347
Energy: 0.3481575158111324
Energy: 0.34889249268095807
Energy: 0.3850806581119726
Energy: 0.34812543560754383
Energy: 0.31384457524469334
Energy: 0.30832824964648675
Energy: 0.3138407753854121
Energy: 0.4309214996228178
Energy: 0.30685342501868257
Energy: 0.3876451477048643
Energy: 0.314349837485446
Energy: 0.34927101940468575
Energy: 0.34880267544694726
Energy: 0.3478182925676908
Energy: 0.3095190725807578
Energy: 0.3488886939384764
Energy: 0.3147615367521846
Energy: 0.30865336789489517
Energy: 0.3094393622863059
Energy: 0.3098665725497051
Energy: 0.3102905383659817
Energy: 0.3085316406797119
Energy: 0.3160331662235959
Energy: 0.3095008406504564
Energy: 0.3091476630531817
Energy: 0.31133288514967433
Energy: 0.3103398131951946
Energy: 0.30777380211676164
Energy: 0.34650634141921705
Energy: 0.3095816573991183
Energy: 0.30975467907328275
Energy: 0.3476021079044389
Energy: 0.31014575908721936
Energy: 0.3059444795778462

minimum gb energy = 0.30588454813861354 eV
minimum distance =  3.28033552227956 Angstroms
sigma value = 41


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

Energy: 0.7931690374912705
Energy: 0.3259215542471741
Energy: 0.32678329631154995
Energy: 0.35792434946926055
Energy: 0.43948946720825277
Energy: 0.33636272581569204
Energy: 0.3511687413121005
Energy: 0.3288428136284008
Energy: 0.32959753729254365
Energy: 0.33147199258024895
Energy: 0.3296115916480652
Energy: 0.3298351229864319
Energy: 0.3373292082525833
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Energy: 0.3302500169262255
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Energy: 0.3306082426320863
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Energy: 0.3314835051440575
Energy: 0.33120185672678143
Energy: 0.33331308044789193
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Energy: 0.3306255961635127
Energy: 0.35026872239978796
Energy: 0.3307769854389922
Energy: 0.3303189662465887
Energy: 0.3251412027002455
Energy: 0.33052894008893
Energy: 0.34376404720366555
Energy: 0.3696949511634465
Energy: 0.32961330551458784
Energy: 0.32974417007541595
Energy: 0.33116601670611523
Energy: 0.3313153689197935
Energy: 0.33032590047967797
Energy: 0.3713829988148458
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Energy: 0.330380952270042
Energy: 0.33059469889220067
Energy: 0.33115569528844424
Energy: 0.33105904360872773
Energy: 0.37104455029017785
Energy: 0.33340669900456027
Energy: 0.3332214046291571
Energy: 0.3327653814313708
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Energy: 0.3331421806039549
Energy: 0.3710154918360854
Energy: 0.32556068998617976
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Energy: 0.32395410276588266
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Energy: 0.33208097722088886
Energy: 0.3297697468802595
Energy: 0.5803246308801465
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Energy: 0.34753705308079735
Energy: 0.45184382574935245
Energy: 0.3471711345382175
Energy: 0.33268063124173863
Energy: 0.37183977380328115
Energy: 0.33020581404169314
Energy: 0.3297468180923627
Energy: 0.33046679394481343
Energy: 0.3317597354121019
Energy: 0.3299604275938367
Energy: 0.35015036558160056
Energy: 0.34669314590629013
Energy: 0.34652789535000206
Energy: 0.3250209668330797
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Energy: 0.32648996256842155
Energy: 0.3701558095099904
Energy: 0.3314143224919443
Energy: 0.3307690080605804
Energy: 0.33084099078851953
Energy: 0.3311716984042709
Energy: 0.33012513872991783
Energy: 0.37108681110457536
Energy: 0.3335688166716804
Energy: 0.33328473000976666
Energy: 0.33275122317706796
Energy: 0.3334828274740729
Energy: 0.3335443176865224
Energy: 0.3715332467268577
Energy: 0.329356254677026
Energy: 0.33013284990807423
Energy: 0.3329038328054139
Energy: 0.33088073306966426
Energy: 0.33100537276216657
Energy: 0.3709831540092526
Energy: 0.3241722017728348
Energy: 0.3381296578534619
Energy: 0.3374123633956429
Energy: 0.32664461007920725
Energy: 0.3365212125303559
Energy: 0.3416555620113956
Energy: 0.32565984755096106
Energy: 0.33062212570254684
Energy: 0.3303752902065262
Energy: 0.3258474002428266
Energy: 0.32502278437941995
Energy: 0.3416761870222636
Energy: 0.33691127244037355
Energy: 0.337992623611456
Energy: 0.33316659959762557
Energy: 0.3371121121384596
Energy: 0.3380522797211201
Energy: 0.3410659746178373
Energy: 0.3297427459806951
Energy: 0.32952776495801256
Energy: 0.3300852885801927
Energy: 0.3295333703405284
Energy: 0.32981160865114795
Energy: 0.3378448912801763
Energy: 0.3289194881098335
Energy: 0.3314501814219968
Energy: 0.32939965549814193
Energy: 0.3318397041582088
Energy: 0.3313682936886878
Energy: 0.39240492438985
Energy: 0.33243504064160434
Energy: 0.33043473210919755
Energy: 0.3280303023019038
Energy: 0.3310441206147504
Energy: 0.33063174121233824

minimum gb energy = 0.32395410276588266 eV
minimum distance =  3.26142287759209 Angstroms
sigma value = 33


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

Energy: 0.42377656890916315
Energy: 0.37441838898571855
Energy: 0.3740099845987928
Energy: 0.37084601093496294
Energy: 0.37448283241846536
Energy: 0.3741321417090235
Energy: 0.3818956587176329
Energy: 0.35541798362853827
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Energy: 0.3551404330209881
Energy: 0.35550341533157215
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Energy: 0.3651189666936891
Energy: 0.35446432583460025
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Energy: 0.3541097758911039
Energy: 0.35544867681424436
Energy: 0.3546359323879376
Energy: 0.36490579160707215
Energy: 0.35771350239872723
Energy: 0.3546052455115613
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Energy: 0.35626321560436613
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Energy: 0.3551848539296167
Energy: 0.35448119768000375
Energy: 0.35118607237823973
Energy: 0.3547720554515375
Energy: 0.354657039140193
Energy: 0.39972518294416987
Energy: 0.3541956203965441
Energy: 0.37910605536668046
Energy: 0.3820961545639345
Energy: 0.35436630246710626
Energy: 0.3793966440492851
Energy: 0.36604710171881616
Energy: 0.3565618331883214
Energy: 0.35410326106247003
Energy: 0.35401256983173107
Energy: 0.35495791717926173
Energy: 0.3562658888913377
Energy: 0.4359928401499566
Energy: 0.3541779644771244
Energy: 0.34945486433445033
Energy: 0.34818500228709853
Energy: 0.3544093556649654
Energy: 0.34892962206388967

minimum gb energy = 0.34818500228709853 eV
minimum distance =  3.27556270661831 Angstroms
sigma value = 67


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

Energy: 0.5745215236546148
Energy: 0.4092134582113013
Energy: 0.4082725264662241
Energy: 0.4084280640464535
Energy: 0.39336744947950864
Energy: 0.4084268048819204
Energy: 0.4151681460208644
Energy: 0.38642424624167526
Energy: 0.38632267900313405
Energy: 0.3860067365461083
Energy: 0.3863408147456078
Energy: 0.386256673819527
Energy: 0.3906049375848854
Energy: 0.3660663656378663
Energy: 0.37542178299322254
Energy: 0.37581514745421996
Energy: 0.36663452483726017
Energy: 0.37524936661539365
Energy: 0.3904453859515546
Energy: 0.37603000251756863
Energy: 0.37540452836562377
Energy: 0.37600055718921516
Energy: 0.37543484719797837
Energy: 0.3766218625203279
Energy: 0.4050572378024106
Energy: 0.38659488714925383
Energy: 0.3865812283868133
Energy: 0.38934102740630655
Energy: 0.3865059961267868
Energy: 0.3868364756229434
Energy: 0.4055357679677254
Energy: 0.3818709892857815
Energy: 0.3877325777078501
Energy: 0.38721163137223136
Energy: 0.3837443773247455
Energy: 0.3880565250402706
Energy: 0.41751486740942334
Energy: 0.386931275683806
Energy: 0.3862164924574536
Energy: 0.3662351947574494
Energy: 0.3864245755288273
Energy: 0.38628201807558965

minimum gb energy = 0.3660663656378663 eV
minimum distance =  3.30833044427912 Angstroms
sigma value = 3


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

Energy: 0.56956559135962
Energy: 0.4404624617989536
Energy: 0.4028581898835591
Energy: 0.44598456835227673
Energy: 0.4639710009186633
Energy: 0.4296396876841735
Energy: 0.4624923578991124
Energy: 0.44793815503038187
Energy: 0.4463266087246172
Energy: 0.42125429985568785
Energy: 0.424610145493065
Energy: 0.4227027450457435
Energy: 0.4915359787046524
Energy: 0.444833889509431
Energy: 0.44032058826127934
Energy: 0.4501525438768831
Energy: 0.44504708284572475
Energy: 0.46476265686175877
Energy: 0.4666336730490223
Energy: 0.4220915440205428
Energy: 0.42356415305536127
Energy: 0.4204345502464039
Energy: 0.44328844968229636
Energy: 0.42267118537867
Energy: 0.46863829585073447
Energy: 0.4114601234746514
Energy: 0.4627565005506004
Energy: 0.4145493189593497
Energy: 0.4128558275243389
Energy: 0.4140409611417398
Energy: 0.4822247250720703
Energy: 0.4184292327123233
Energy: 0.41307097737802567
Energy: 0.4748590001700621
Energy: 0.4127464371029655
Energy: 0.41599801398365455
Energy: 0.4688959376827385
Energy: 0.41385235901790196
Energy: 0.412978461043763
Energy: 0.45857060024881774
Energy: 0.4123984264232814
Energy: 0.41199194704168135
Energy: 0.5542953410581436
Energy: 0.48842078145936796
Energy: 0.47197920290083517
Energy: 0.4616699444915247
Energy: 0.4912639078086168
Energy: 0.4638896826889832
Energy: 0.4694645758085653
Energy: 0.45757209843799934
Energy: 0.48148921793137905
Energy: 0.41490655310469965
Energy: 0.45846440183949827
Energy: 0.48111147874970445
Energy: 0.489583097997399
Energy: 0.471593454003909
Energy: 0.47441381808177
Energy: 0.4881174389080453
Energy: 0.4687412871533656
Energy: 0.4570351401851526
Energy: 0.47418894811098833
Energy: 0.43463785182169384
Energy: 0.44681444714702867
Energy: 0.4796809583964283
Energy: 0.42972783974789275
Energy: 0.46058401248998376
Energy: 0.4854768433669327
Energy: 0.4570691346215641
Energy: 0.4588912540518659
Energy: 0.4667534198123363
Energy: 0.45676807100987105
Energy: 0.46083074541298213
Energy: 0.4493506076472267
Energy: 0.4583433959726759
Energy: 0.46047458244135253
Energy: 0.434286572238103
Energy: 0.46219201855617886
Energy: 0.46266633675046454
Energy: 0.49398062172632146
Energy: 0.47677046435538095
Energy: 0.46868360056279074
Energy: 0.4774799179087648
Energy: 0.47603950955868707
Energy: 0.46868107777416446
Energy: 0.4944606937822391
Energy: 0.4952318517714813
Energy: 0.48398941418863406
Energy: 0.45067552755555895
Energy: 0.4821186841995023
Energy: 0.4816743871177513
Energy: 0.5194726946172407
Energy: 0.4818179256076996
Energy: 0.4822720440122661
Energy: 0.47885384958411153
Energy: 0.475271768392706
Energy: 0.4823131943852028
Energy: 0.5202580079360647
Energy: 0.46778337847035073
Energy: 0.4689742913937859
Energy: 0.4732179744703
Energy: 0.46748980853657573
Energy: 0.4655320285155433
Energy: 0.5275463755607592
Energy: 0.46375302278845715
Energy: 0.49889732141028553
Energy: 0.4794169115457051
Energy: 0.47824310917863716
Energy: 0.4793448740445736
Energy: 0.498325375967576
Energy: 0.47566670408738376
Energy: 0.47568192921085417
Energy: 0.461114821050486
Energy: 0.4788330096270232
Energy: 0.4640670609616987
Energy: 0.48018938885433443
Energy: 0.4875847159270805
Energy: 0.48839640900060166
Energy: 0.4644017246999133
Energy: 0.48899797055674654
Energy: 0.46480637317697665
Energy: 0.47265309097193753
Energy: 0.46056235701864373
Energy: 0.45408686709552615
Energy: 0.4541726543386845
Energy: 0.46021812767497405
Energy: 0.45431391815285593
Energy: 0.47038058457350745
Energy: 0.453998216115719
Energy: 0.4542604190817834
Energy: 0.4567557367918262
Energy: 0.4536191283451267
Energy: 0.4519948092522786
Energy: 0.4722574410836645
Energy: 0.4552833775671464
Energy: 0.4543573215368326
Energy: 0.4526360200923925
Energy: 0.455022672158817
Energy: 0.45434825517015737
Energy: 0.48052573765693374
Energy: 0.4568450003327308
Energy: 0.4577808334929278
Energy: 0.4804706534508526
Energy: 0.4603336249689615
Energy: 0.49993625806439806
Energy: 0.4830616009595445
Energy: 0.47959713433390083
Energy: 0.4791626376234736
Energy: 0.4750661163766423
Energy: 0.4932407775157836
Energy: 0.47817957972560704
Energy: 0.49508058250589027
Energy: 0.4946770116188478
Energy: 0.4182882437045799
Energy: 0.41676714423687955
Energy: 0.4952069330590113
Energy: 0.42184409693153246
Energy: 0.4189948168323801
Energy: 0.49469719158305736
Energy: 0.42701266208956046
Energy: 0.4517168404627297
Energy: 0.49506674920679533
Energy: 0.4290048243043221
Energy: 0.4832933366249021
Energy: 0.4769933507197854
Energy: 0.4788014269985797
Energy: 0.4792721973938819
Energy: 0.4776413447830112
Energy: 0.477838003205478
Energy: 0.48048470526308046
Energy: 0.44028538455013316
Energy: 0.44254645486666316
Energy: 0.4810910832734626
Energy: 0.4601590358675805
Energy: 0.4807892764899638
Energy: 0.49918937479261966
Energy: 0.4635376869347529
Energy: 0.46407560770547207
Energy: 0.4979727859445893
Energy: 0.45612373248163873
Energy: 0.46549597835036055
Energy: 0.48415852649799096
Energy: 0.4730239069744232
Energy: 0.47380881563096383
Energy: 0.4740080848486668
Energy: 0.47512646582129026
Energy: 0.4738696595868561
Energy: 0.47021805279510287
Energy: 0.46512590656965874
Energy: 0.46456867102877203
Energy: 0.46002513172589055
Energy: 0.4630481420448627
Energy: 0.46347189229582814
Energy: 0.5030486596925863
Energy: 0.4864098295970436
Energy: 0.48189669278202696
Energy: 0.4550325342994104
Energy: 0.46160530740430006
Energy: 0.45504712559999577
Energy: 0.4871816456148984
Energy: 0.48347599227567917
Energy: 0.4593149609912202
Energy: 0.4560575293940522
Energy: 0.4868759262785245
Energy: 0.4597582969453157
Energy: 0.46948469469049664
Energy: 0.4680979764902002
Energy: 0.45659281989976763
Energy: 0.4610035535485179
Energy: 0.4497824583703785
Energy: 0.46395382349306613
Energy: 0.49192344310893216
Energy: 0.46740809382716064
Energy: 0.47821573012055846
Energy: 0.4582533552458512
Energy: 0.4695074658725831
Energy: 0.4432270823264621
Energy: 0.48478995992266766
Energy: 0.4609798438934724
Energy: 0.46231897025991686
Energy: 0.4622300115728874
Energy: 0.4587477300542214
Energy: 0.4630539884659343
Energy: 0.4494514790558549
Energy: 0.461168162828255
Energy: 0.46237564028723355
Energy: 0.43133624405372323
Energy: 0.45718336428187845
Energy: 0.48511758278616984
Energy: 0.4739944177588415
Energy: 0.4586485670985573
Energy: 0.46260126422570796
Energy: 0.4579437829059612
Energy: 0.46595773382203454
Energy: 0.4602160153910155
Energy: 0.4660626147766173
Energy: 0.48180386951079857
Energy: 0.4804669884109058
Energy: 0.43799984219856075
Energy: 0.48188296458817254
Energy: 0.4807819459695676
Energy: 0.5189224756344405
Energy: 0.4753817509547145
Energy: 0.4836865177346911
Energy: 0.48377271221676577
Energy: 0.4743019143270073
Energy: 0.4871437195869087
Energy: 0.5087176159517455
Energy: 0.4414713204935923
Energy: 0.44155260225475573
Energy: 0.5077806872672049
Energy: 0.4675679799023649
Energy: 0.49513206129750353
Energy: 0.5585401802014105
Energy: 0.45450365842208446
Energy: 0.4528004316395878
Energy: 0.4933960802486659
Energy: 0.4541684363894895
Energy: 0.4609489021795076
Energy: 0.5237112769636124
Energy: 0.4784089287957322
Energy: 0.47919321630323514
Energy: 0.4356845074978552
Energy: 0.47467341260829876
Energy: 0.48183545291499863
Energy: 0.5328694977122036
Energy: 0.4233026018891589
Energy: 0.4683017159640442
Energy: 0.4862315796128908
Energy: 0.4263089798099753
Energy: 0.4668062054493856
Energy: 0.4708694505764123
Energy: 0.40392500265330256
Energy: 0.40529078797772333
Energy: 0.40558408924326084
Energy: 0.40748119857857384
Energy: 0.40150517140337455
Energy: 0.4694230731081318
Energy: 0.40893882799363634
Energy: 0.4027664909561808
Energy: 0.45588081166920547
Energy: 0.40503605801121034
Energy: 0.4069760453356677
Energy: 0.47060992340639135
Energy: 0.40641303769408027
Energy: 0.4564142874539291
Energy: 0.40665929470853784
Energy: 0.4055776528814418
Energy: 0.40606976859323907
Energy: 0.4833683516292747
Energy: 0.45537014605585324
Energy: 0.4221918480703233
Energy: 0.43922905415771
Energy: 0.4557045734542371
Energy: 0.4228554469189922
Energy: 0.47857487409314636
Energy: 0.4548921358331662
Energy: 0.45409003205123055
Energy: 0.440162691054041
Energy: 0.4558122277282411
Energy: 0.4686558301055458
Energy: 0.4407386152768449
Energy: 0.44302713333834254
Energy: 0.442195895414314
Energy: 0.415149462465859
Energy: 0.42722147501757757
Energy: 0.422397178986356

minimum gb energy = 0.40150517140337455 eV
minimum distance =  3.24317539750392 Angstroms
sigma value = 81


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

Energy: 1.0175956246426485
Energy: 0.44066755626591386
Energy: 0.43866162071548526
Energy: 0.4399762514036235
Energy: 0.44238785497282906
Energy: 0.44014538698015176
Energy: 0.40711613096683485
Energy: 0.40156398488220285
Energy: 0.4024699714784512
Energy: 0.42384389738050154
Energy: 0.3988203761213847
Energy: 0.4284321637521272
Energy: 0.4243021455615908
Energy: 0.40990798313343035
Energy: 0.4135901748406977
Energy: 0.4212283744708599
Energy: 0.4083380016512674
Energy: 0.4314349685679828
Energy: 0.43292934531670724
Energy: 0.40967521192623485
Energy: 0.44162533549422234
Energy: 0.43308603637975496
Energy: 0.41048598939619546
Energy: 0.4412411600423937
Energy: 0.4279025295058308
Energy: 0.42609281970860985
Energy: 0.42584543514251033
Energy: 0.4264739908060696
Energy: 0.4237087145045794
Energy: 0.42517096321773606
Energy: 0.43106958648689225
Energy: 0.4238617455474596
Energy: 0.42842305701834715
Energy: 0.4096267933616752
Energy: 0.425675728798263
Energy: 0.42510769497544776
Energy: 0.423207526151204
Energy: 0.4612380987785901
Energy: 0.461062217297306
Energy: 0.45349596366778466
Energy: 0.39990598332953065
Energy: 0.4622128261831563
Energy: 0.5458647974456521
Energy: 0.43735760523410594
Energy: 0.44499008899567966
Energy: 0.4437272134544123
Energy: 0.4372344790531289
Energy: 0.44828424028007957
Energy: 0.4867747682598506
Energy: 0.4521366129469595
Energy: 0.4522190716014634
Energy: 0.45120767320445676
Energy: 0.4015839509951405
Energy: 0.4519209262817652
Energy: 0.448395548424741
Energy: 0.4528744426931821
Energy: 0.4519937968875397
Energy: 0.43878435428453894
Energy: 0.45366553624636535
Energy: 0.451903416553216
Energy: 0.4297786661930386
Energy: 0.4006071496440475
Energy: 0.3999688012301899
Energy: 0.4019968698841649
Energy: 0.40115921366077684
Energy: 0.4013069228238862
Energy: 0.4276704608982068
Energy: 0.4043455740768952
Energy: 0.4037557196452334
Energy: 0.40760090135530413
Energy: 0.4030036649318456
Energy: 0.4035053047963704
Energy: 0.42705247390231243
Energy: 0.41533262988195924
Energy: 0.4248093176478997
Energy: 0.4081511719423665
Energy: 0.41599103059897036
Energy: 0.41434350901995676
Energy: 0.4484652820361104
Energy: 0.43296320624857104
Energy: 0.40691408153035596
Energy: 0.4176091497750338
Energy: 0.43382524341454043
Energy: 0.4164356511474478
Energy: 0.4586245396710226
Energy: 0.46491813995946063
Energy: 0.43023818473315034
Energy: 0.4307828824658326
Energy: 0.4151885048326965
Energy: 0.4310418549072416
Energy: 0.4474484741684134
Energy: 0.4563839361000853
Energy: 0.4305911623902229
Energy: 0.40566894846702134
Energy: 0.4587730788929367
Energy: 0.4308945388640797
Energy: 0.45486487444623147
Energy: 0.43346110607292637
Energy: 0.43264987580671566
Energy: 0.4232403933178813
Energy: 0.432461416656114
Energy: 0.43424862335783193
Energy: 0.5023744653813204
Energy: 0.448807237025151
Energy: 0.44867438227924517
Energy: 0.45459765645763156
Energy: 0.4486739975377263
Energy: 0.45523790977133827
Energy: 0.5014216790438014
Energy: 0.4236768838287297
Energy: 0.4233078520778116
Energy: 0.449298260990587
Energy: 0.4547587126168874
Energy: 0.4234108218841633
Energy: 0.5016132952896931
Energy: 0.4255185729822808
Energy: 0.42211477863725666
Energy: 0.44924578495136763
Energy: 0.4583723212342125
Energy: 0.42277451102801383
Energy: 0.40626519254927274
Energy: 0.4029391678194579
Energy: 0.40276715721389755
Energy: 0.40198403598346855
Energy: 0.39968163199105816
Energy: 0.40514799915438104
Energy: 0.44125535693695417
Energy: 0.4236929697684946
Energy: 0.4139132956992841
Energy: 0.4113277043447588
Energy: 0.42273249393176043
Energy: 0.4141569754972511
Energy: 0.4404935746034858
Energy: 0.4240524537956051
Energy: 0.4117257626149393
Energy: 0.4340241499223046
Energy: 0.4244010720811816
Energy: 0.4132008016573835
Energy: 0.43583007314508543
Energy: 0.43219922652164017
Energy: 0.4320763112195384
Energy: 0.43468860264588266
Energy: 0.43354908209337656
Energy: 0.43321515532178834
Energy: 0.43131678657243794
Energy: 0.4313837613797463
Energy: 0.43067421799360966
Energy: 0.42862460130954416
Energy: 0.4301190078580547
Energy: 0.4300290126122985
Energy: 0.47532306751822867
Energy: 0.4608664319857241
Energy: 0.4415436023864985
Energy: 0.43318843715480543
Energy: 0.4317285937473732
Energy: 0.4552713100227614
Energy: 0.4761267641671211
Energy: 0.445542989629926
Energy: 0.4460386776132179
Energy: 0.43214328114037653
Energy: 0.45328335101299466
Energy: 0.4541856051764919
Energy: 0.4219897507337246
Energy: 0.4467737903331621
Energy: 0.4457893098713252
Energy: 0.4505408182923318
Energy: 0.4466932159600653
Energy: 0.4466957379056913
Energy: 0.4805462579993245
Energy: 0.4540881484596852
Energy: 0.4590077056013135
Energy: 0.46875063650173476
Energy: 0.4546519587807427
Energy: 0.4593984110198207
Energy: 0.4233979581613538
Energy: 0.4021365213512683
Energy: 0.4020898205254337
Energy: 0.40008475219947703
Energy: 0.40198001634149133
Energy: 0.40267948921626534
Energy: 0.42634329461918363
Energy: 0.4151694488865166
Energy: 0.406431108916612
Energy: 0.40872441680416755
Energy: 0.36820311108857534
Energy: 0.4150508504451695
Energy: 0.4312602280551938
Energy: 0.4265533628528219
Energy: 0.42534726108135357
Energy: 0.4269189263354656
Energy: 0.4258125265247905
Energy: 0.4041732783651884
Energy: 0.4565041296005602
Energy: 0.42684186745377717
Energy: 0.4267490277521
Energy: 0.42693624789488177
Energy: 0.426272865007059
Energy: 0.42644288645659667
Energy: 0.45610560014812235
Energy: 0.42797610884762655
Energy: 0.4286542205434792
Energy: 0.42642458407913825
Energy: 0.4260885739462264
Energy: 0.42790478128068365
Energy: 0.4529232698797888
Energy: 0.42269604051784787
Energy: 0.4262545012017826
Energy: 0.425608639205309
Energy: 0.4357413876343547
Energy: 0.4259317010465576
Energy: 0.4702254504448266
Energy: 0.4325217250753539
Energy: 0.43226863882328515
Energy: 0.4531890351371487
Energy: 0.43242733397547106
Energy: 0.48316628445466925
Energy: 0.4223959810061313
Energy: 0.4467532808626103
Energy: 0.44670171171254286
Energy: 0.4246068937442527
Energy: 0.44690183287044244
Energy: 0.4783021633927058
Energy: 0.4892776681400754
Energy: 0.4621429591779704
Energy: 0.44016649924916107
Energy: 0.43702270871446675
Energy: 0.4628914704228788
Energy: 0.43983331894069677

minimum gb energy = 0.36820311108857534 eV
minimum distance =  3.2645410384138 Angstroms
sigma value = 43


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

Energy: 0.5807440770241635
Energy: 0.42058876034035403
Energy: 0.4064772016249654
Energy: 0.4544152758177605
Energy: 0.4183691539122989
Energy: 0.4775905115335898
Energy: 0.4169762852889455
Energy: 0.39687710357057826
Energy: 0.386823451850923
Energy: 0.4249028675738459
Energy: 0.3962826004488953
Energy: 0.4024797850203158
Energy: 0.4210728865556676
Energy: 0.41860992936442887
Energy: 0.41829967319791667
Energy: 0.44038568146360074
Energy: 0.41849960972461264
Energy: 0.42892548407700415
Energy: 0.4423896396283338
Energy: 0.41709204348865087
Energy: 0.41565838536185185
Energy: 0.4422717607672195
Energy: 0.4183079626993825
Energy: 0.4062977233825208
Energy: 0.395851404533187
Energy: 0.38482695445564324
Energy: 0.3848333974595351
Energy: 0.38458711106279353
Energy: 0.38483392555955726
Energy: 0.3849414215498624
Energy: 0.39697154789163813
Energy: 0.384873284765485
Energy: 0.38498705065496225
Energy: 0.3849636639121521
Energy: 0.3854626698142395
Energy: 0.3850503560864138
Energy: 0.39657513999852584
Energy: 0.3851762493993265
Energy: 0.38545613061094025
Energy: 0.38518205353759366
Energy: 0.39575088920297985
Energy: 0.38471789522331423
Energy: 0.4416625416156807
Energy: 0.43809105321079866
Energy: 0.4287742549741423
Energy: 0.41172680877725293
Energy: 0.43695079746894516
Energy: 0.43065493705346003
Energy: 0.39742541479738586
Energy: 0.43196370130226225
Energy: 0.4269020064132656
Energy: 0.3935274859030141
Energy: 0.42517862925730754
Energy: 0.4055789939388816
Energy: 0.4664336007062534
Energy: 0.4342111147943164
Energy: 0.43588852727641253
Energy: 0.4359202829581684
Energy: 0.4486906992078039
Energy: 0.4460984898355033
Energy: 0.39860267543620276
Energy: 0.45033641223033244
Energy: 0.4490319987597144
Energy: 0.3940265816756059
Energy: 0.4015441665913662
Energy: 0.3955251358816155
Energy: 0.45793990465844203
Energy: 0.43168996832666195
Energy: 0.4267218744768349
Energy: 0.38687099119042023
Energy: 0.42507074840501324
Energy: 0.4267154659985268
Energy: 0.4571855245780191
Energy: 0.43104136454459224
Energy: 0.4506417281201958
Energy: 0.4202180576055391
Energy: 0.43127123385759275
Energy: 0.4420802449409876
Energy: 0.3982913667848149
Energy: 0.39468806222837083
Energy: 0.3955843224554469
Energy: 0.3931967981958016
Energy: 0.39403414513999047
Energy: 0.39544826537523686
Energy: 0.3978611100445587
Energy: 0.33359182927076475
Energy: 0.39520197918423633
Energy: 0.3969349226778606
Energy: 0.38637017199068574
Energy: 0.39501710142866436
Energy: 0.39627428427106065
Energy: 0.3852311764542831
Energy: 0.42911380784846204
Energy: 0.3961948589446605
Energy: 0.38527400776017373
Energy: 0.39691001778104745
Energy: 0.4109106580357044
Energy: 0.4087195344724257
Energy: 0.4085096803343937
Energy: 0.40999296004057195
Energy: 0.40096899224607785
Energy: 0.40922564003721157
Energy: 0.41099643912863226
Energy: 0.40947165355142373
Energy: 0.40927835001451074
Energy: 0.41146737627829927
Energy: 0.4079473752635281
Energy: 0.40795208318750603
Energy: 0.4810967452012096
Energy: 0.40875055366179885
Energy: 0.40918469709271604
Energy: 0.4717871221095833
Energy: 0.41072705924495295
Energy: 0.4323570933715655
Energy: 0.4827131134510084
Energy: 0.40830506886434736
Energy: 0.4083057705347905
Energy: 0.4348856111638536
Energy: 0.4091017673879753
Energy: 0.4312989579821567
Energy: 0.4111614639293484
Energy: 0.40773265470088826
Energy: 0.408409870276759
Energy: 0.40897253156385743
Energy: 0.4016531538033862
Energy: 0.4081564849931726
Energy: 0.4375305173237798
Energy: 0.44552231247964913
Energy: 0.45704906135263035
Energy: 0.404671799238914
Energy: 0.42287845769767335
Energy: 0.5074104796885186
Energy: 0.46201887277783477
Energy: 0.41152416993620783
Energy: 0.4090020624061626
Energy: 0.4198110162833722
Energy: 0.4089222305662065
Energy: 0.4092711848969125
Energy: 0.42501847730987746
Energy: 0.4083409502564896
Energy: 0.4123315367499362
Energy: 0.4005628505794344
Energy: 0.4314636995085611
Energy: 0.4085126828104379
Energy: 0.4069595609375549
Energy: 0.4098840280820314
Energy: 0.408659980303704
Energy: 0.42023038035881227
Energy: 0.410525682476744
Energy: 0.40941535296898696
Energy: 0.4126631060537103
Energy: 0.3951891839512571
Energy: 0.39626136224478503
Energy: 0.3946419490036867
Energy: 0.39556996501349134
Energy: 0.39525599988420423
Energy: 0.4123291031252151
Energy: 0.39489422537236707
Energy: 0.3962179947783698
Energy: 0.3950573698287703
Energy: 0.396621947409125
Energy: 0.39443458226878436
Energy: 0.4124127948128353
Energy: 0.3933440887386134
Energy: 0.3943584216239478
Energy: 0.3921315528615337
Energy: 0.3953761804376623
Energy: 0.39479303065500354
Energy: 0.4350668639017927
Energy: 0.4296366137759368
Energy: 0.4317281300441648
Energy: 0.43566306607473615
Energy: 0.4186135072233306
Energy: 0.44357722358873625
Energy: 0.4268229256798947
Energy: 0.3947617055707419
Energy: 0.394942492149467
Energy: 0.4251600029857777
Energy: 0.3929364869012523
Energy: 0.4061072142558312
Energy: 0.49554418133633127
Energy: 0.4096050530612364
Energy: 0.4368835188609649
Energy: 0.44894111958954436
Energy: 0.4108070655208322
Energy: 0.419783059838093

minimum gb energy = 0.33359182927076475 eV
minimum distance =  3.24655903691587 Angstroms
sigma value = 57


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

Energy: 0.4653648937153295
Energy: 0.48084744992735773
Energy: 0.48898346575323076
Energy: 0.4002012415100263
Energy: 0.44329255657073074
Energy: 0.5350333048249262
Energy: 0.43415959800933374
Energy: 0.42348587033477997
Energy: 0.41688215183951566
Energy: 0.40054180109682014
Energy: 0.4533707307874631
Energy: 0.38187070478897234
Energy: 0.5187821986260837
Energy: 0.4346385619237637
Energy: 0.4345358066628972
Energy: 0.40157274036038765
Energy: 0.4344348487611632
Energy: 0.43378953803440234
Energy: 0.520756012658081
Energy: 0.4339561076379245
Energy: 0.4337316810310631
Energy: 0.42226473842359474
Energy: 0.43389408729132967
Energy: 0.40747978710633315
Energy: 0.502582762887146
Energy: 0.40246699817521175
Energy: 0.47909425735542344
Energy: 0.43032479385739936
Energy: 0.4123000067022899
Energy: 0.38121250082392055
Energy: 0.4521981777177963
Energy: 0.4020761170987936
Energy: 0.3811173984690345
Energy: 0.4760954940582144
Energy: 0.40440237721997385
Energy: 0.4034902363252764
Energy: 0.5334021094655619
Energy: 0.484280817967841
Energy: 0.48541623569430387
Energy: 0.4983719006596591
Energy: 0.5003144642313477
Energy: 0.4847589408823444
Energy: 0.4683700778244796
Energy: 0.5475724759015312
Energy: 0.5551837952312293
Energy: 0.43749612144428923
Energy: 0.5007605214764942
Energy: 0.5103489939889875
Energy: 0.5280082587803406
Energy: 0.5312999394661722
Energy: 0.49122581012201894
Energy: 0.5001115890158442
Energy: 0.5322488382694435
Energy: 0.4832062927688914
Energy: 0.5610349127860943
Energy: 0.4645921424442434
Energy: 0.4647091319190406
Energy: 0.5222760615892816
Energy: 0.46413896086166156
Energy: 0.46438413415726093
Energy: 0.5532964156272289
Energy: 0.44161870458081975
Energy: 0.5228342497434992
Energy: 0.5233216509368512
Energy: 0.45055903085004634
Energy: 0.5224971850586968
Energy: 0.3787392119010926
Energy: 0.528253850227561
Energy: 0.5280146045992457
Energy: 0.37584528118087884
Energy: 0.5279600402867439
Energy: 0.43182470675169937
Energy: 0.37833248149387216
Energy: 0.503199882691609
Energy: 0.39528958303010664
Energy: 0.37897523056741583
Energy: 0.5022228581608799
Energy: 0.45168215767491693
Energy: 0.4970552421909498
Energy: 0.4833822921878099
Energy: 0.48348194775058495
Energy: 0.5288147692671658
Energy: 0.4832373975729701
Energy: 0.48327034060655216
Energy: 0.5182467075179056
Energy: 0.4353362087946975
Energy: 0.45035131186200633
Energy: 0.5219948394467835
Energy: 0.4355936675201979
Energy: 0.4435021721650427
Energy: 0.5197160576107229
Energy: 0.4820171203868625
Energy: 0.4818627726985364
Energy: 0.4935793136860023
Energy: 0.48295497044132824
Energy: 0.4834191010811503
Energy: 0.5297414480909456
Energy: 0.4807712935790849
Energy: 0.4814409154302881
Energy: 0.4862944541291343
Energy: 0.48160953520151845
Energy: 0.48072748458092507
Energy: 0.5295875629607762
Energy: 0.4852256153916235
Energy: 0.4868864749877874
Energy: 0.4826806738178254
Energy: 0.4857318910762944
Energy: 0.48532831488650985
Energy: 0.5262165354128999
Energy: 0.4412609242805516
Energy: 0.44006541590049203
Energy: 0.47749403928398293
Energy: 0.4388341740727984
Energy: 0.43263326852648265
Energy: 0.5262801990504972
Energy: 0.4509180514746007
Energy: 0.5254257971976853
Energy: 0.38110453696256597
Energy: 0.4986294733262971
Energy: 0.41211121882256085
Energy: 0.5272873198676556
Energy: 0.3990807505018236
Energy: 0.3825481871059343
Energy: 0.383288702161485
Energy: 0.4247891466506475
Energy: 0.3816353797790382
Energy: 0.5704470809836589
Energy: 0.47973791257084153
Energy: 0.4493788594124097
Energy: 0.4321861956721973
Energy: 0.4649608616955897
Energy: 0.44936595367049464
Energy: 0.5195281574158139
Energy: 0.42859216593151295
Energy: 0.38040058029365936
Energy: 0.40066570892893016
Energy: 0.4226408383124496
Energy: 0.4073640484437524
Energy: 0.43381896171079515
Energy: 0.4517683327691624
Energy: 0.46295763606953855
Energy: 0.5029069866571875
Energy: 0.45138878864693754
Energy: 0.48794429052428406

minimum gb energy = 0.37584528118087884 eV
minimum distance =  3.15760173912219 Angstroms
sigma value = 17


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

Energy: 0.5509763740596596
Energy: 0.47677888307050004
Energy: 0.45656714469497134
Energy: 0.3843473981272762
Energy: 0.4149431215671127
Energy: 0.3680910116450657
Energy: 0.4142601098074986
Energy: 0.41729592903040824
Energy: 0.36861602077989386
Energy: 0.4389952615246158
Energy: 0.42918486300711756
Energy: 0.36743557314232034
Energy: 0.373562137271173
Energy: 0.3567419468094576
Energy: 0.3564519963481671
Energy: 0.4085467859872652
Energy: 0.3567550224186185
Energy: 0.3562642379074846
Energy: 0.44023458788729897
Energy: 0.3565068236533108
Energy: 0.35628440828593433
Energy: 0.4404011957913186
Energy: 0.3555131002239302
Energy: 0.3686681888221554
Energy: 0.44911476793041316
Energy: 0.34351252332009435
Energy: 0.3435067614077165
Energy: 0.4467764550404055
Energy: 0.34334366101309555
Energy: 0.34368304131601146
Energy: 0.38464711095656257
Energy: 0.3482081540032678
Energy: 0.34820573932269216
Energy: 0.33649588490390797
Energy: 0.3481086185919429
Energy: 0.33567913612978767
Energy: 0.35598557937225117
Energy: 0.405721785117426
Energy: 0.3357301321640927
Energy: 0.33652618715645216
Energy: 0.4064077283430487
Energy: 0.3358538809788271
Energy: 0.3718517738783672
Energy: 0.33626917758541847
Energy: 0.33626117687228224
Energy: 0.33618217708010156
Energy: 0.3368575486128139
Energy: 0.33679837207599495
Energy: 0.4065351294869134
Energy: 0.3356466345174962
Energy: 0.33540984029072607
Energy: 0.4065691246386578
Energy: 0.33583065560862446
Energy: 0.3354420065594699
Energy: 0.4050938610877727
Energy: 0.34828270212791496
Energy: 0.34806693709809894
Energy: 0.37897518958637055
Energy: 0.3484294316775325
Energy: 0.3483336090968433
Energy: 0.35863742720839403
Energy: 0.3439922996616927
Energy: 0.34373150301127753
Energy: 0.3429333937839899
Energy: 0.3437575985152542
Energy: 0.34341954551561915
Energy: 0.44789179139051793
Energy: 0.4412467008883459
Energy: 0.41646589999082223
Energy: 0.348612238887161
Energy: 0.45632703559762394
Energy: 0.36896965630141826
Energy: 0.4211003300503159
Energy: 0.4083328456849826
Energy: 0.3929939669691708
Energy: 0.3486950959016553
Energy: 0.4085869116038292
Energy: 0.39322034633519304
Energy: 0.4617836390317653
Energy: 0.4287772064739801
Energy: 0.3574480245138611
Energy: 0.43836863285044025
Energy: 0.4003938678334244
Energy: 0.358284128729744
Energy: 0.41161729114061735
Energy: 0.4137818801371423
Energy: 0.40798973578902864
Energy: 0.4172720919901366
Energy: 0.4143358836455192
Energy: 0.4084178354722661
Energy: 0.4191014426360629
Energy: 0.43870506988187774
Energy: 0.3688988246789858
Energy: 0.3948332134699449
Energy: 0.4387537274413967
Energy: 0.4171100900179914
Energy: 0.4567970578940224
Energy: 0.39396308213930564
Energy: 0.4649559922539659
Energy: 0.35811775662548134
Energy: 0.408003629070842
Energy: 0.45100836464561245

minimum gb energy = 0.33540984029072607 eV
minimum distance =  3.18123761963327 Angstroms
sigma value = 17


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

Energy: 0.3745850661322472
Energy: 0.4264974213378294
Energy: 0.3617111198954758
Energy: 0.3321057598246183
Energy: 0.500628179229027
Energy: 0.3615072406561982
Energy: 0.399045756143559
Energy: 0.36802676703806253
Energy: 0.3166873505013535
Energy: 0.35953671846629454
Energy: 0.35889934307432036
Energy: 0.3343607792894731
Energy: 0.5160669619624692
Energy: 0.31128521706258633
Energy: 0.3274270207087397
Energy: 0.35732165159055
Energy: 0.3114832718199277
Energy: 0.3274441977617418
Energy: 0.4367182318957135
Energy: 0.3282121221878
Energy: 0.32786234557789584
Energy: 0.437182052471833
Energy: 0.3081348317692386
Energy: 0.3273680636373704
Energy: 0.39124266229149496
Energy: 0.31634050548299175
Energy: 0.3167918635266472
Energy: 0.3646343992270896
Energy: 0.3163173784869317
Energy: 0.31706173364972523
Energy: 0.3682355289596611
Energy: 0.3165898025171087
Energy: 0.30780727834454763
Energy: 0.30958139100573767
Energy: 0.3166391976138148
Energy: 0.3081459000983801
Energy: 0.3710753812601896
Energy: 0.3873708413901834
Energy: 0.34702140452156266
Energy: 0.3082022970414064
Energy: 0.3877571430544516
Energy: 0.307370391489008
Energy: 0.3336981121523359
Energy: 0.3022614713930961
Energy: 0.30451016390078706
Energy: 0.3052600327099857
Energy: 0.30270506315898027
Energy: 0.3054048996976741
Energy: 0.3696072038266225
Energy: 0.30534626149839755
Energy: 0.30501153000005266
Energy: 0.3701168889966328
Energy: 0.30880204010604956
Energy: 0.3049071116586842
Energy: 0.37191107835737164
Energy: 0.3026821900772141
Energy: 0.30236766127138853
Energy: 0.3694778832572186
Energy: 0.3028732531363057
Energy: 0.302326513544093
Energy: 0.3559156033965208
Energy: 0.30286333598826737
Energy: 0.3025662996574722
Energy: 0.30309532230771724
Energy: 0.36955898637655654
Energy: 0.3025591670321964
Energy: 0.36980079331344545
Energy: 0.3691165462822451
Energy: 0.3046246911820863
Energy: 0.3409415738215675
Energy: 0.36920677511618893
Energy: 0.30471102715356263
Energy: 0.35607143535363495
Energy: 0.30446827032412294
Energy: 0.30424370412701546
Energy: 0.3055165924305067
Energy: 0.31396932752481155
Energy: 0.3043822885476875
Energy: 0.3862611879228296
Energy: 0.3074114596330302
Energy: 0.30731629965390417
Energy: 0.3868684853290399
Energy: 0.31029689237850455
Energy: 0.38702518200580016
Energy: 0.386090785658115
Energy: 0.3110299002858674
Energy: 0.311016869647197
Energy: 0.3172307579327719
Energy: 0.30688929544882043
Energy: 0.3170196332978798
Energy: 0.38210078275343895
Energy: 0.31698035510689165
Energy: 0.3173253491960859
Energy: 0.3162859960045478
Energy: 0.39532634782562165
Energy: 0.3171159716523878
Energy: 0.36926696585854246
Energy: 0.35727277289841847
Energy: 0.35761582690079485
Energy: 0.3182101128570023
Energy: 0.3958014006786108
Energy: 0.3198574794194483
Energy: 0.3929001220215057
Energy: 0.35738729516699863
Energy: 0.3508772470515963
Energy: 0.33637183361575085
Energy: 0.3579379593538755
Energy: 0.3197125713183454
Energy: 0.48379180864625637
Energy: 0.35987506971918387
Energy: 0.331916938762562
Energy: 0.3592683395724015
Energy: 0.32034249079307
Energy: 0.3169947001953108
Energy: 0.5179981731123848
Energy: 0.33305194908746055
Energy: 0.33287079219986093
Energy: 0.35988356864547105
Energy: 0.333168606878648
Energy: 0.3690626768643809
Energy: 0.4825605414320061
Energy: 0.35192447644359537
Energy: 0.33176366861407625
Energy: 0.3633926149063804
Energy: 0.3516658739996174
Energy: 0.33280175800186196
Energy: 0.3732408389171948
Energy: 0.3687191448780953
Energy: 0.3882801279971944
Energy: 0.33183856744132323
Energy: 0.3680354047182339
Energy: 0.3311198230275491
Energy: 0.37481091990412196
Energy: 0.3618797778955893
Energy: 0.36159915335240234
Energy: 0.3108569799093769
Energy: 0.35938404891347736
Energy: 0.3431385508355526
Energy: 0.5235402421725498
Energy: 0.3292259958442215
Energy: 0.3318570299332494
Energy: 0.35764013851263515
Energy: 0.3080394602539836
Energy: 0.3507391189091943
Energy: 0.43547506167111727
Energy: 0.3114490891670281
Energy: 0.3285226298624691
Energy: 0.4042136004587403
Energy: 0.31187477307893
Energy: 0.32828029195698605
Energy: 0.43674439931920195
Energy: 0.31989806267031107
Energy: 0.3201269028352065
Energy: 0.35654126555677124
Energy: 0.3197113002159444
Energy: 0.31685704675471693
Energy: 0.36450839495921544
Energy: 0.31649728802241595
Energy: 0.31683223704989455
Energy: 0.3095163903353686
Energy: 0.3162652747484847
Energy: 0.3186852666108327
Energy: 0.36456525596028055
Energy: 0.3566612354892228
Energy: 0.35369509962479206
Energy: 0.33863315906925107
Energy: 0.38774123477197603
Energy: 0.31668015991463533
Energy: 0.33417081934612347
Energy: 0.30519803085489117
Energy: 0.3049827837975134
Energy: 0.3048706452840357
Energy: 0.32866460081158544
Energy: 0.3047286639200826
Energy: 0.36912319787992137
Energy: 0.3023366806131521
Energy: 0.30458221039616906
Energy: 0.36913843327930096
Energy: 0.3027873292065145
Energy: 0.30433276380127844
Energy: 0.37000199793588273
Energy: 0.30393141589031536
Energy: 0.3038959554273819
Energy: 0.3696016122833205
Energy: 0.3038508305988267
Energy: 0.30391835736610134
Energy: 0.3355237633994782
Energy: 0.30439539203415794
Energy: 0.3045767646952553
Energy: 0.3053202220624214
Energy: 0.30329884378908223
Energy: 0.30466142123226586
Energy: 0.3727595256866326
Energy: 0.36922447285556403
Energy: 0.3694359931502091
Energy: 0.3463965604297108
Energy: 0.3696265550373797
Energy: 0.3689511138429339
Energy: 0.35302483978950183
Energy: 0.3102219227885524
Energy: 0.30752233692229153
Energy: 0.30619165394421427
Energy: 0.3089342754204933
Energy: 0.3056455810733079
Energy: 0.3875180582701042
Energy: 0.3061258072776426
Energy: 0.3061348982542843
Energy: 0.3874627100592836
Energy: 0.30583985124500257
Energy: 0.30593723902080205
Energy: 0.38655686101304143
Energy: 0.306918289244626
Energy: 0.31716516674247536
Energy: 0.38663927722767666
Energy: 0.307410866171781
Energy: 0.31713614797693507
Energy: 0.3525444533956684
Energy: 0.317167099054526
Energy: 0.3170345403381139
Energy: 0.31653163409991053
Energy: 0.31839107475357464
Energy: 0.3168459930956777
Energy: 0.36884854144629003
Energy: 0.35900028777838056
Energy: 0.3164270802478163
Energy: 0.3165125076535891
Energy: 0.4362791673807245
Energy: 0.3332903339582959
Energy: 0.36900882719079287
Energy: 0.3715075722602797
Energy: 0.33006842913418105
Energy: 0.32088788300000226
Energy: 0.35768517857381776
Energy: 0.32998451042763643
Energy: 0.38627985233418766
Energy: 0.35226298394437006
Energy: 0.35271605018880414
Energy: 0.3193112322737666
Energy: 0.35978960062611487
Energy: 0.33437233545724565
Energy: 0.4856908590158911
Energy: 0.32334125937707636
Energy: 0.37708290412004697
Energy: 0.3758881282107916
Energy: 0.3238087279800873
Energy: 0.3596244789358326
Energy: 0.5238564761749116
Energy: 0.3447377101892006
Energy: 0.31971156462301004
Energy: 0.3575995618783671
Energy: 0.3400327953782384
Energy: 0.35064465468837563
Energy: 0.374161896544021
Energy: 0.3573887921964449
Energy: 0.3513062215988089
Energy: 0.31107037894010464
Energy: 0.35754076834898596
Energy: 0.3431731433594218

minimum gb energy = 0.3022614713930961 eV
minimum distance =  3.26640673270081 Angstroms
sigma value = 57


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

Energy: 0.33632583898055163
Energy: 0.3726110988382104
Energy: 0.33139545812510846
Energy: 0.288196095026189
Energy: 0.43328770740519407
Energy: 0.3318221538818318
Energy: 0.37953799284831174
Energy: 0.29698336631529987
Energy: 0.29364235728392263
Energy: 0.3305972748726477
Energy: 0.3368219834988281
Energy: 0.3086281985442074
Energy: 0.47884681045925
Energy: 0.28649895301569434
Energy: 0.28637710938970407
Energy: 0.32602364493499336
Energy: 0.2864448919657298
Energy: 0.30193063031511447
Energy: 0.411944877731389
Energy: 0.2863280105362544
Energy: 0.30217306929615684
Energy: 0.41237043299152504
Energy: 0.2832768466642348
Energy: 0.30169946900037775
Energy: 0.36252125068385666
Energy: 0.2972922534598611
Energy: 0.29317209071296085
Energy: 0.36816957908819087
Energy: 0.2969303711380415
Energy: 0.2930229546440007
Energy: 0.33012039751444117
Energy: 0.2929413713338859
Energy: 0.28484980576865354
Energy: 0.2788624078872994
Energy: 0.29268151762055167
Energy: 0.28532768532273056
Energy: 0.34259601918724525
Energy: 0.33033464480322877
Energy: 0.33141491349600294
Energy: 0.28182949711741295
Energy: 0.3673713551821907
Energy: 0.2818487550421045
Energy: 0.3430333258987242
Energy: 0.2767345986500638
Energy: 0.27671656022537827
Energy: 0.2882878539177131
Energy: 0.2765327093578462
Energy: 0.2810608535051597
Energy: 0.344205391197723
Energy: 0.28202830302803494
Energy: 0.2801218515204558
Energy: 0.3449116569941621
Energy: 0.2814752523229311
Energy: 0.3142335345925746
Energy: 0.3431110325997138
Energy: 0.2762847342895381
Energy: 0.276386306185037
Energy: 0.34301140647616796
Energy: 0.2760458323834952
Energy: 0.27623320847607524
Energy: 0.3349476888129895
Energy: 0.27449540516362736
Energy: 0.2740646834610321
Energy: 0.2744906331052114
Energy: 0.33251991088813754
Energy: 0.2744447580628294
Energy: 0.3446086120389591
Energy: 0.3325185576595474
Energy: 0.3072048893480437
Energy: 0.2758862902195678
Energy: 0.33444691779367514
Energy: 0.27780239902336445
Energy: 0.35048539811440416
Energy: 0.3234060688977132
Energy: 0.27688601841444993
Energy: 0.27550367270197185
Energy: 0.32276995414221266
Energy: 0.2747677075576735
Energy: 0.332879033442218
Energy: 0.27687477507240793
Energy: 0.2765568709985466
Energy: 0.3336985247149415
Energy: 0.3069804857405452
Energy: 0.3324490916182219
Energy: 0.3324666260797978
Energy: 0.2749758174257952
Energy: 0.274722875868613
Energy: 0.33482191229491765
Energy: 0.2751542262406796
Energy: 0.2743412448355656
Energy: 0.35022370659922375
Energy: 0.3138989672139354
Energy: 0.278715281377415
Energy: 0.27527542196871985
Energy: 0.3431239852520339
Energy: 0.278633976990681
Energy: 0.33328429798053594
Energy: 0.3429275191272314
Energy: 0.279626448503662
Energy: 0.27584870700578484
Energy: 0.3459762881283454
Energy: 0.28021323127214703
Energy: 0.33354866293187185
Energy: 0.27954984965873275
Energy: 0.2796870225011146
Energy: 0.3487902154442705
Energy: 0.2799628355216267
Energy: 0.27994716267313546
Energy: 0.36550991417387296
Energy: 0.28260517036256233
Energy: 0.28234203960350746
Energy: 0.3662166520662912
Energy: 0.2862560666602677
Energy: 0.29727766080999607
Energy: 0.36579315380398214
Energy: 0.28770138469541673
Energy: 0.2877195894781992
Energy: 0.2954723746876146
Energy: 0.288819405569677
Energy: 0.2953428542878711
Energy: 0.4155269747894159
Energy: 0.3032533758182887
Energy: 0.29280968207144076
Energy: 0.29527495936963516
Energy: 0.3346427497357646
Energy: 0.2964457423776691
Energy: 0.33285155374194986
Energy: 0.3259504207017346
Energy: 0.2945959710724833
Energy: 0.2830733307322559
Energy: 0.32661627735828397
Energy: 0.29491535071313174
Energy: 0.3519363575473122
Energy: 0.3219830253408917
Energy: 0.32174450693143297
Energy: 0.34272007644723723
Energy: 0.33331220928637645
Energy: 0.32148487183248803
Energy: 0.4512435954849362
Energy: 0.29530332388119107
Energy: 0.29267959682513256
Energy: 0.2925103668904511
Energy: 0.30362460443017525
Energy: 0.2929231709309957
Energy: 0.4804748687012342
Energy: 0.297517005132826
Energy: 0.2969750168574325
Energy: 0.3372168279393952
Energy: 0.297643391671692
Energy: 0.33351381547209297
Energy: 0.48647523347637556
Energy: 0.32282788716679356
Energy: 0.32381570498680146
Energy: 0.3305386885240856
Energy: 0.3299812146854297
Energy: 0.30892367104284085
Energy: 0.3354208199024917
Energy: 0.33795218569242164
Energy: 0.3050441289762771
Energy: 0.28897146543246327
Energy: 0.33762504360706236
Energy: 0.30509086183508977

minimum gb energy = 0.2740646834610321 eV
minimum distance =  3.2837954323131 Angstroms
sigma value = 43


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

Energy: 0.2825504722361179
Energy: 0.312029141985761
Energy: 0.29199253069171144
Energy: 0.2479291380156346
Energy: 0.34639380016550586
Energy: 0.2783669764871191
Energy: 0.3894728995191063
Energy: 0.2372667984344416
Energy: 0.2374860071300036
Energy: 0.2638762991388791
Energy: 0.23728665709948393
Energy: 0.23779064252811935
Energy: 0.40306616256756467
Energy: 0.23829587775706837
Energy: 0.24263226754343126
Energy: 0.26018398306921975
Energy: 0.23809569392428917
Energy: 0.24241336669071648
Energy: 0.35650413726057534
Energy: 0.2427595558145723
Energy: 0.2425848534968654
Energy: 0.25394386689402254
Energy: 0.26285724788945136
Energy: 0.24789602955986273
Energy: 0.3183018056302703
Energy: 0.23734902050181286
Energy: 0.237499201502081
Energy: 0.24085539355664617
Energy: 0.23877871573698042
Energy: 0.2376814176703114
Energy: 0.2748877731408755
Energy: 0.239200716043245
Energy: 0.23643811873699055
Energy: 0.2642202345437155
Energy: 0.23818105727677513
Energy: 0.2529875997573269
Energy: 0.35684683958519353
Energy: 0.2768870789654884
Energy: 0.23820448472429132
Energy: 0.23043486552604603
Energy: 0.2768943847694224
Energy: 0.23066916536063348
Energy: 0.356444059096864
Energy: 0.22879596605992397
Energy: 0.2297243381466671
Energy: 0.2513080055969996
Energy: 0.22883947946531202
Energy: 0.22936617743160034
Energy: 0.29812247332735087
Energy: 0.22971095484401916
Energy: 0.23007979120075825
Energy: 0.2971736673041775
Energy: 0.22494963406414345
Energy: 0.23058157713003644
Energy: 0.28897602086475715
Energy: 0.22607251288947566
Energy: 0.22621160348037872
Energy: 0.2962331120042131
Energy: 0.2263885348343046
Energy: 0.22630200597747746
Energy: 0.27268947315574493
Energy: 0.22523833573282323
Energy: 0.22571284599755154
Energy: 0.22507358861190327
Energy: 0.2843897935611373
Energy: 0.22520445040467987
Energy: 0.29689431574939923
Energy: 0.28426153270500976
Energy: 0.2834240654682071
Energy: 0.22685959876884326
Energy: 0.2844545837874357
Energy: 0.22649064996236462
Energy: 0.29702784613683175
Energy: 0.2546724779630871
Energy: 0.2566429988865393
Energy: 0.24804538915402483
Energy: 0.2547305722129505
Energy: 0.25691057499946673
Energy: 0.2770791304320482
Energy: 0.18508461618316754
Energy: 0.27348138347304063
Energy: 0.2778682347363972
Energy: 0.22341336038524576
Energy: 0.2735463858280281
Energy: 0.27682938552116343
Energy: 0.22265186261381045
Energy: 0.2227333186253331
Energy: 0.2775327737248512
Energy: 0.22286047306113568
Energy: 0.22320916515209602
Energy: 0.2742825494072581
Energy: 0.2741226478734627
Energy: 0.22260110141603465
Energy: 0.22326711249303138
Energy: 0.2734207177420239
Energy: 0.2224804753778331
Energy: 0.27847238237465705
Energy: 0.2735789442272117
Energy: 0.2687449537644371
Energy: 0.2243507851915211
Energy: 0.27346769466146637
Energy: 0.2235958652387107
Energy: 0.2733980373457003
Energy: 0.2520790606680079
Energy: 0.22360950372778343
Energy: 0.26719416806926255
Energy: 0.2518574965227585
Energy: 0.22345932153200326
Energy: 0.2733534890753897
Energy: 0.24912102714757658
Energy: 0.2699946625967276
Energy: 0.2740954497785457
Energy: 0.27718870534322104
Energy: 0.27049832648649025
Energy: 0.27334949290479293
Energy: 0.25303221491626754
Energy: 0.22582422859016757
Energy: 0.24019988536022432
Energy: 0.2529605075483776
Energy: 0.2256006747651327
Energy: 0.28584687850994067
Energy: 0.27702463228852675
Energy: 0.2531049060824398
Energy: 0.22631884887203943
Energy: 0.2768925075553912
Energy: 0.22551505235425254
Energy: 0.2742855532515815
Energy: 0.277110190436429
Energy: 0.2231123142849789
Energy: 0.2235551277189892
Energy: 0.2769045994218111
Energy: 0.22312304443562433
Energy: 0.28423879270915536
Energy: 0.22306197306741452
Energy: 0.22304839442023186
Energy: 0.283220590954555
Energy: 0.2232707704540083
Energy: 0.22337065997993397
Energy: 0.28458533646661255
Energy: 0.22931326463030838
Energy: 0.28044680892596635
Energy: 0.2852973647335934
Energy: 0.22893283364332578
Energy: 0.2522183610877767
Energy: 0.31792900848533734
Energy: 0.2582030399723027
Energy: 0.26345508196922485
Energy: 0.26365748733548033
Energy: 0.24323737194575706
Energy: 0.263458307180763
Energy: 0.3178226296482927
Energy: 0.2971580633788132
Energy: 0.2616446938852449
Energy: 0.22560910617723612
Energy: 0.2969126045771503
Energy: 0.22518538541236616
Energy: 0.2739490873581665
Energy: 0.2303925609620821
Energy: 0.23089121947133637
Energy: 0.22873778008677811
Energy: 0.29687444881499864
Energy: 0.2293663823197748
Energy: 0.29797681034968354
Energy: 0.2301892302669378
Energy: 0.2305144434809841
Energy: 0.268056895023734
Energy: 0.23029700737206948
Energy: 0.23073495518935633
Energy: 0.31812221808557317
Energy: 0.23586765700229592
Energy: 0.23749479286254577
Energy: 0.28155033702490206
Energy: 0.23656083971667627
Energy: 0.23747110657930237
Energy: 0.3882715403728196
Energy: 0.23376924342314426
Energy: 0.23594071206307216
Energy: 0.23802180687047142
Energy: 0.2335481762089337
Energy: 0.23563446111484446
Energy: 0.3868436475402146
Energy: 0.24267863253144095
Energy: 0.28307252362447555
Energy: 0.23962941962457293
Energy: 0.2428787760238305
Energy: 0.2398677111285838
Energy: 0.27824452653129883
Energy: 0.2568996746913924
Energy: 0.24611637063902955
Energy: 0.25429961689461106
Energy: 0.2564769690684994
Energy: 0.240972807657136
Energy: 0.3254580831711106
Energy: 0.2647257232153989
Energy: 0.25726725272494977
Energy: 0.28591483064025475
Energy: 0.26475138930248526
Energy: 0.2568349707438382
Energy: 0.3878831783618628
Energy: 0.25252161323049327
Energy: 0.25223614074771894
Energy: 0.23855152090228482
Energy: 0.27295134646622204
Energy: 0.2670282695291273
Energy: 0.40311698665658563
Energy: 0.24609787371089933
Energy: 0.25255053848837167
Energy: 0.27417311726532867
Energy: 0.24592377082129166
Energy: 0.2522806550347477
Energy: 0.3894729000720316
Energy: 0.2648659291718821
Energy: 0.2570277741358729
Energy: 0.256611105812664
Energy: 0.26454954975131295
Energy: 0.2380506596991047

minimum gb energy = 0.18508461618316754 eV
minimum distance =  3.29388330110197 Angstroms
sigma value = 81


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

Energy: 0.18900842185513586
Energy: 0.20761513690462385
Energy: 0.004464193918420917
Energy: 0.005177560236373478
Energy: 0.30934350994831983
Energy: 0.18919694057088315
Energy: 0.20742087361293093
Energy: 0.3460477848618502
Energy: 0.3096061296814071
Energy: 0.37377967300955
Energy: 0.3097816796770801
Energy: 0.3461083312976104
Energy: 0.36184479258071184
Energy: 0.004450385021361875
Energy: 0.0045264063037410455
Energy: 0.37409309028817683
Energy: 0.004463733415844193
Energy: 0.023011266727498817
Energy: 0.36753525033235857
Energy: 0.00452302754637986
Energy: 0.004493679816800973
Energy: 0.3735233202465382
Energy: 0.004463075952958464
Energy: 0.022871917884814887
Energy: 0.022616771469146923
Energy: 0.353815424887382
Energy: 0.35151567236975023
Energy: 0.023072312390147974
Energy: 0.3518939982913963
Energy: 0.3536973771745303
Energy: 0.004783747263987923
Energy: 0.3717761588057923
Energy: 0.004478158099129753
Energy: 0.004358719924782761
Energy: 0.3717563576323031
Energy: 0.0045048442077647915
Energy: 0.3842023536370593
Energy: 0.3464855996930578
Energy: 0.3461859360258768
Energy: 0.39040032279558934
Energy: 0.3463353241054777
Energy: 0.3715391693764715
Energy: 0.38226070462579337
Energy: 0.004480238423454481
Energy: 0.004496552601848428
Energy: 0.39027292723023943
Energy: 0.004463097115959892
Energy: 0.004529600160884986
Energy: 0.3479688043546192
Energy: 0.004511299280849362
Energy: 0.02280462833406867
Energy: 0.3581792018217871
Energy: 0.0044673590297319935
Energy: 0.023203249157453223
Energy: 0.1890589642334675
Energy: 0.3538914736301818
Energy: 0.3159048338907859
Energy: 0.004351736076872622
Energy: 0.3266617934706176
Energy: 0.35717072445950887

minimum gb energy = 0.004351736076872622 eV
minimum distance =  3.32610588525213 Angstroms
sigma value = 3


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

Energy: 0.28603446475698974
Energy: 0.29619254305251286
Energy: 0.28193824638007664
Energy: 0.2659147149022295
Energy: 0.2831814778809429
Energy: 0.26499096257465427
Energy: 0.29468576251429546
Energy: 0.28634557988819714
Energy: 0.28733623593380186
Energy: 0.2859597347988932
Energy: 0.28897448423507294
Energy: 0.28701278314313994
Energy: 0.3002815261557078
Energy: 0.27215311136457737
Energy: 0.2723240098720408
Energy: 0.28845134223274527
Energy: 0.2729273183272795
Energy: 0.28204311426176354
Energy: 0.2890414516277386
Energy: 0.272556015881453
Energy: 0.2725057090997706
Energy: 0.285480642498504
Energy: 0.27163313880267353
Energy: 0.2813453217784515
Energy: 0.2745057267445394
Energy: 0.28691048763949134
Energy: 0.2873471468274401
Energy: 0.27445842422548494
Energy: 0.2877929396780977
Energy: 0.28721197359868306
Energy: 0.27329874527661985
Energy: 0.2879851036525846
Energy: 0.2811851901306337
Energy: 0.24592881993173293
Energy: 0.28810419649349955
Energy: 0.26776498300450446
Energy: 0.28897027925443647
Energy: 0.2809103301137127
Energy: 0.2813797840503471
Energy: 0.2863971710427004
Energy: 0.2831104160221774
Energy: 0.28878164264139
Energy: 0.28871154418540357
Energy: 0.27442174936705804
Energy: 0.2749024220340983
Energy: 0.2859132819964407
Energy: 0.26203734931127526
Energy: 0.2752015381295383
Energy: 0.29220142865971926
Energy: 0.274811612253172
Energy: 0.2841838988078221
Energy: 0.2912742318155592
Energy: 0.2823191371593846
Energy: 0.284672310257319
Energy: 0.28817542408402763
Energy: 0.2711211530956548
Energy: 0.27565677546524037
Energy: 0.28806989299173097
Energy: 0.27177609140723175
Energy: 0.273964540076594
Energy: 0.2775855751504273
Energy: 0.2795532131748086
Energy: 0.2806181385279716
Energy: 0.24190230332489696
Energy: 0.2828204985098358
Energy: 0.2683000269064621
Energy: 0.256344441327182
Energy: 0.2839558210168009
Energy: 0.28087358134766494
Energy: 0.2562511343409056
Energy: 0.285630785751907
Energy: 0.25627524079477365
Energy: 0.2571354510888125
Energy: 0.2635381241952907
Energy: 0.2729098505856652
Energy: 0.2571727871078623
Energy: 0.23829643006948714
Energy: 0.2733148437219551
Energy: 0.27745476547557407
Energy: 0.28423646276256553
Energy: 0.2727080621162151
Energy: 0.2649812997412934
Energy: 0.2584662441165443
Energy: 0.27452247527940565
Energy: 0.2771611901786504
Energy: 0.24575867545653252
Energy: 0.24569032257084406
Energy: 0.27714856020769396
Energy: 0.2461198547475843
Energy: 0.2460307248253812
Energy: 0.2769563650958856
Energy: 0.2667283184934023
Energy: 0.2671614082058448
Energy: 0.2674606791702357
Energy: 0.2743531451274763
Energy: 0.2672254802776991
Energy: 0.24034254659171916
Energy: 0.2695648772714836
Energy: 0.2688675356265228
Energy: 0.24027093899686264
Energy: 0.26715814792280007
Energy: 0.24024753531965584
Energy: 0.2409089043603937
Energy: 0.26581176642583915
Energy: 0.2660873469374032
Energy: 0.24100066276194684
Energy: 0.24199538424684228
Energy: 0.26616394524948267
Energy: 0.27359680200653747
Energy: 0.27436395406766306
Energy: 0.2655454217693594
Energy: 0.24180498440292808
Energy: 0.25043041406722216
Energy: 0.2657643137182453
Energy: 0.27634413185443146
Energy: 0.24025236909149575
Energy: 0.24004476370448224
Energy: 0.27418464855573693
Energy: 0.24057605046157254
Energy: 0.24038028933449562
Energy: 0.2759206482957061
Energy: 0.2667849195916102
Energy: 0.26945457694732367
Energy: 0.2751240903500256
Energy: 0.27785904963603364
Energy: 0.2686863914991306
Energy: 0.2461046152027483
Energy: 0.26665189986002424
Energy: 0.2691576570667867
Energy: 0.24601297859534926
Energy: 0.26752702826095676
Energy: 0.24569293824871852
Energy: 0.24623528811753548
Energy: 0.2734009277495628
Energy: 0.27354881935891345
Energy: 0.24621540533925915
Energy: 0.2735865009733628
Energy: 0.2733760998482495
Energy: 0.27741521365121136
Energy: 0.25721214644040813
Energy: 0.2726790854625581
Energy: 0.24126311826092844
Energy: 0.2565265771273156
Energy: 0.26759315611373
Energy: 0.2859565981017517
Energy: 0.2563792129730513
Energy: 0.2566842463116477
Energy: 0.28645925973327335
Energy: 0.2566759159193726
Energy: 0.25664089774488236
Energy: 0.28533942817335456
Energy: 0.2737064429519017
Energy: 0.27400371779462973
Energy: 0.2835978802186786
Energy: 0.2625977068061496
Energy: 0.28099231948972975
Energy: 0.27223789033809975
Energy: 0.2736782613783169
Energy: 0.2737198300860407
Energy: 0.27206616287972446
Energy: 0.284427820353256
Energy: 0.27580576858062444
Energy: 0.26089200077971714
Energy: 0.28977177707938356
Energy: 0.289674450494019
Energy: 0.26123530019001584
Energy: 0.29046605170895423
Energy: 0.28949280524941473
Energy: 0.27695314348935474
Energy: 0.28624644521301207
Energy: 0.28301889835973765
Energy: 0.24322527280937714
Energy: 0.2859920468077085
Energy: 0.26847694269460703
Energy: 0.28230200279153767
Energy: 0.2863097819734483
Energy: 0.2897270744171314
Energy: 0.28186894823404474
Energy: 0.2885162122156508
Energy: 0.2888771734943577
Energy: 0.2863459821332166
Energy: 0.2748534134005467
Energy: 0.27511131837206776
Energy: 0.2865241963666809
Energy: 0.2609787514278529
Energy: 0.2749153068217565
Energy: 0.30086059247625263
Energy: 0.2756324264779003
Energy: 0.28834292095685166
Energy: 0.2884674409558648
Energy: 0.26151535295747186
Energy: 0.2873966023473435
Energy: 0.2690927374442007
Energy: 0.2871487276675093
Energy: 0.28609973641110464
Energy: 0.2689844604557188
Energy: 0.2871583899739559
Energy: 0.2773243941222539

minimum gb energy = 0.23829643006948714 eV
minimum distance =  3.20553566051181 Angstroms
sigma value = 67


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

Energy: 0.3570235325631447
Energy: 0.3530198740612441
Energy: 0.3498304098883362
Energy: 0.3232812271136767
Energy: 0.3494491505542403
Energy: 0.3488691941711255
Energy: 0.3575264039642506
Energy: 0.34845044946941994
Energy: 0.34687537202976204
Energy: 0.35169137212901014
Energy: 0.3514066729442476
Energy: 0.34989468454702255
Energy: 0.37048455194462204
Energy: 0.3401256673237714
Energy: 0.3415363022733758
Energy: 0.3487564888826682
Energy: 0.3402764746624436
Energy: 0.34154088915467623
Energy: 0.35429968787360755
Energy: 0.3416946158345871
Energy: 0.3418848402145374
Energy: 0.3501554819911692
Energy: 0.3440943440289753
Energy: 0.34196387185951965
Energy: 0.3566696388502834
Energy: 0.35286742784311703
Energy: 0.34674935810090063
Energy: 0.35172657798309837
Energy: 0.3514561100571673
Energy: 0.34645589242925423
Energy: 0.3384358851327602
Energy: 0.3456387916731991
Energy: 0.3448678674248295
Energy: 0.3323266052606672
Energy: 0.344861877171939
Energy: 0.34466372137004536
Energy: 0.35133221743803167
Energy: 0.35417675063328785
Energy: 0.3467346812890147
Energy: 0.34962856382227253
Energy: 0.35287677609255913
Energy: 0.3500955612035682
Energy: 0.35168799793607847
Energy: 0.3410006084829178
Energy: 0.340561752337004
Energy: 0.34704581309784976
Energy: 0.32205741792477405
Energy: 0.34921282193651443
Energy: 0.3509901659103681
Energy: 0.3488335850375746
Energy: 0.349165438766688
Energy: 0.35146164238435695
Energy: 0.34883875461529534
Energy: 0.3535003223858466
Energy: 0.35136153975628204
Energy: 0.33676317058649535
Energy: 0.33775401051800724
Energy: 0.35137135866967506
Energy: 0.33621736975376515
Energy: 0.3387683725638304
Energy: 0.34715853984109396
Energy: 0.3447651394130857
Energy: 0.34442077526623105
Energy: 0.32388378526396056
Energy: 0.3467093096711607
Energy: 0.3443867513993468
Energy: 0.32282849756283555
Energy: 0.34649011106708405
Energy: 0.34551776882850704
Energy: 0.3229094276830951
Energy: 0.3380709346955148
Energy: 0.3237054070768203
Energy: 0.32311237595380654
Energy: 0.34568823685253647
Energy: 0.3425702199763377
Energy: 0.323014306613981
Energy: 0.32484220135629893
Energy: 0.33323034235886034
Energy: 0.34542093634511983
Energy: 0.34142788949697017
Energy: 0.342548947206341
Energy: 0.3237981013092462
Energy: 0.3466964033238387
Energy: 0.34235818366444454
Energy: 0.34622272453668645
Energy: 0.3250929375134025
Energy: 0.32431221802550686
Energy: 0.3465799740165454
Energy: 0.32425044696363353
Energy: 0.3235492491218804
Energy: 0.3464424990969232
Energy: 0.34484179352289845
Energy: 0.34572856520586737
Energy: 0.3461447393603901
Energy: 0.3493246985514208
Energy: 0.345228165855238
Energy: 0.33416999817583515
Energy: 0.3396108938762656
Energy: 0.3412964507129623
Energy: 0.33424816436435506
Energy: 0.3206870923531947
Energy: 0.33797378954924373
Energy: 0.3337856889204746
Energy: 0.35372648566221065
Energy: 0.3540999286089201
Energy: 0.33381186903837107
Energy: 0.35339355506401693
Energy: 0.3506223643747979
Energy: 0.3401435623888075
Energy: 0.3488129779542237
Energy: 0.34581123489117865
Energy: 0.32595649215496536
Energy: 0.34810184516838405
Energy: 0.3464042258330509
Energy: 0.3498663239216636
Energy: 0.3514034933445312
Energy: 0.35440378730947364
Energy: 0.34946864469287603
Energy: 0.35056780213793287
Energy: 0.35111804825738674
Energy: 0.35173998531297856
Energy: 0.3486682204054405
Energy: 0.34835216561982946
Energy: 0.35215325002966275
Energy: 0.34205372045400156
Energy: 0.3484575393985483
Energy: 0.3707973728259512
Energy: 0.34075713619250403
Energy: 0.3484981207385255
Energy: 0.3494775574379959
Energy: 0.34119429078597646
Energy: 0.3503702820133524
Energy: 0.3575372970143154
Energy: 0.3521543620850451
Energy: 0.3495231150307057
Energy: 0.35196542207357756
Energy: 0.3519527621426407
Energy: 0.3498147933350151

minimum gb energy = 0.3206870923531947 eV
minimum distance =  3.22056169074392 Angstroms
sigma value = 33


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

Energy: 0.4232235802674503
Energy: 0.4153653949166257
Energy: 0.41483442736343834
Energy: 0.39803691245935485
Energy: 0.42070754367320745
Energy: 0.4043407086733665
Energy: 0.4228840526928651
Energy: 0.4084333589635757
Energy: 0.40765960974355686
Energy: 0.41304960359061044
Energy: 0.4101887605782099
Energy: 0.40722662434579115
Energy: 0.4442057133972085
Energy: 0.40210747163951027
Energy: 0.40003803803125254
Energy: 0.41039618043782433
Energy: 0.39716394997482063
Energy: 0.4010068358148036
Energy: 0.4201042183057493
Energy: 0.40321701632797463
Energy: 0.39975113474713325
Energy: 0.41014958102904886
Energy: 0.39973697233080785
Energy: 0.39990162151123515
Energy: 0.42416568790207826
Energy: 0.4086806707062119
Energy: 0.4076906021507902
Energy: 0.41294223070195646
Energy: 0.4100122213890274
Energy: 0.40719483147443075
Energy: 0.39914753044931206
Energy: 0.4089819330018744
Energy: 0.41045637927080875
Energy: 0.388054536446292
Energy: 0.4077480727854227
Energy: 0.4023292053301456
Energy: 0.4141159638500519
Energy: 0.40768415358571225
Energy: 0.4071870072132433
Energy: 0.40488553724365123
Energy: 0.4091155834617236
Energy: 0.4044507459272289
Energy: 0.4150144110615997
Energy: 0.3960777637623643
Energy: 0.4076088226456634
Energy: 0.4044575199393025
Energy: 0.39330134797854044
Energy: 0.40758451895939163
Energy: 0.4056894641877083
Energy: 0.4066358815216654
Energy: 0.40678595805275747
Energy: 0.407596899691964
Energy: 0.4099864940565692
Energy: 0.4091074398108622
Energy: 0.4061121253346222
Energy: 0.3931212583384766
Energy: 0.3930452966750259
Energy: 0.406239457579836
Energy: 0.39382605527271675
Energy: 0.3963113622502406
Energy: 0.4051799177433119
Energy: 0.4025617332160524
Energy: 0.4032589232971888
Energy: 0.39516542599858606
Energy: 0.40667439975088876
Energy: 0.40328256210406127
Energy: 0.3933417681421376
Energy: 0.39623361668073664
Energy: 0.4026928001788205
Energy: 0.39351182844652743
Energy: 0.3995291357292015
Energy: 0.3965856767274999
Energy: 0.3933674843388753
Energy: 0.4071095795193458
Energy: 0.4097002483313564
Energy: 0.3933708394258764
Energy: 0.40350674724828256
Energy: 0.3931274114776151
Energy: 0.40283322713267494
Energy: 0.40723463997048026
Energy: 0.40653351935080695
Energy: 0.38619816496164894
Energy: 0.40500911273354173
Energy: 0.39989016795290233
Energy: 0.40740024311745576
Energy: 0.40316199714748874
Energy: 0.40249382331934735
Energy: 0.4069343237086553
Energy: 0.40518886576519836
Energy: 0.40979436724869706
Energy: 0.41325306676311546
Energy: 0.4042319319286076
Energy: 0.4042099086935436
Energy: 0.41234624041339063
Energy: 0.4033372921414385
Energy: 0.41209452060310764
Energy: 0.44450818221936744
Energy: 0.400960493666481
Energy: 0.40476957420220255
Energy: 0.4105394847341387
Energy: 0.3984730687368066
Energy: 0.4058018836603856
Energy: 0.44590377680847687
Energy: 0.41179110446283823
Energy: 0.4112885941627899
Energy: 0.4096008832792632
Energy: 0.4138659914912455
Energy: 0.4216417929100942
Energy: 0.3904463138719979
Energy: 0.4094714263607668
Energy: 0.40222325498194655
Energy: 0.3911882078301359
Energy: 0.4102768867340884
Energy: 0.40013183318770185
Energy: 0.4225196628147154
Energy: 0.40898408597105834
Energy: 0.4074604139657978
Energy: 0.4064643684105317
Energy: 0.41030080129244045
Energy: 0.4072983998697874
Energy: 0.44467782856514665
Energy: 0.40165335526812257
Energy: 0.4004787721082946
Energy: 0.41001241907949015
Energy: 0.4079990811836986
Energy: 0.4002615045107984
Energy: 0.4188446935153492
Energy: 0.403164893948627
Energy: 0.3999120095521397
Energy: 0.41031759986454674
Energy: 0.40379156798215987
Energy: 0.4008596859714016
Energy: 0.4244239245865964
Energy: 0.40824121547136794
Energy: 0.4072932610785715
Energy: 0.41301329217721366
Energy: 0.4100023855151492
Energy: 0.4072813927085214
Energy: 0.39788410042767025
Energy: 0.4079284872715799
Energy: 0.4099919685954132
Energy: 0.3877899874886285
Energy: 0.40757869828447024
Energy: 0.400952589671742
Energy: 0.4139221059465788
Energy: 0.4076803794324139
Energy: 0.4067656040248126
Energy: 0.4046809301031195
Energy: 0.4075214518517124
Energy: 0.4153471716105618
Energy: 0.4145457649623724
Energy: 0.3972577035225994
Energy: 0.40799321836492675
Energy: 0.4048115774223121
Energy: 0.3931991039176534
Energy: 0.4076709555071946
Energy: 0.40491415979390766
Energy: 0.4065077462125177
Energy: 0.40729445871040226
Energy: 0.4059891075947761
Energy: 0.4105450226198062
Energy: 0.4087269829916887
Energy: 0.40586871108183364
Energy: 0.3933209338604639
Energy: 0.3932267517501192
Energy: 0.4061773828008079
Energy: 0.39409389715977367
Energy: 0.396510846634971
Energy: 0.4051615943921214
Energy: 0.4086514522803646
Energy: 0.40356403321743495
Energy: 0.3950100326967448
Energy: 0.4063552888682036
Energy: 0.4035087857457814
Energy: 0.39282084431474806
Energy: 0.3965171009886697
Energy: 0.4022444408063113
Energy: 0.39280988684109275
Energy: 0.401886065500097
Energy: 0.4023067966209214
Energy: 0.3934520104276834
Energy: 0.40824135938349115
Energy: 0.40315721788555586
Energy: 0.3934563753583918
Energy: 0.4081947942707623
Energy: 0.39300064384814826
Energy: 0.40308446355349503
Energy: 0.40748867198666006
Energy: 0.40685156045500276
Energy: 0.38394825130783783
Energy: 0.40625348875771894
Energy: 0.399204843177725
Energy: 0.4035852421426531
Energy: 0.4036455344832416
Energy: 0.4032105994683405
Energy: 0.40520586567888767
Energy: 0.40505053169912003
Energy: 0.4094920409884208
Energy: 0.413518721298244
Energy: 0.4043137204223828
Energy: 0.4123667340436548
Energy: 0.4141669157234992
Energy: 0.4033814584603088
Energy: 0.41073428649128246
Energy: 0.4446661406527193
Energy: 0.40052281022795155
Energy: 0.40567018922756826
Energy: 0.41007906638098923
Energy: 0.38043458698024063
Energy: 0.40567189217954586
Energy: 0.4461458027122851
Energy: 0.4114242693964284
Energy: 0.41130215384346214
Energy: 0.4101433056321638
Energy: 0.413604007497657
Energy: 0.410577217057542
Energy: 0.39046598883330885
Energy: 0.4096757167198979
Energy: 0.40259101116372115
Energy: 0.3907265899785016
Energy: 0.410150914600506
Energy: 0.40036004344297016

minimum gb energy = 0.38043458698024063 eV
minimum distance =  3.24257729815577 Angstroms
sigma value = 41


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

Energy: 0.5077621793715714
Energy: 0.517864424829231
Energy: 0.5200918479331623
Energy: 0.49197717471253766
Energy: 0.5040173465626776
Energy: 0.524987270599604
Energy: 0.5076563754521228
Energy: 0.4995512799387073
Energy: 0.5001239101915528
Energy: 0.5047549229743966
Energy: 0.4987721971503263
Energy: 0.4898967727763024
Energy: 0.5467351910476704
Energy: 0.4857110512538904
Energy: 0.4850353101581947
Energy: 0.49822660626923554
Energy: 0.48584933606192604
Energy: 0.4932451554104839
Energy: 0.5084568639755491
Energy: 0.48530932292334683
Energy: 0.48529286504158126
Energy: 0.4982392178567005
Energy: 0.4858764170248261
Energy: 0.4892080564699725
Energy: 0.5048588147212153
Energy: 0.4982149825690102
Energy: 0.4990969049322977
Energy: 0.5047585526196157
Energy: 0.4989274974328482
Energy: 0.4899618797746092
Energy: 0.48844281913924614
Energy: 0.49793069252170613
Energy: 0.4891475085591753
Energy: 0.48508393576227365
Energy: 0.4961021757328261
Energy: 0.4892409266143355
Energy: 0.49944908503290725
Energy: 0.5028615698788542
Energy: 0.49931030218490224
Energy: 0.4900335809036513
Energy: 0.5019717975193377
Energy: 0.4892635529086299
Energy: 0.5002300224141998
Energy: 0.4907009289813374
Energy: 0.48972205176786016
Energy: 0.4897097013716903
Energy: 0.48929233690776036
Energy: 0.48946010133880985
Energy: 0.4852653800366856
Energy: 0.49031124690361155
Energy: 0.49012961962395757
Energy: 0.4872565588941994
Energy: 0.4971758627154829
Energy: 0.489262426535214
Energy: 0.49508820740135573
Energy: 0.489741184158874
Energy: 0.48934142013857823
Energy: 0.48934618192542123
Energy: 0.4894491252370142
Energy: 0.4889562461129509
Energy: 0.4967885777434724
Energy: 0.4971118062898292
Energy: 0.5044196037732017
Energy: 0.497791924032885
Energy: 0.4993233807479436
Energy: 0.4991675175399456
Energy: 0.5467511175590285
Energy: 0.48671465835532435
Energy: 0.48688974912113814
Energy: 0.500070870562778
Energy: 0.4867154690945497
Energy: 0.4865883430633313
Energy: 0.5480752929466285
Energy: 0.5013976524905107
Energy: 0.49622792388057557
Energy: 0.49919776751277134
Energy: 0.5011821977717511
Energy: 0.49827280626659914
Energy: 0.4876975491622296
Energy: 0.49797698748809643
Energy: 0.4865373965750225
Energy: 0.4834371860699416
Energy: 0.4975976710449773
Energy: 0.4865493139969526

minimum gb energy = 0.4834371860699416 eV
minimum distance =  3.23011538098042 Angstroms
sigma value = 11


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

Energy: 0.5913381184080919
Energy: 0.5952152682763199
Energy: 0.6029306530965405
Energy: 0.5873563061156756
Energy: 0.5693717288597633
Energy: 0.5966233334508919
Energy: 0.6336111794011177
Energy: 0.5736754802718003
Energy: 0.573385262544536
Energy: 0.5653303923980723
Energy: 0.5729417944143915
Energy: 0.5634648325338127
Energy: 0.6512729038245599
Energy: 0.5549352355472064
Energy: 0.5545595937677872
Energy: 0.5571048586534505
Energy: 0.5552759954565614
Energy: 0.5566495867494302
Energy: 0.5704522689295147
Energy: 0.5547812416596515
Energy: 0.5569380628341025
Energy: 0.5570431264372496
Energy: 0.5548045103827023
Energy: 0.5570937354414682
Energy: 0.5737155980500588
Energy: 0.5590904574292292
Energy: 0.5595082724820333
Energy: 0.5634101813702985
Energy: 0.5586680339616898
Energy: 0.5590574357903966
Energy: 0.5706228960973765
Energy: 0.5533875281685247
Energy: 0.5529537380502698
Energy: 0.5593504536096668
Energy: 0.547153949529865
Energy: 0.5531445851401635
Energy: 0.5768368295966001
Energy: 0.5534069024662726
Energy: 0.5531801679396231
Energy: 0.5471833216796513
Energy: 0.5515399621970591
Energy: 0.5529830956477135
Energy: 0.5935050712809435
Energy: 0.5589241687174743
Energy: 0.5584901487118072
Energy: 0.5591255942057092
Energy: 0.5596867841137723
Energy: 0.5591957575819546
Energy: 0.5637028470463562
Energy: 0.5569590188046241
Energy: 0.5567651422706326
Energy: 0.5521208588894024
Energy: 0.5570261943957693
Energy: 0.5575443516487861
Energy: 0.5635063587867578
Energy: 0.5569769545083918
Energy: 0.5566480116199286
Energy: 0.549468088366719
Energy: 0.5571985323653158
Energy: 0.5574666964126899
Energy: 0.5877326091525072
Energy: 0.5678219557117642
Energy: 0.5658201630171366
Energy: 0.5733614365154408
Energy: 0.5504529403091405
Energy: 0.5738000604953353
Energy: 0.5705056859806052
Energy: 0.5547207083406326
Energy: 0.5548779925013324
Energy: 0.5705937518172574
Energy: 0.5514455617753536
Energy: 0.5582569576391262
Energy: 0.5769552622336998
Energy: 0.5563806393506598
Energy: 0.5562420894803035
Energy: 0.5774307966504605
Energy: 0.5570263303781119
Energy: 0.5565584603933746
Energy: 0.5638870792100859
Energy: 0.562503576652082
Energy: 0.5621852728874263
Energy: 0.5550214249881742
Energy: 0.5627602383377663
Energy: 0.5569870159645212
Energy: 0.5770295595703206
Energy: 0.5570094266438933
Energy: 0.5566019460218479
Energy: 0.560491983583826
Energy: 0.5567993558069464
Energy: 0.5571253501634705
Energy: 0.5838208247757561
Energy: 0.5570117259544362
Energy: 0.5567165815224686
Energy: 0.55659159358108
Energy: 0.5566487727428596
Energy: 0.5573542939490547
Energy: 0.5730824889989374
Energy: 0.5564352667789407
Energy: 0.5566519979183888
Energy: 0.5461560429918534
Energy: 0.5567126712151672
Energy: 0.5568793798950985
Energy: 0.5631682710707075
Energy: 0.5772655112221384
Energy: 0.5666709967412247
Energy: 0.5667397008833935
Energy: 0.5566216688899038
Energy: 0.5497381959981745
Energy: 0.5687454601213422
Energy: 0.5566861794301223
Energy: 0.5564978079975559
Energy: 0.5578760125965786
Energy: 0.5569637054626615
Energy: 0.5566020448848877
Energy: 0.5662375474755698
Energy: 0.5558365844557497
Energy: 0.5553740227633062
Energy: 0.5630641967019525
Energy: 0.5560824113250072
Energy: 0.5536205076394151
Energy: 0.6232796137601628
Energy: 0.5551918267085224
Energy: 0.5651733226607325
Energy: 0.5667675035519015
Energy: 0.5553834752731691
Energy: 0.5654100187726988
Energy: 0.5887822237839261
Energy: 0.5652467307406925
Energy: 0.5651030308877224
Energy: 0.555845618196524
Energy: 0.5656528615221195
Energy: 0.5653923094999024
Energy: 0.56957542109829
Energy: 0.5655323465373511
Energy: 0.5625440818419772
Energy: 0.5472525761761429
Energy: 0.5628758232106724
Energy: 0.5576311728124124
Energy: 0.6155750361454952
Energy: 0.5680005549498818
Energy: 0.5567328433602853
Energy: 0.5565175385521974
Energy: 0.5740835515907744
Energy: 0.556576524691041
Energy: 0.5888343461012508
Energy: 0.5568392879471128
Energy: 0.5557721293282574
Energy: 0.5836237847794801
Energy: 0.5567908632976922
Energy: 0.5569484042953973
Energy: 0.5737592548138645
Energy: 0.55179891620804
Energy: 0.5570134693218626
Energy: 0.5567925967901755
Energy: 0.5464350456265825
Energy: 0.5571741129390045
Energy: 0.5737844445774063
Energy: 0.5568718244801304
Energy: 0.5581380078473436
Energy: 0.5567693769642554
Energy: 0.5568847964621532
Energy: 0.5568120178884599
Energy: 0.5732468494182226
Energy: 0.5568810308121608
Energy: 0.5577020117602752
Energy: 0.5569389510728078
Energy: 0.5616183049704488
Energy: 0.5566674450267396
Energy: 0.5738906711091699
Energy: 0.5539954362465326
Energy: 0.5536651717206097
Energy: 0.5880605814267658
Energy: 0.5556912337189758
Energy: 0.5535107886445005
Energy: 0.6516507498957063
Energy: 0.5713880924273405
Energy: 0.5573689333584758
Energy: 0.5567183209027627
Energy: 0.5594495041383005
Energy: 0.5562017678312547
Energy: 0.5770566175737865
Energy: 0.5641609218545046
Energy: 0.5676112936973826
Energy: 0.5383327015655546
Energy: 0.5742786002575205
Energy: 0.5570902001266963

minimum gb energy = 0.5383327015655546 eV
minimum distance =  3.2217033314462 Angstroms
sigma value = 57


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

Energy: 0.7986787374590499
Energy: 0.6112748821811097
Energy: 0.6113923349048093
Energy: 0.6124879778828743
Energy: 0.6024166361674945
Energy: 0.6115791460215934
Energy: 0.6225501802943045
Energy: 0.5913239334955538
Energy: 0.5911705287197718
Energy: 0.6027944116524059
Energy: 0.5920644083573328
Energy: 0.5915490682468588
Energy: 0.6153619151960046
Energy: 0.585350593341771
Energy: 0.5851016432153124
Energy: 0.5910984753898738
Energy: 0.5858533598118396
Energy: 0.5916421896139942
Energy: 0.6027812667185305
Energy: 0.5911625245052741
Energy: 0.5915529150411821
Energy: 0.6013699655741669
Energy: 0.5866674438014736
Energy: 0.591393121804977
Energy: 0.6029067154845524
Energy: 0.5926261063105058
Energy: 0.591194347191147
Energy: 0.5914401074080544
Energy: 0.5913323138749678
Energy: 0.5906585423437549
Energy: 0.6034512947388514
Energy: 0.591513308528573
Energy: 0.5913035562447387
Energy: 0.5922766510977392
Energy: 0.6166303186994421
Energy: 0.5910392126800382
Energy: 0.6165523858655285
Energy: 0.5853282763878649
Energy: 0.5855194370547361
Energy: 0.6156554854357967
Energy: 0.5859789719095572
Energy: 0.5917409896410071
Energy: 0.6502293121032031
Energy: 0.5917951819285814
Energy: 0.591614581790844
Energy: 0.5920483989406709
Energy: 0.5917444949234942
Energy: 0.5915076499845278
Energy: 0.6228428275297381
Energy: 0.5921121571810051
Energy: 0.5864537889689929
Energy: 0.5875720461367774
Energy: 0.5913985959215665
Energy: 0.5863701020073053
Energy: 0.6229580886402101
Energy: 0.5919004194369938
Energy: 0.5863363253550914
Energy: 0.5875735845440696
Energy: 0.5915210335704905
Energy: 0.5864520398133947
Energy: 0.6508955783970716
Energy: 0.5912751414790469
Energy: 0.5910083493605911
Energy: 0.6022826581811009
Energy: 0.5919556979575215
Energy: 0.5911849572223493
Energy: 0.6027454528917993
Energy: 0.5852833994687588
Energy: 0.585073393542845
Energy: 0.5908523135904463
Energy: 0.5858102264599634
Energy: 0.5918741832222016
Energy: 0.602628441613923
Energy: 0.592180809268225
Energy: 0.5913370788881934
Energy: 0.6030225766593688
Energy: 0.6035219262620842
Energy: 0.5909166218354988
Energy: 0.6033292340539795
Energy: 0.5918688119187643
Energy: 0.5913066300052987
Energy: 0.5921050631009319
Energy: 0.6049803560088423
Energy: 0.5910645586241
Energy: 0.6142323941113063
Energy: 0.586090565530611
Energy: 0.5908145770017968
Energy: 0.5918982417882688
Energy: 0.5860596178108766
Energy: 0.590658384803352
Energy: 0.6154777188592312
Energy: 0.5856026863398762
Energy: 0.5857313542965823
Energy: 0.5917521241756059
Energy: 0.5859823689833789
Energy: 0.5908927882343786
Energy: 0.6225381513343761
Energy: 0.5914975762439053
Energy: 0.5918043459655903
Energy: 0.5934492863556996
Energy: 0.5920552865459655
Energy: 0.5915819299402721

minimum gb energy = 0.585073393542845 eV
minimum distance =  3.22492196727316 Angstroms
sigma value = 9


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

Energy: 0.667023772469281
Energy: 0.6333949407728722
Energy: 0.6236034827733795
Energy: 0.624605004620808
Energy: 0.6284484534992759
Energy: 0.6154243094890438
Energy: 0.6728103628615714
Energy: 0.6040838735199585
Energy: 0.6046004467532842
Energy: 0.6050430214432825
Energy: 0.6039661300201523
Energy: 0.6033733596152633
Energy: 0.6443197423635346
Energy: 0.6065165519424769
Energy: 0.5980058659392236
Energy: 0.6119180115426904
Energy: 0.602399041704572
Energy: 0.5990931040090204
Energy: 0.6069000595169508
Energy: 0.599484529815986
Energy: 0.5989431971323319
Energy: 0.6013374175949671
Energy: 0.6039765876849043
Energy: 0.5986401265137313
Energy: 0.6012022646969215
Energy: 0.5916878512348343
Energy: 0.5926264545427768
Energy: 0.6056082883398427
Energy: 0.5932191503587549
Energy: 0.5930418575408458
Energy: 0.6004387807732342
Energy: 0.5959796983404526
Energy: 0.5949196044364061
Energy: 0.5969973373480257
Energy: 0.597834510299981
Energy: 0.5947228637032623
Energy: 0.6054361536948697
Energy: 0.5887543423803224
Energy: 0.6131742841161553
Energy: 0.5891963329004309
Energy: 0.5951507970459522
Energy: 0.6031340372747501
Energy: 0.6523835089571776
Energy: 0.5950520057258364
Energy: 0.5958360542172486
Energy: 0.5958841482428331
Energy: 0.595616797248585
Energy: 0.5957510075560193
Energy: 0.6346560575415279
Energy: 0.5954927243159076
Energy: 0.5950492982339616
Energy: 0.5994671082057293
Energy: 0.5954839755370043
Energy: 0.5979320796357765
Energy: 0.6347112642263257
Energy: 0.5898212622665069
Energy: 0.5952692015861331
Energy: 0.5991187121992333
Energy: 0.6156954660993703
Energy: 0.595255462808535
Energy: 0.654019853829924
Energy: 0.5912122517188478
Energy: 0.5902695250789708
Energy: 0.5964617332951737
Energy: 0.5956929115480804
Energy: 0.5895739986827995
Energy: 0.6380519620469814
Energy: 0.5994548570811526
Energy: 0.6037248534856012
Energy: 0.6040587672473654
Energy: 0.6055243363152363
Energy: 0.6028425985161745
Energy: 0.6376681503603979
Energy: 0.6025747970683969
Energy: 0.5992492912666255
Energy: 0.5950060136333308
Energy: 0.6018772758481221
Energy: 0.5944692167871152
Energy: 0.6305880630622474
Energy: 0.599369281620069
Energy: 0.5985209662600373
Energy: 0.5932390544159826
Energy: 0.6007460847868462
Energy: 0.5984193665224183
Energy: 0.6372614595227635
Energy: 0.5943573935711058
Energy: 0.594130301957181
Energy: 0.6047161570736778
Energy: 0.5948782058301605
Energy: 0.6041326470112387
Energy: 0.6198962022666538
Energy: 0.597921925906773
Energy: 0.5943325113883675
Energy: 0.5929646329916209
Energy: 0.5979706476452848
Energy: 0.5942682789695087
Energy: 0.6232663091601357
Energy: 0.5994063919440532
Energy: 0.5990442545432968
Energy: 0.6018835902411527
Energy: 0.600125570969254
Energy: 0.599102917220846
Energy: 0.6229909167395692
Energy: 0.593950367583049
Energy: 0.6137494983356585
Energy: 0.5979316575990031
Energy: 0.6038989886315005
Energy: 0.6140091190426625
Energy: 0.6228536029170109
Energy: 0.5995766271926843
Energy: 0.5988365799664964
Energy: 0.61584280093247
Energy: 0.6182635462675992
Energy: 0.6020763408758759
Energy: 0.623270927130801
Energy: 0.5989461922429198
Energy: 0.5984372958318334
Energy: 0.6018934015335491
Energy: 0.6003593946402891
Energy: 0.5987880970793402
Energy: 0.6361521249396574
Energy: 0.604522065753928
Energy: 0.6046701076348266
Energy: 0.5950240286977478
Energy: 0.6044137727414505
Energy: 0.6054369483150904

minimum gb energy = 0.5887543423803224 eV
minimum distance =  3.1806480234293 Angstroms
sigma value = 27


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

Energy: 0.8942329101793229
Energy: 0.6152059079716579
Energy: 0.5937476134976746
Energy: 0.59440700466244
Energy: 0.5833293014789418
Energy: 0.5991611044965897
Energy: 0.6520665233299883
Energy: 0.6008382711886019
Energy: 0.5936931334649976
Energy: 0.5990329989979831
Energy: 0.5885498461445426
Energy: 0.5993584064219052
Energy: 0.6685800126052317
Energy: 0.5935421856482168
Energy: 0.5994759826410274
Energy: 0.5953415014542455
Energy: 0.6129383700093924
Energy: 0.6005115165430637
Energy: 0.683602242450555
Energy: 0.5882293008318042
Energy: 0.5951907093460107
Energy: 0.6333090903786577
Energy: 0.5880276422022761
Energy: 0.5896268480440812
Energy: 0.6163871423827509
Energy: 0.6152191627972601
Energy: 0.5884909321427653
Energy: 0.6149061768275507
Energy: 0.6221014940960832
Energy: 0.6148999333558011
Energy: 0.6705753381912332
Energy: 0.6320226989368558
Energy: 0.632917889085457
Energy: 0.6325475620688432
Energy: 0.6357537192114928
Energy: 0.6319988030473022
Energy: 0.6732183796701153
Energy: 0.6012835294904334
Energy: 0.6028809863722622
Energy: 0.5950168275300819
Energy: 0.6012190765026916
Energy: 0.6018717672097618
Energy: 0.6580377186838293
Energy: 0.6096039231643816
Energy: 0.6370902905111183
Energy: 0.6365272082116871
Energy: 0.616436461265943
Energy: 0.6365098421149288
Energy: 0.6580876133276036
Energy: 0.6331582001465379
Energy: 0.6321379203672762
Energy: 0.6313717111995947
Energy: 0.6361543923692186
Energy: 0.6320601767898815
Energy: 0.658315441545626
Energy: 0.6163572948939613
Energy: 0.6168991508884587
Energy: 0.6314724335705
Energy: 0.6338158756620816
Energy: 0.6320393203539394
Energy: 0.6582518096655368
Energy: 0.6406444423455337
Energy: 0.6348690000344184
Energy: 0.6370092750259749
Energy: 0.5994966173939941
Energy: 0.636458583419877
Energy: 0.6671825504892537
Energy: 0.6270402761133036
Energy: 0.62720202303518
Energy: 0.6159849449394443
Energy: 0.6276936716949195
Energy: 0.6273115440210089
Energy: 0.7017327786942394
Energy: 0.6259147230106318
Energy: 0.6252991139445985
Energy: 0.6234701201031878
Energy: 0.6277267465594882
Energy: 0.6268907961561335
Energy: 0.7032433314041076
Energy: 0.6256150354311167
Energy: 0.6250233956055607
Energy: 0.6268481084922649
Energy: 0.6263777407152362
Energy: 0.6255860953403763
Energy: 0.6672453870603364
Energy: 0.6246964343464052
Energy: 0.6250763573122868
Energy: 0.6246415943744941
Energy: 0.6235576024752777
Energy: 0.6248534348624596
Energy: 0.6385123899378283
Energy: 0.6316989346999734
Energy: 0.6320651832135333
Energy: 0.6325596431599472
Energy: 0.6235940784388735
Energy: 0.6328913962277438
Energy: 0.6162645455282767
Energy: 0.6252121630498938
Energy: 0.6295428275854298
Energy: 0.6166489344329712
Energy: 0.6255192327451204
Energy: 0.6299832068824819
Energy: 0.6412566020582464
Energy: 0.6324218621747727
Energy: 0.6322108799438965
Energy: 0.6319389698743447
Energy: 0.6315606852982951
Energy: 0.6322840102186102
Energy: 0.6425828399792537
Energy: 0.6087221480677778
Energy: 0.6089137125274823
Energy: 0.6373163456386168
Energy: 0.6095088638045637
Energy: 0.6088316389802143
Energy: 0.6854451304383007
Energy: 0.610648521140328
Energy: 0.6096476428650167
Energy: 0.5889569753963354
Energy: 0.6096194895771481
Energy: 0.6092392611136546
Energy: 0.638984340769436
Energy: 0.6335589603315943
Energy: 0.6332645472960622
Energy: 0.6328505999241659
Energy: 0.6365892560292412
Energy: 0.6329181337670756
Energy: 0.6158213607206029
Energy: 0.6221351463512587
Energy: 0.6148398107317707
Energy: 0.6146266419037001
Energy: 0.5896558817681842
Energy: 0.6022019651052628
Energy: 0.6685184079072487
Energy: 0.5990392170651135
Energy: 0.614415827919594
Energy: 0.5924733170535262
Energy: 0.5954073285618613
Energy: 0.5974877140508295
Energy: 0.6694324694789171
Energy: 0.6006633635918613
Energy: 0.5965478094489508
Energy: 0.6075344275652362
Energy: 0.6070422619981835
Energy: 0.6182179911266795
Energy: 0.6435620857461628
Energy: 0.6050074967182864
Energy: 0.5878511287988046
Energy: 0.6030695295699953
Energy: 0.5935933884093543
Energy: 0.6104597391919243

minimum gb energy = 0.5833293014789418 eV
minimum distance =  3.08747554981394 Angstroms
sigma value = 19


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

Energy: 0.9752313416985171
Energy: 0.5742002314061263
Energy: 0.5763117108994821
Energy: 0.573400491733271
Energy: 0.5704970927089743
Energy: 0.5742654241321608
Energy: 0.6213128550101832
Energy: 0.5789905542409115
Energy: 0.5861512273411372
Energy: 0.5824254040780908
Energy: 0.5799687646529477
Energy: 0.5861813106047786
Energy: 0.6008713902326674
Energy: 0.5818336843171811
Energy: 0.5793090178796055
Energy: 0.5762334769887195
Energy: 0.5817231683330243
Energy: 0.5790977643221428
Energy: 0.6020177873191556
Energy: 0.5861972206951598
Energy: 0.5866364371678927
Energy: 0.5792741282757824
Energy: 0.5857519227414363
Energy: 0.5861350336123202
Energy: 0.6185346149262134
Energy: 0.5759530496807148
Energy: 0.5761919004708861
Energy: 0.5746730798804249
Energy: 0.5806035280577032
Energy: 0.5757038945562376
Energy: 0.6018994187926933
Energy: 0.5857731891346825
Energy: 0.586627722602736
Energy: 0.5697862924893691
Energy: 0.5864940695125912
Energy: 0.5862252530548074
Energy: 0.6050371499734527
Energy: 0.5751897969023145
Energy: 0.5731116803285684
Energy: 0.5668634325680285
Energy: 0.5767936035246113
Energy: 0.5739060491778089
Energy: 0.599817229438999
Energy: 0.5777296985246417
Energy: 0.5864093177757023
Energy: 0.5801257375795267
Energy: 0.5774126396502066
Energy: 0.5793923292505851
Energy: 0.6001196202492836
Energy: 0.579409446362399
Energy: 0.5821305377326911
Energy: 0.5833918681012518
Energy: 0.5759518199811501
Energy: 0.5820483215066458
Energy: 0.5986009093432729
Energy: 0.5790879813698818
Energy: 0.5782349386515636
Energy: 0.5845824083593493
Energy: 0.5787912252492916
Energy: 0.5782338993345072
Energy: 0.599172842813552
Energy: 0.5742187435162058
Energy: 0.5691295966220434
Energy: 0.57972813851109
Energy: 0.574309875843378
Energy: 0.5691029863405174
Energy: 0.6095661388995715
Energy: 0.5808486880072289
Energy: 0.5814572415515186
Energy: 0.582251229233608
Energy: 0.5663446476369149
Energy: 0.5814227087506532
Energy: 0.6028842495766051
Energy: 0.5849783204923424
Energy: 0.5696152210759867
Energy: 0.5778488158262246
Energy: 0.5852290465748847
Energy: 0.570217353825045
Energy: 0.6167286597914755
Energy: 0.5789730625782182
Energy: 0.578523658095016
Energy: 0.5706358846119153
Energy: 0.5787561723835217
Energy: 0.5782492150984421
Energy: 0.6085644359367463
Energy: 0.5724046140892156
Energy: 0.5728434365536533
Energy: 0.5701141964454165
Energy: 0.5773417488483131
Energy: 0.5727971115986735
Energy: 0.60677142897896
Energy: 0.5717487875874826
Energy: 0.5718923231458638
Energy: 0.5720979751369987
Energy: 0.5696979081436473
Energy: 0.5719495242443099
Energy: 0.6043202941508043
Energy: 0.5763341051700005
Energy: 0.5843859774834058
Energy: 0.5771211254128573
Energy: 0.5780009943437208
Energy: 0.5837654106864532
Energy: 0.6058653866320342
Energy: 0.5719069545862332
Energy: 0.5719849239744633
Energy: 0.5729817943377926
Energy: 0.5719908047902008
Energy: 0.5763588457511352
Energy: 0.6071754287775948
Energy: 0.5716239905996892
Energy: 0.581681866937015
Energy: 0.5731976792043115
Energy: 0.5715326166247376
Energy: 0.5788614742480733
Energy: 0.5852715029061442
Energy: 0.5824621358550193
Energy: 0.5815898074418389
Energy: 0.5749451531132418
Energy: 0.5714049661904795
Energy: 0.5765943771948312
Energy: 0.592511864817466
Energy: 0.5728344443180237
Energy: 0.5696714468990314
Energy: 0.5720224582470341
Energy: 0.5719429662481289
Energy: 0.5787727228781815
Energy: 0.5901410319929911
Energy: 0.582904610683684
Energy: 0.5819705179439669
Energy: 0.5716095549285826
Energy: 0.5822331662690584
Energy: 0.582102814891107
Energy: 0.5897833772036192
Energy: 0.5765390251729456
Energy: 0.5763092810591659
Energy: 0.5786955125693544
Energy: 0.571848814235005
Energy: 0.5715315937111208
Energy: 0.6022623693183177
Energy: 0.5767747458562198
Energy: 0.5711410031741438
Energy: 0.5838761137633847
Energy: 0.5710548324678012
Energy: 0.5712803392821826
Energy: 0.6062540169554005
Energy: 0.5841525222463432
Energy: 0.5827375840368639
Energy: 0.5759388589457961
Energy: 0.5703527552489085
Energy: 0.582386924090205
Energy: 0.6053457829171298
Energy: 0.5701384155481243
Energy: 0.5696320996917197
Energy: 0.5807919601163003
Energy: 0.5698131147455845
Energy: 0.5696471909358151
Energy: 0.6026075821470342
Energy: 0.578296549578854
Energy: 0.5782238849146402
Energy: 0.57848803672707
Energy: 0.578274289209823
Energy: 0.5782263932209045
Energy: 0.6104566523870727
Energy: 0.5821336235044777
Energy: 0.5816874047414459
Energy: 0.5807110265004757
Energy: 0.5830982576863817
Energy: 0.5862213791563661
Energy: 0.6051611017620929
Energy: 0.5791113292936358
Energy: 0.5893810103295167
Energy: 0.5721136435121154
Energy: 0.5798553812981332
Energy: 0.5705128443965946

minimum gb energy = 0.5663446476369149 eV
minimum distance =  3.18768249742388 Angstroms
sigma value = 101


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

Energy: 0.8934254358796001
Energy: 0.5555271102198717
Energy: 0.5550020924378612
Energy: 0.532214367949551
Energy: 0.5600815223191951
Energy: 0.532872140063491
Energy: 0.6070314674785298
Energy: 0.554048775817599
Energy: 0.5533082344684523
Energy: 0.5530953640298566
Energy: 0.5445454164763776
Energy: 0.5528921896618815
Energy: 0.5973791000969035
Energy: 0.5518645535642352
Energy: 0.5446938885649526
Energy: 0.5486831968892693
Energy: 0.5528584151230408
Energy: 0.5453387428425909
Energy: 0.5803278253938913
Energy: 0.5538421443481719
Energy: 0.552550502152417
Energy: 0.5532691617180443
Energy: 0.5536948107071855
Energy: 0.5522283743006
Energy: 0.581970166219697
Energy: 0.5470084414480881
Energy: 0.5477677959587216
Energy: 0.5505628930328315
Energy: 0.5488573547564214
Energy: 0.5581882163510264
Energy: 0.5789483834769955
Energy: 0.5540913254492068
Energy: 0.5529370640756393
Energy: 0.5532465201447141
Energy: 0.5542216220160529
Energy: 0.5528863520939399
Energy: 0.5698486342448176
Energy: 0.5505558347782675
Energy: 0.5436637457773014
Energy: 0.5515419086483937
Energy: 0.5504808402833394
Energy: 0.5437268999132662
Energy: 0.5818663211575062
Energy: 0.5543540074608474
Energy: 0.5536154714534166
Energy: 0.5445013145026101
Energy: 0.5505644918668419
Energy: 0.5533037287439819
Energy: 0.5687411613209145
Energy: 0.5449847878242886
Energy: 0.5511105711051615
Energy: 0.5512861448930092
Energy: 0.5443492418543061
Energy: 0.5513081701250953
Energy: 0.5686278499244736
Energy: 0.5531357475619274
Energy: 0.5521174588388491
Energy: 0.5514627956790188
Energy: 0.5519866914674326
Energy: 0.5520994418783671
Energy: 0.5795903582807299
Energy: 0.5315707966165995
Energy: 0.5310974445160292
Energy: 0.5446407881556753
Energy: 0.5492381623281843
Energy: 0.5311084513659957
Energy: 0.5882006476996027
Energy: 0.5539839662807916
Energy: 0.5527133204755831
Energy: 0.5531612926246227
Energy: 0.5520989689267376
Energy: 0.5524332383310016
Energy: 0.5782957468465721
Energy: 0.5468634886273929
Energy: 0.5478990125780128
Energy: 0.5496227480212819
Energy: 0.5442925859331
Energy: 0.548196800996579
Energy: 0.5781565504347504
Energy: 0.553950668772445
Energy: 0.5537605440426787
Energy: 0.5492456194495974
Energy: 0.5529040895899725
Energy: 0.5536800256626145
Energy: 0.5880214379838706
Energy: 0.5555095235971101
Energy: 0.5547708000656586
Energy: 0.5488517778623969
Energy: 0.5572325354111295
Energy: 0.5568838130835622
Energy: 0.59672545868169
Energy: 0.553757071236048
Energy: 0.5527930496842961
Energy: 0.552894479245598
Energy: 0.5504669987940977
Energy: 0.5526026410090582
Energy: 0.5755522115130127
Energy: 0.5593043106630502
Energy: 0.5513174780311267
Energy: 0.5480425210375394
Energy: 0.560199348352636
Energy: 0.53093380945209
Energy: 0.6069791509108924
Energy: 0.5447859950230785
Energy: 0.5445076351589259
Energy: 0.5506476196071299
Energy: 0.5445763779171359
Energy: 0.5508205555104932
Energy: 0.5967630335958418
Energy: 0.5548409982136211
Energy: 0.5538455994396676
Energy: 0.5418965595186501
Energy: 0.55110354381993
Energy: 0.5538649802673941
Energy: 0.5808216522967333
Energy: 0.5541157283999205
Energy: 0.5529820608919053
Energy: 0.5446850847844766
Energy: 0.5532646058650814
Energy: 0.5527227103722026
Energy: 0.5814039827481944
Energy: 0.5444413395601873
Energy: 0.5450169269243824
Energy: 0.5509106666045082
Energy: 0.5447883287146211
Energy: 0.5507054359825879
Energy: 0.5801954826457648
Energy: 0.5537244816733013
Energy: 0.5526774870866561
Energy: 0.5507390248868704
Energy: 0.5533292660356686
Energy: 0.5525971705819188
Energy: 0.5751112248608414
Energy: 0.5496895998565859
Energy: 0.5496336133582097
Energy: 0.5531866341873231
Energy: 0.5607770179417456
Energy: 0.5566799990494852
Energy: 0.5828148653112177
Energy: 0.5508614773312334
Energy: 0.5515997419165782
Energy: 0.5444865524459384
Energy: 0.5506739106896597
Energy: 0.5445845105370529
Energy: 0.5685138661346547
Energy: 0.5540768442875765
Energy: 0.5532270460613193
Energy: 0.5510351451450626
Energy: 0.5448024368956474
Energy: 0.5533634702446912
Energy: 0.568841690247452
Energy: 0.5538924289624517
Energy: 0.552763007339361
Energy: 0.551207274065188
Energy: 0.5526481374375375
Energy: 0.5526627707398558
Energy: 0.5859787263575121
Energy: 0.5477344265785042
Energy: 0.5519167578772644
Energy: 0.5491337117836889
Energy: 0.5478984379192687
Energy: 0.551811696766322
Energy: 0.5883763010653253
Energy: 0.5539428332765581
Energy: 0.5529076601590145
Energy: 0.5488616625704958
Energy: 0.5482328247884649
Energy: 0.5539449496669813
Energy: 0.5793558987196243
Energy: 0.5488434853187563
Energy: 0.553392206661375
Energy: 0.549111228487898
Energy: 0.5488046370657585
Energy: 0.5535209937264187
Energy: 0.5801922440270055
Energy: 0.5488980222021778
Energy: 0.553601915333613
Energy: 0.5494658099784622
Energy: 0.5485201098085994
Energy: 0.5536408273015858
Energy: 0.5877904530267276
Energy: 0.5552290006515052
Energy: 0.5538880874023123
Energy: 0.5494446783738622
Energy: 0.5515077461897393
Energy: 0.5535791453213583
Energy: 0.5968305870217249
Energy: 0.5542835436570318
Energy: 0.5529455466118152
Energy: 0.5453686665659084
Energy: 0.5504855942133356
Energy: 0.5524672938564935
Energy: 0.5758944630666795
Energy: 0.5445543490598757
Energy: 0.5513593544003356
Energy: 0.5563451566807311
Energy: 0.5449212098530627
Energy: 0.5511397740792349

minimum gb energy = 0.53093380945209 eV
minimum distance =  3.18164349550243 Angstroms
sigma value = 33


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

Energy: 0.004764030257649331
Energy: 0.005105885871220101
Energy: 0.005000764513218985
Energy: 0.005521807942552862
Energy: 0.6338487853833039
Energy: 0.005024348000704641
Energy: 0.005113213447792765
Energy: 0.06153136011106901
Energy: 0.06185491275956518
Energy: 0.06271682227088894
Energy: 0.06209550546357803
Energy: 0.06179647159697046
Energy: 0.8289224481998292
Energy: 0.6339697092362117
Energy: 0.6334492126994552
Energy: 0.6340423306393065
Energy: 0.6338736119691499
Energy: 0.6330956665438764
Energy: 0.24914539073546682
Energy: 0.06153136011130694
Energy: 0.06185491275956518
Energy: 0.06271682227065102
Energy: 0.06209550546357803
Energy: 0.06179647159697046

minimum gb energy = 0.004764030257649331 eV
minimum distance =  3.43989496151748 Angstroms
sigma value = 1