Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999177455902
cohesive_energy=3.3532637442064797
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7528613464276998e-19, 2.40180697026306e-19, 2.8819152204075e-19, 3.2641945652798996e-19, 3.58004766690666e-19, 3.8467459894022996e-19, 4.0749760509156e-19, 4.2722841033926997e-19, 4.443749046763379e-19, 4.5932801920146e-19, 4.723825544152919e-19, 4.837772346363e-19, 4.936995145306619e-19, 5.023080095851439e-19, 5.097324961071e-19, 5.16080319931008e-19, 5.21447611654908e-19, 5.259160822871339e-19, 5.29553023246314e-19, 5.324209194211739e-19, 5.345758469939039e-19, 5.3606426908689e-19, 5.369294444692499e-19, 5.372098253802e-19, 5.369086161730079e-19, 5.359296862496339e-19, 5.34143259302724e-19, 5.31395526375414e-19, 5.27499032801526e-19, 5.22224667322398e-19, 5.152952533803479e-19, 5.0636792517569995e-19, 4.950181059004439e-19, 4.8071707726536e-19, 4.62801538143972e-19, 4.404319479800639e-19, 4.12534848428856e-19, 3.77717947995402e-19, 3.34175593613184e-19, 2.79514133391006e-19, 2.1052280535433197e-19, 1.228416062290578e-19, 1.0431643889843281e-20, -1.352211444269856e-19, -3.2640343476164993e-19, -5.813433829403639e-19, -9.2802076082865e-19, -1.4106732674678817e-18, -2.10147896021976e-18, -3.1220654760777596e-18, -4.68357886710684e-18, -7.160127377346e-18, -1.1206648771241758e-17, -1.7829021583151998e-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: 0.01030435950775295
Energy: 0.010910221168012402
Energy: 0.010715564037921697
Energy: 0.012005383272606715
Energy: 0.30258440596232805
Energy: 0.010848315777000576
Energy: 0.010910221168012402
Energy: 0.04634114105776064
Energy: 0.046123588676045914
Energy: 0.046252079744992645
Energy: 0.046246768168869315
Energy: 0.046954773868777576
Energy: 0.010715564037671838
Energy: 0.046123588676045914
Energy: 0.04806812491075633
Energy: 0.011408235205018293
Energy: 0.04621563362378785
Energy: 0.04707718216937671
Energy: 0.012005383272856574
Energy: 0.046252079745714464
Energy: 0.011408235204768434
Energy: 0.012908522492635245
Energy: 0.04645133021174569
Energy: 0.010793686901965192
Energy: 0.3025844059625502
Energy: 0.046246768168869315
Energy: 0.04621563362378785
Energy: 0.04645133021174569
Energy: 0.04622439092320809
Energy: 0.046247213173894186
Energy: 0.010848315777000576
Energy: 0.046954773868777576
Energy: 0.04707718216937671
Energy: 0.010793686901493234
Energy: 0.046247213173894186
Energy: 0.01084338768909972

minimum gb energy = 0.01030435950775295 eV
minimum distance =  2.85698769550894 Angstroms
sigma value = 1


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

Energy: 0.9821905815401399
Energy: 0.7284493303777905
Energy: 0.532127891887921
Energy: 0.59715557009142
Energy: 0.6258471949857863
Energy: 0.8444244012391439
Energy: 0.7556910806967384
Energy: 0.523650448001633
Energy: 0.5235385988191533
Energy: 0.5483935773093896
Energy: 0.528922070548778
Energy: 0.5233602421704291
Energy: 0.8014329458225491
Energy: 0.5243013764216393
Energy: 0.5236545894151734
Energy: 0.5370673046868499
Energy: 0.5245713320148502
Energy: 0.5238001029021863
Energy: 0.8172777178677991
Energy: 0.5099953031651466
Energy: 0.5228608798932212
Energy: 0.5280379735866699
Energy: 0.5150714845785296
Energy: 0.5227262171701892
Energy: 0.7397225233414253
Energy: 0.5481082704442388
Energy: 0.5499071182522003
Energy: 0.5500670070963778
Energy: 0.5480907842061175
Energy: 0.5435059528124703
Energy: 0.7430467952180967
Energy: 0.5490628527450735
Energy: 0.5459446073848866
Energy: 0.5677541499179211
Energy: 0.5504731358760329
Energy: 0.5475073161193749
Energy: 0.7444565139011129
Energy: 0.5669893981901196
Energy: 0.5574471881828414
Energy: 0.5680835261563645
Energy: 0.5800236108239811
Energy: 0.5579105542922481
Energy: 0.6988634700657284
Energy: 0.5522933726481376
Energy: 0.5701161531516632
Energy: 0.5556615940411911
Energy: 0.553701119706134
Energy: 0.5611832672531033
Energy: 0.6272874793286491
Energy: 0.5696558571980684
Energy: 0.5672068785012618
Energy: 0.5508082062448602
Energy: 0.5619356345770746
Energy: 0.5649193556775896
Energy: 0.6319988551244805
Energy: 0.5231287578094093
Energy: 0.5234344883696627
Energy: 0.5264462618853737
Energy: 0.5228549069331334
Energy: 0.5236841349427289
Energy: 0.5932567679663663
Energy: 0.5560353737464676
Energy: 0.5665978738308768
Energy: 0.5935765257360663
Energy: 0.559362806102094
Energy: 0.5080658123352312
Energy: 0.5276330584620407
Energy: 0.5232453093148547
Energy: 0.5231785799166098
Energy: 0.5262731994583202
Energy: 0.5265966626713234
Energy: 0.5234569368520811
Energy: 0.5237999029622507
Energy: 0.5236932850375869
Energy: 0.5240100152429158
Energy: 0.5236486003613433
Energy: 0.523764620165615
Energy: 0.5237616875448131
Energy: 0.5782614497803388
Energy: 0.5476966084572992
Energy: 0.5478430060768237
Energy: 0.5333622720829602
Energy: 0.5287794945414642
Energy: 0.5090957665183479
Energy: 0.5711759002634074
Energy: 0.5234020471937102
Energy: 0.5238345933212091
Energy: 0.5275141977085933
Energy: 0.5384751083342021
Energy: 0.5237785846556103
Energy: 0.5677006191828473
Energy: 0.5314163208566847
Energy: 0.5310467616180621
Energy: 0.5394080952200961
Energy: 0.5485773214962949
Energy: 0.5264638655981015
Energy: 0.7033228577328555
Energy: 0.5425000485537878
Energy: 0.5419945405087192
Energy: 0.5381104513199889
Energy: 0.5431015241226969
Energy: 0.5298151242513582
Energy: 0.6798800897432467
Energy: 0.559896879230607
Energy: 0.5591074267082528
Energy: 0.5625955380237356
Energy: 0.5556750338763748
Energy: 0.5580365394213611
Energy: 0.6800260372230715
Energy: 0.5556604070443386
Energy: 0.5543577184784558
Energy: 0.5619010005269822
Energy: 0.5610162800351803
Energy: 0.5545203288544964
Energy: 0.7619804385264534
Energy: 0.5588435166719485
Energy: 0.555341302720233
Energy: 0.5681772050289818
Energy: 0.5604485696830922
Energy: 0.5474551314888334
Energy: 0.7857271523576157
Energy: 0.5474518851936807
Energy: 0.5313457301559164
Energy: 0.531741470631707
Energy: 0.5564392043630706
Energy: 0.5319599341408718
Energy: 0.7685180170307236
Energy: 0.5382875905434786
Energy: 0.5374031606598999
Energy: 0.5574823340732725
Energy: 0.539846649755027
Energy: 0.536395888080092
Energy: 0.7585255729203767
Energy: 0.5238729137269208
Energy: 0.5236902902846399
Energy: 0.5434176860658044
Energy: 0.5238359640335508
Energy: 0.5234902395438297

minimum gb energy = 0.5080658123352312 eV
minimum distance =  2.60234761009738 Angstroms
sigma value = 33


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

Energy: 1.2348007006812332
Energy: 0.5747399730168243
Energy: 0.8356659208059543
Energy: 0.8345794397729114
Energy: 0.5527196480081271
Energy: 0.7385336247014811
Energy: 0.8077534814556306
Energy: 0.5343976091470377
Energy: 0.5346176250781032
Energy: 0.519344643268684
Energy: 0.5387235051521456
Energy: 0.5786679456645095
Energy: 0.8250781371072687
Energy: 0.5785259067771822
Energy: 0.5542343407086071
Energy: 0.5782675398185123
Energy: 0.5559906634485036
Energy: 0.580946859141814
Energy: 0.8064594518965633
Energy: 0.5747106728529159
Energy: 0.5693138291845711
Energy: 0.5789768737526965
Energy: 0.6151656909408639
Energy: 0.5506702267380511
Energy: 0.748695326282576
Energy: 0.5906411384285819
Energy: 0.5867075722561894
Energy: 0.5775419063871977
Energy: 0.5826531330489848
Energy: 0.5869129447008057
Energy: 0.7680614054906891
Energy: 0.5763632375089494
Energy: 0.590800334376693
Energy: 0.6042745138502436
Energy: 0.5903387911699296
Energy: 0.5868030922618188
Energy: 0.7664572396684944
Energy: 0.5903813696160624
Energy: 0.5907551629859991
Energy: 0.5866462650859252
Energy: 0.5923637530190868
Energy: 0.5925561710963589
Energy: 0.7180336105980898
Energy: 0.5842951594899157
Energy: 0.5870324804179244
Energy: 0.6207858810207222
Energy: 0.5867637949063831
Energy: 0.5970779149964004
Energy: 0.6513062754050055
Energy: 0.5837943761411942
Energy: 0.5870398372160422
Energy: 0.5883093730453488
Energy: 0.5836507296267984
Energy: 0.5850036036739744
Energy: 0.657016961108518
Energy: 0.5698818570289609
Energy: 0.569005145400139
Energy: 0.5690179828684425
Energy: 0.569148263688714
Energy: 0.5704091120777961
Energy: 0.6128575476505225
Energy: 0.5307209388219668
Energy: 0.5297670251798982
Energy: 0.6431155563761258
Energy: 0.5434820952981794
Energy: 0.5319302776583877
Energy: 0.580414950256032
Energy: 0.5435460383390825
Energy: 0.5695229801140923
Energy: 0.5776600974865536
Energy: 0.5439992637215453
Energy: 0.5695933586150297
Energy: 0.5806367886897449
Energy: 0.5746264674973747
Energy: 0.5731300470807694
Energy: 0.5772423635722821
Energy: 0.5829808732106774
Energy: 0.5742972559890953
Energy: 0.6443571822672493
Energy: 0.5907919305150068
Energy: 0.6114988696019293
Energy: 0.627186141681799
Energy: 0.590345511005277
Energy: 0.5646602666023912
Energy: 0.6299874673095517
Energy: 0.5880080321245547
Energy: 0.5882630386074662
Energy: 0.5897447308874089
Energy: 0.5971400552640719
Energy: 0.5952354552722458
Energy: 0.6268997897066988
Energy: 0.6038869580136689
Energy: 0.5924686382619905
Energy: 0.5901885812540044
Energy: 0.5958936957862025
Energy: 0.5988355390590768
Energy: 0.7303953233009624
Energy: 0.5934378924930847
Energy: 0.6002034976326247
Energy: 0.5934852316986314
Energy: 0.5971076314008763
Energy: 0.5483456342572843
Energy: 0.7182841563183543
Energy: 0.5970169355037717
Energy: 0.5942697538768178
Energy: 0.5824131721811237
Energy: 0.6139718927361588
Energy: 0.5736079067564664
Energy: 0.7187560237787859
Energy: 0.5492867897431509
Energy: 0.5866037003391584
Energy: 0.5836561931626534
Energy: 0.569465518380218
Energy: 0.556802572254861
Energy: 0.6704291341064659
Energy: 0.5398980138236554
Energy: 0.5792720036052091
Energy: 0.5662269491494638
Energy: 0.5402554640516694
Energy: 0.5210430912628498
Energy: 0.8081397744482427
Energy: 0.510251063630089
Energy: 0.5283184991446859
Energy: 0.5446616611236823
Energy: 0.5150190810064353
Energy: 0.5072913898485846
Energy: 0.8205190430822444
Energy: 0.5240670550274925
Energy: 0.5206914778372561
Energy: 0.5450592136127951
Energy: 0.5226892906970774
Energy: 0.5206197683332063
Energy: 0.7065852909224866
Energy: 0.547777710011641
Energy: 0.573011064521467
Energy: 0.5839170047044351
Energy: 0.557624416931648
Energy: 0.5343186275254059
Energy: 0.9999741203363474
Energy: 0.5949495884176921
Energy: 0.595428111537823
Energy: 0.7478553496648288
Energy: 0.6450628339391669
Energy: 0.7485045511020714
Energy: 0.7314809001508712
Energy: 0.5833372476418706
Energy: 0.5881114164856819
Energy: 0.5975184706153218
Energy: 0.5904850735064177
Energy: 0.582142250467619
Energy: 0.7715183340486315
Energy: 0.5959158248135492
Energy: 0.5932736871142529
Energy: 0.5873227088450446
Energy: 0.5886320474630559
Energy: 0.6102724215273919
Energy: 0.7694782758908788
Energy: 0.5763587153225441
Energy: 0.598194866122256
Energy: 0.5851904380664605
Energy: 0.593725290149557
Energy: 0.5822654372583976
Energy: 0.7265827720886815
Energy: 0.5839732409035343
Energy: 0.5805348224320731
Energy: 0.6068547886040133
Energy: 0.5833775783624415
Energy: 0.6057336088381255
Energy: 0.6525741869599659
Energy: 0.5831334017684598
Energy: 0.5848992928845783
Energy: 0.5931015824689907
Energy: 0.5844446409698265
Energy: 0.5892045964782582
Energy: 0.6468046524907954
Energy: 0.5824475247515281
Energy: 0.5828020817945476
Energy: 0.5832403784016934
Energy: 0.5846867446255976
Energy: 0.5854921071061333
Energy: 0.6576591736359773
Energy: 0.5439535185210148
Energy: 0.5438901791971529
Energy: 0.5727159934382887
Energy: 0.5442877214234813
Energy: 0.5361108677220828
Energy: 0.5832920301118444
Energy: 0.5446023733562533
Energy: 0.5434803007851274
Energy: 0.5766851942854805
Energy: 0.5442870705327308
Energy: 0.5699688661351192
Energy: 0.5854914883387228
Energy: 0.570213465047332
Energy: 0.5707955664036144
Energy: 0.5743880227389588
Energy: 0.589924709756391
Energy: 0.5700375716010445
Energy: 0.5864000677377631
Energy: 0.7487000760260014
Energy: 0.7108671091966872
Energy: 0.5807812774545388
Energy: 0.7366181588662101
Energy: 0.5847087964066421
Energy: 0.6285976994933075
Energy: 0.5808905175458134
Energy: 0.5826033532658462
Energy: 0.5836612308967664
Energy: 0.5831451077581266
Energy: 0.5818094439317358
Energy: 0.6329903599281439
Energy: 0.5829655856381906
Energy: 0.5931803557455189
Energy: 0.6001048252168474
Energy: 0.600819706861803
Energy: 0.5827295197236374
Energy: 0.6276103491016094
Energy: 0.598294833967198
Energy: 0.5694484661228597
Energy: 0.595324551514043
Energy: 0.6014763559938185
Energy: 0.5872709010212159
Energy: 0.7189009925298419
Energy: 0.596426960426092
Energy: 0.5885320674660524
Energy: 0.5826191938467774
Energy: 0.5920881382428959
Energy: 0.5954909455168015
Energy: 0.7183419196819796
Energy: 0.5983131124994115
Energy: 0.5557332741073145
Energy: 0.5863489007813684
Energy: 0.5675757154033853
Energy: 0.5698463188354563
Energy: 0.7952246755833036
Energy: 0.5912151535155469
Energy: 0.5498488841531476
Energy: 0.5383929797431452
Energy: 0.548708470159605
Energy: 0.5924009012146213
Energy: 0.7891111223893736
Energy: 0.54276626158485
Energy: 0.5156352123995984
Energy: 0.5191127770383298
Energy: 0.5229538658561056
Energy: 0.5409671332964786

minimum gb energy = 0.5072913898485846 eV
minimum distance =  2.43297411736989 Angstroms
sigma value = 51


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

Energy: 1.0149046398911554
Energy: 0.7953230649420617
Energy: 0.5369974937358049
Energy: 0.7659736775127461
Energy: 0.6720250139532514
Energy: 0.76683438141417
Energy: 0.7689855700036026
Energy: 0.5437100708625167
Energy: 0.5384248526748469
Energy: 0.4994638720058557
Energy: 0.5436499116239668
Energy: 0.5388456886849717
Energy: 0.7740188765226726
Energy: 0.5490322699757579
Energy: 0.5489582555630607
Energy: 0.5512091872397249
Energy: 0.5490958044580929
Energy: 0.5192911576819607
Energy: 0.74944008126499
Energy: 0.5252579479637927
Energy: 0.5024253294479443
Energy: 0.5149057948922894
Energy: 0.5373164530334479
Energy: 0.5254070250257762
Energy: 0.7100922221830538
Energy: 0.5576003064681239
Energy: 0.558306614837074
Energy: 0.535365696033065
Energy: 0.5408561229765659
Energy: 0.5388774875968162
Energy: 0.6633171374732841
Energy: 0.5794858302285206
Energy: 0.5535357293219987
Energy: 0.5774734739335455
Energy: 0.5729890013749748
Energy: 0.5530408511542608
Energy: 0.6756482502366802
Energy: 0.5380569509087069
Energy: 0.536469380988092
Energy: 0.5559832597128054
Energy: 0.526050829063747
Energy: 0.5660307408344161
Energy: 0.6768433222479959
Energy: 0.5110361723151349
Energy: 0.5112347860940809
Energy: 0.5598381610982575
Energy: 0.5732889053941054
Energy: 0.5112814028744683
Energy: 0.5492952931046187
Energy: 0.5847662868225524
Energy: 0.5470771511298504
Energy: 0.5493305133171447
Energy: 0.5648688888187244
Energy: 0.519054242426811
Energy: 0.5440717994863333
Energy: 0.5200682397619617
Energy: 0.519808607377071
Energy: 0.5434980869807473
Energy: 0.49847516737447123
Energy: 0.5390094524054114
Energy: 0.5424490502056205
Energy: 0.5023884052983962
Energy: 0.5025507892879243
Energy: 0.542440520995684
Energy: 0.5362948820771021
Energy: 0.5139774113760868
Energy: 0.593554399395344
Energy: 0.5194762747427313
Energy: 0.5198329651052004
Energy: 0.5389965415637429
Energy: 0.5562442788437759
Energy: 0.5199104888838696
Energy: 0.5897792566782895
Energy: 0.5760162788103677
Energy: 0.5785694438321003
Energy: 0.5592893855516329
Energy: 0.5972334886941972
Energy: 0.5342383226877295
Energy: 0.5972833123053926
Energy: 0.584431955161036
Energy: 0.5850274489610968
Energy: 0.5570891481871568
Energy: 0.6049934836901028
Energy: 0.5852103080664822
Energy: 0.7011933059899131
Energy: 0.5754964794025302
Energy: 0.565844875094332
Energy: 0.5802850733592501
Energy: 0.5857898868597163
Energy: 0.5724074850036851
Energy: 0.7120226961513171
Energy: 0.5619033299276734
Energy: 0.539030287274224
Energy: 0.5182257833434282
Energy: 0.5621556545910783
Energy: 0.5501964954681619
Energy: 0.784809545873458
Energy: 0.5569129254506516
Energy: 0.5571488599315223
Energy: 0.5346008109924524
Energy: 0.5593030706403279
Energy: 0.5568185274084481
Energy: 0.7851133297757686
Energy: 0.5195589991616939
Energy: 0.4908192081775999
Energy: 0.5624087368359729
Energy: 0.5195432245669983
Energy: 0.49097998967987994

minimum gb energy = 0.4908192081775999 eV
minimum distance =  2.59894556326597 Angstroms
sigma value = 19


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

Energy: 0.8314818789798534
Energy: 0.5201034158836642
Energy: 0.6648937724015452
Energy: 0.6566832183534592
Energy: 0.508231201008079
Energy: 0.6570116623251204
Energy: 0.7803068691969441
Energy: 0.5150708364906134
Energy: 0.5151244381421947
Energy: 0.53035619816192
Energy: 0.5076184993306456
Energy: 0.514945479240552
Energy: 0.5995148597353872
Energy: 0.5146192661499434
Energy: 0.5150188425837029
Energy: 0.5295378749723376
Energy: 0.5146738193552793
Energy: 0.5160421054968362
Energy: 0.6665910693415794
Energy: 0.5144922501346002
Energy: 0.5146591654266246
Energy: 0.5827593709586343
Energy: 0.5145133426919462
Energy: 0.514727318449695
Energy: 0.6466278841421091
Energy: 0.515275197922169
Energy: 0.5085052193587463
Energy: 0.5606951106413837
Energy: 0.5084698083164698
Energy: 0.5151957898141123
Energy: 0.5995934855541704
Energy: 0.49763830257367975
Energy: 0.521236411143505
Energy: 0.5090836500343946
Energy: 0.49767134874829333
Energy: 0.5207633423347567
Energy: 0.5995876281857262
Energy: 0.5300477127587434
Energy: 0.5154716192238752
Energy: 0.5159292247902266
Energy: 0.5304223934950542
Energy: 0.515156833161512
Energy: 0.554420990505297
Energy: 0.49776114596183435
Energy: 0.4649740992404395
Energy: 0.554776415425669
Energy: 0.4975989226533517
Energy: 0.4843097219732884
Energy: 0.5079063841370786
Energy: 0.5286136996878624
Energy: 0.5170349268174751
Energy: 0.5078157711694865
Energy: 0.523241388431685
Energy: 0.5285033462308739
Energy: 0.5145743149743012
Energy: 0.5253465329423617
Energy: 0.5155148683111184
Energy: 0.5154886882789615
Energy: 0.5080010306682965
Energy: 0.5246420328926674
Energy: 0.5146640884333232
Energy: 0.5806369577569503
Energy: 0.5821464433077689
Energy: 0.5146514627706062
Energy: 0.5804550512564153
Energy: 0.5149989248029155
Energy: 0.5547529790670191
Energy: 0.5306886404822535
Energy: 0.5303405026312098
Energy: 0.515799772423262
Energy: 0.5296629043562755
Energy: 0.5159072662209799
Energy: 0.49754309513753103
Energy: 0.5204548302177213
Energy: 0.5211385201424735
Energy: 0.4991842600540455
Energy: 0.5086473729431803
Energy: 0.5207583314847992
Energy: 0.5623944438912556
Energy: 0.5826350929822064
Energy: 0.5826177309178324
Energy: 0.5101262687871146
Energy: 0.5827801656489242
Energy: 0.5822415308073806
Energy: 0.7842708440964125
Energy: 0.5157343487160073
Energy: 0.5299693030038687
Energy: 0.5253940981852995
Energy: 0.5091030218351994
Energy: 0.5277495740072908
Energy: 0.7010544351509682
Energy: 0.5152316787539665
Energy: 0.4977902727004205
Energy: 0.4976836831354007
Energy: 0.5145147988425621
Energy: 0.46487663674150825
Energy: 0.6467910100530061
Energy: 0.5150708841124486
Energy: 0.5150260812877118
Energy: 0.5801510606973195
Energy: 0.5090246522256023
Energy: 0.5150880763667125
Energy: 0.5986832628067673
Energy: 0.5146298712549658
Energy: 0.5146659480471089
Energy: 0.5061894019886154
Energy: 0.5146209640096361
Energy: 0.5149602389484079
Energy: 0.5985991900169508
Energy: 0.5159440565869112
Energy: 0.5162943701054661
Energy: 0.5063023605302465
Energy: 0.5151153055982725
Energy: 0.5471216648997789
Energy: 0.6468971746354272
Energy: 0.49759987793341726
Energy: 0.5146685898857764
Energy: 0.5014655152388061
Energy: 0.4976047034899929
Energy: 0.5205109728534512
Energy: 0.6658191351011463
Energy: 0.5083304087079767
Energy: 0.522147271469397
Energy: 0.5820182817408897
Energy: 0.508922085163245
Energy: 0.5820521618236113
Energy: 0.6465584706008904
Energy: 0.5301496999819986
Energy: 0.5301239162358221
Energy: 0.5153080029845617
Energy: 0.5304703934779726
Energy: 0.5152210731709974
Energy: 0.5541139191425867
Energy: 0.6591797197132115
Energy: 0.6570962618068832
Energy: 0.5546125371238003
Energy: 0.6567139045235642
Energy: 0.6583670283293536
Energy: 0.5077970209875554
Energy: 0.5154897960864285
Energy: 0.5150658476182842
Energy: 0.5076347437489813
Energy: 0.5230504893056398
Energy: 0.5150233790659494
Energy: 0.5145721174480924
Energy: 0.5305465536131275
Energy: 0.5161164220668109
Energy: 0.514668596968056
Energy: 0.5293499640298338
Energy: 0.5146480139228713
Energy: 0.5540422704685927
Energy: 0.5822069226679655
Energy: 0.5803101572891113
Energy: 0.5547962505806869
Energy: 0.5819284671913398
Energy: 0.5146480777173933
Energy: 0.613153909589107
Energy: 0.5296592260503352
Energy: 0.5302289827591394
Energy: 0.5158166769712339
Energy: 0.5299019370128843
Energy: 0.5084848090134482
Energy: 0.49771952519218043
Energy: 0.5208734905011648
Energy: 0.521790967781058
Energy: 0.49764214096066517
Energy: 0.5081796265899265
Energy: 0.5204035059392584
Energy: 0.5576444968841527
Energy: 0.5253741062813334
Energy: 0.5156871591051987
Energy: 0.5295967831271287
Energy: 0.515912271081284
Energy: 0.5296793857761166
Energy: 0.7028456964553512
Energy: 0.5147586933059872
Energy: 0.4842723255779275
Energy: 0.5117372287973073
Energy: 0.5546726121829038
Energy: 0.4843128994462705

minimum gb energy = 0.46487663674150825 eV
minimum distance =  2.69731451770465 Angstroms
sigma value = 27


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

Energy: 0.7049719970442941
Energy: 0.5721771292495853
Energy: 0.5728940023451401
Energy: 0.606076638129913
Energy: 0.5613266811768552
Energy: 0.8195320380693722
Energy: 0.7962794156570838
Energy: 0.5396508706141668
Energy: 0.5394052553878768
Energy: 0.5139026563992314
Energy: 0.5398807876543078
Energy: 0.5398563492395774
Energy: 0.6263998682159979
Energy: 0.5367153110406986
Energy: 0.5368648140786046
Energy: 0.5288265787619559
Energy: 0.5383883033987821
Energy: 0.5364660100207712
Energy: 0.5284300352490209
Energy: 0.5372981274190094
Energy: 0.5085888636071184
Energy: 0.5723745103662877
Energy: 0.6301385720619836
Energy: 0.5074961643370555
Energy: 0.6564669714127351
Energy: 0.544788966678036
Energy: 0.5149603316875322
Energy: 0.5136244713025905
Energy: 0.5486171598249474
Energy: 0.5664183863502791
Energy: 0.5392527424361093
Energy: 0.5807138365504586
Energy: 0.4637537738887393
Energy: 0.5371778102432503
Energy: 0.5831070302018233
Energy: 0.49616587410864105
Energy: 0.5416225604684562
Energy: 0.5168240956624736
Energy: 0.540018253788108
Energy: 0.5422339942437743
Energy: 0.5141152364741122
Energy: 0.5398430172819505
Energy: 0.5720512906129916
Energy: 0.5724284257152414
Energy: 0.507127049468709
Energy: 0.5722615071899335
Energy: 0.5722772285988535
Energy: 0.5371111528281586
Energy: 0.6584147675691089
Energy: 0.5630142740077362
Energy: 0.5160055363611883
Energy: 0.5721539086770439
Energy: 0.5646987775012489
Energy: 0.5718128724456674
Energy: 0.5285294002653199
Energy: 0.5425773194793325
Energy: 0.5124226931722065
Energy: 0.5738841034400728
Energy: 0.5738913745380955
Energy: 0.5125211675094004
Energy: 0.6301473331725926
Energy: 0.5671218538727815
Energy: 0.5674298336160469
Energy: 0.5375967447819396
Energy: 0.5655000078925775
Energy: 0.5669111959266431
Energy: 0.796279415612195
Energy: 0.5402908013337739
Energy: 0.539551629539675
Energy: 0.5161848620776281
Energy: 0.5400043789371263
Energy: 0.539202080049057

minimum gb energy = 0.4637537738887393 eV
minimum distance =  2.66152660960729 Angstroms
sigma value = 9


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

Energy: 1.0985884925131286
Energy: 0.6063492452350251
Energy: 0.5829482858431194
Energy: 0.6574785928674328
Energy: 0.710719480384387
Energy: 0.6542004560847565
Energy: 0.6888613648126835
Energy: 0.5058918194530183
Energy: 0.5064099415774492
Energy: 0.5211886308398511
Energy: 0.5358186961355024
Energy: 0.5170381237356345
Energy: 0.6474249371381069
Energy: 0.4977783597213234
Energy: 0.49422856330489273
Energy: 0.5127646218096708
Energy: 0.4962993285988926
Energy: 0.4940314213869234
Energy: 0.644257976782215
Energy: 0.502081244557373
Energy: 0.5401530723447554
Energy: 0.5553422600248002
Energy: 0.5457122483704551
Energy: 0.545818235294261
Energy: 0.651526449285715
Energy: 0.5910775932391935
Energy: 0.5598312950421204
Energy: 0.5418979280902426
Energy: 0.5913827012248712
Energy: 0.5607124522989848
Energy: 0.5356078397400609
Energy: 0.58374583127707
Energy: 0.5343447977912256
Energy: 0.5362352908293643
Energy: 0.5865402583834477
Energy: 0.5422942709381602
Energy: 0.5345903491597412
Energy: 0.5239886630079864
Energy: 0.5239189309882081
Energy: 0.5355576568387643
Energy: 0.5026179575121882
Energy: 0.5254158188798005
Energy: 0.5256344429368581
Energy: 0.5558302691432991
Energy: 0.5506163944037742
Energy: 0.5254478159068162
Energy: 0.5538535124885777
Energy: 0.5254678141181702
Energy: 0.6810398879669679
Energy: 0.5410100314130976
Energy: 0.5751569084725116
Energy: 0.5169377937131818
Energy: 0.5403502270599089
Energy: 0.5523149422072959
Energy: 0.6852938561590114
Energy: 0.508492625643854
Energy: 0.5512921960264976
Energy: 0.5879663452908986
Energy: 0.5786432724632864
Energy: 0.5626844045385884
Energy: 0.6858324364402746
Energy: 0.5184969380986287
Energy: 0.5136746019041312
Energy: 0.5003305695259909
Energy: 0.5173294265853168
Energy: 0.5437345556342676
Energy: 0.694595348669573
Energy: 0.5340822068871267
Energy: 0.534098353197797
Energy: 0.5254948134787085
Energy: 0.5377875954744233
Energy: 0.5328776874609977
Energy: 0.974724127674369
Energy: 0.6130179744929414
Energy: 0.6137659956665339
Energy: 0.5668060153796005
Energy: 0.6146973155854398
Energy: 0.6210770953132019
Energy: 0.6102480461560709
Energy: 0.4964193147172671
Energy: 0.564029537052637
Energy: 0.48940559263481587
Energy: 0.504920943920515
Energy: 0.5145791013966193
Energy: 0.5078401801642682
Energy: 0.5317477581668631
Energy: 0.5344511007020525
Energy: 0.5084428829862364
Energy: 0.5297971849769165
Energy: 0.5628350190894597
Energy: 0.49655265196885473
Energy: 0.5250424601944619
Energy: 0.5240100910763168
Energy: 0.4969953976387749
Energy: 0.508194235522538
Energy: 0.4944862656852507
Energy: 0.5436876316221271
Energy: 0.6056768941411268
Energy: 0.5463705891073549
Energy: 0.5440103044450776
Energy: 0.6116848202845417
Energy: 0.5240592975298646
Energy: 0.6036717870326382
Energy: 0.6180853292480346
Energy: 0.5249431314086778
Energy: 0.6035173277368935
Energy: 0.565780077333412
Energy: 0.5385668689533281
Energy: 0.5393318480555653
Energy: 0.5219277464540099
Energy: 0.5394229445105277
Energy: 0.49578251971662446
Energy: 0.5280009631299704
Energy: 0.49566866455969394
Energy: 0.539003973279813
Energy: 0.5080246832296089
Energy: 0.5127507097069725
Energy: 0.5071556605551196
Energy: 0.5062778786646982
Energy: 0.5141005314589535
Energy: 0.5496785727939287
Energy: 0.49550105711778214
Energy: 0.494802148600731
Energy: 0.4960666116228327
Energy: 0.4950239725368299
Energy: 0.5700620189974719
Energy: 0.5857250533042011
Energy: 0.5249988527855498
Energy: 0.5363963366850231
Energy: 0.5945689495892539
Energy: 0.5836322624711956
Energy: 0.5441200826837099
Energy: 0.5876682291506835
Energy: 0.524906552993366
Energy: 0.5244948600663377
Energy: 0.5925537701406638
Energy: 0.5442562270798975
Energy: 0.5287988764889976
Energy: 0.551568633867208
Energy: 0.4942932701916439
Energy: 0.4949937475252604
Energy: 0.5089302041791639
Energy: 0.49916066785595525
Energy: 0.4948328633156199
Energy: 0.7199685007137308
Energy: 0.4941774212066188
Energy: 0.5701871784574383
Energy: 0.5607228868851941
Energy: 0.49493436257000345
Energy: 0.5615799241560882
Energy: 0.6812292220016544
Energy: 0.5066848453938692
Energy: 0.5013020339928596
Energy: 0.514409889551421
Energy: 0.49670659889697305
Energy: 0.5897883986204464
Energy: 0.602541172138995
Energy: 0.5870812369408117
Energy: 0.5871094349993603
Energy: 0.6029176442260926
Energy: 0.5876025210109961
Energy: 0.5738227015256183
Energy: 0.5437168943588068
Energy: 0.5395965229227703
Energy: 0.5908973900167475
Energy: 0.5444362205192322
Energy: 0.5017549371569103
Energy: 0.5412093187306048
Energy: 0.5278534181416168
Energy: 0.5492212051419796
Energy: 0.5237421153018279
Energy: 0.528293392689212
Energy: 0.5399353299985841
Energy: 0.5246152446366593
Energy: 0.6210415757203126
Energy: 0.5527955322010455
Energy: 0.552419087548521
Energy: 0.6126820670862844
Energy: 0.5540239198186421
Energy: 0.5085736444629955
Energy: 0.4881391174067796
Energy: 0.5124021239676914
Energy: 0.5533449098474923
Energy: 0.4873519254720229
Energy: 0.5093565113070265
Energy: 0.571928495620193
Energy: 0.6864096371047141
Energy: 0.5134226007413414
Energy: 0.5132907774369967
Energy: 0.5881796810815213
Energy: 0.5135496948876447
Energy: 0.5631876960497758
Energy: 0.6111980136513072
Energy: 0.5354793696829858
Energy: 0.5338027636616198
Energy: 0.49463471978891077
Energy: 0.5356875822240426
Energy: 0.5248943325432666
Energy: 0.6358191641802594
Energy: 0.5328713381656005
Energy: 0.5328287733953966
Energy: 0.5903500947774618
Energy: 0.5327390596416524
Energy: 0.5079659641753855
Energy: 0.5438708504142008
Energy: 0.5406997977361513
Energy: 0.5194655738835413
Energy: 0.5403082073562352
Energy: 0.5419253885380363
Energy: 0.5686171890316266
Energy: 0.5416691659391486
Energy: 0.5217053766926472
Energy: 0.5465499430454428
Energy: 0.5366962996963016
Energy: 0.5211629096876841
Energy: 0.5085753683012526
Energy: 0.49509104561468964
Energy: 0.5026421651302796
Energy: 0.47456948520566605
Energy: 0.49599247944367064
Energy: 0.5127864061307267
Energy: 0.4945846391174694
Energy: 0.5435002975652706
Energy: 0.5342228857207736
Energy: 0.4951441692167293
Energy: 0.5435938163162534
Energy: 0.536123117316294
Energy: 0.5154322716259029
Energy: 0.6701866812620026
Energy: 0.6219776681885038
Energy: 0.6207508779333464
Energy: 0.6703735809383606
Energy: 0.6154039798254993
Energy: 0.6536349966026822
Energy: 0.6069336436772137
Energy: 0.5398066679280918
Energy: 0.5403650558032944
Energy: 0.5438880956173431
Energy: 0.5347815866331386
Energy: 0.5020854496978234
Energy: 0.5387989038659972
Energy: 0.5133808549597282
Energy: 0.5095653319144918
Energy: 0.5108430798338682
Energy: 0.5064661283278383
Energy: 0.5100378212754719
Energy: 0.5495650514569901
Energy: 0.5085786130622052
Energy: 0.5130061586361764
Energy: 0.5053532066048176
Energy: 0.5080184393182879
Energy: 0.5115334616527133
Energy: 0.5879369374908149
Energy: 0.509900330056402
Energy: 0.5091179844104224
Energy: 0.5918257191189387
Energy: 0.5439675121763727
Energy: 0.5193141276439139

minimum gb energy = 0.47456948520566605 eV
minimum distance =  2.59029473547678 Angstroms
sigma value = 57


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

Energy: 0.3069923424272939
Energy: 0.3136180202323374
Energy: 0.4024517670336711
Energy: 0.30852616294532015
Energy: 0.647984808651473
Energy: 0.3073461800846071
Energy: 0.307278218627998
Energy: 0.3142823983100283
Energy: 0.3132413153726769
Energy: 0.3277673593682326
Energy: 0.314883158142532
Energy: 0.31318407243908053
Energy: 0.3491148742749435
Energy: 0.32652377069461164
Energy: 0.32683823260599776
Energy: 0.3300000578979572
Energy: 0.32638402359677826
Energy: 0.32697366953525364
Energy: 0.3491122980931292
Energy: 0.32642813592919606
Energy: 0.32677301838681455
Energy: 0.3497722235341868
Energy: 0.326275029585385
Energy: 0.32688430315449934
Energy: 0.3496849163456368
Energy: 0.30802365020639877
Energy: 0.32516504743480956
Energy: 0.3283641064656731
Energy: 0.3072102095007302
Energy: 0.3133855232651059
Energy: 0.3262193082259382
Energy: 0.307299307666634
Energy: 0.3078460987559051
Energy: 0.31256188725350786
Energy: 0.31151454698005143
Energy: 0.3217025955789693
Energy: 0.325994888927571
Energy: 0.31348921810674757
Energy: 0.31364267956158626
Energy: 0.33307859253201694
Energy: 0.31475694552980094
Energy: 0.31323238518600116
Energy: 0.32613855708214734
Energy: 0.34952562792137476
Energy: 0.3504736560853436
Energy: 0.3260578183064836
Energy: 0.34918803040200885
Energy: 0.3266369712588847
Energy: 0.34937387227429434
Energy: 0.33200457462609356
Energy: 0.3324257436963161
Energy: 0.3264624202515236
Energy: 0.31335872153488115
Energy: 0.3281361390889846
Energy: 0.31124584917594317
Energy: 0.3133312824908777
Energy: 0.3229127460923971
Energy: 0.3121088417878876
Energy: 0.3286171361460879
Energy: 0.3220480091164534
Energy: 0.30711463614429646
Energy: 0.3144779688714811
Energy: 0.32416275030592245
Energy: 0.30716046641916117
Energy: 0.3150614251126505
Energy: 0.32406622860878415
Energy: 0.35182831474097775
Energy: 0.3326926151939541
Energy: 0.3322341588188734
Energy: 0.3145954845057719
Energy: 0.3275953171984975
Energy: 0.3322321449648168
Energy: 0.5205153187174407
Energy: 0.3507381763593977
Energy: 0.3495765983191409
Energy: 0.34933486330432684
Energy: 0.35081770148061353
Energy: 0.34947073981844384
Energy: 0.350028862427283
Energy: 0.332611654784417
Energy: 0.3326880085136637
Energy: 0.3150546747052173
Energy: 0.32786177884613465
Energy: 0.33410716445446337
Energy: 0.34907923950107617
Energy: 0.3071086917538208
Energy: 0.3072387400711203
Energy: 0.3292616926191618
Energy: 0.31020275397712077
Energy: 0.30771192360758365
Energy: 0.32852663023252765
Energy: 0.32414145865752014
Energy: 0.32300043515307125
Energy: 0.31422347378354154
Energy: 0.30728510669911197
Energy: 0.31349686265470955
Energy: 0.3260923104227424
Energy: 0.3330215914689958
Energy: 0.327678806989462
Energy: 0.3263377021802708
Energy: 0.313776594626602
Energy: 0.32724766605626543
Energy: 0.3505464774647802
Energy: 0.3507693155051244
Energy: 0.32717612308155775
Energy: 0.326624320533459
Energy: 0.3496838146791356
Energy: 0.3265619070890621
Energy: 0.30721423136645
Energy: 0.3131277495094489
Energy: 0.31356620075542546
Energy: 0.3072475787635281
Energy: 0.3145145408069159
Energy: 0.3133216102997096

minimum gb energy = 0.3069923424272939 eV
minimum distance =  2.68823258325695 Angstroms
sigma value = 11


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

Energy: 0.7096711172088291
Energy: 0.6644643565333083
Energy: 0.6050301123222505
Energy: 0.5864009695856248
Energy: 0.6360750988854517
Energy: 0.6865049046233915
Energy: 0.49342374403736516
Energy: 0.46859954223352585
Energy: 0.4601740729814029
Energy: 0.46377919044950255
Energy: 0.4759769483329233
Energy: 0.4604865153769445
Energy: 0.4723274597914144
Energy: 0.45952078339648644
Energy: 0.46474867536761344
Energy: 0.4590029103289637
Energy: 0.4586885561212209
Energy: 0.4771265253960866
Energy: 0.4708096175824064
Energy: 0.4558819200236177
Energy: 0.47813576640027405
Energy: 0.45942654832834573
Energy: 0.4861287091979819
Energy: 0.46877907271988134
Energy: 0.4719022767191779
Energy: 0.5076931987697243
Energy: 0.46302465538500853
Energy: 0.47185177627729447
Energy: 0.4859578329523063
Energy: 0.46757442810597755
Energy: 0.6225335602876793
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Energy: 0.5793313870776304
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Energy: 0.510236490124981
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Energy: 0.46736521278629267
Energy: 0.4674710271164977
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Energy: 0.46719545260666806
Energy: 0.46664944885747905
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Energy: 0.4950259762487599
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Energy: 0.47149896998001534
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Energy: 0.48120000719480616
Energy: 0.4792388270048405
Energy: 0.49692115296304296
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Energy: 0.479360172768806
Energy: 0.550624578167832
Energy: 0.5529949812958544
Energy: 0.5513645643075987
Energy: 0.550758945139567
Energy: 0.5450461517487286
Energy: 0.5510896705673065
Energy: 0.6618909028691897
Energy: 0.5097295907221809
Energy: 0.49254642710034824
Energy: 0.5184094728480841
Energy: 0.5028253298127738
Energy: 0.49166202181115304
Energy: 0.638755718413677
Energy: 0.555472243013751
Energy: 0.5369598794582772
Energy: 0.5226376334781403
Energy: 0.5829999289595854
Energy: 0.5583658532313526
Energy: 0.7265534816239048
Energy: 0.502610291598942
Energy: 0.5051381294420979
Energy: 0.48659595450794757
Energy: 0.5019962752603406
Energy: 0.49978988647004197
Energy: 0.6708710842510635
Energy: 0.5047368612627775
Energy: 0.4952226878594498
Energy: 0.4734973645055338
Energy: 0.49896673564298827
Energy: 0.500703489501145
Energy: 0.5666314677480345
Energy: 0.5315728919723834
Energy: 0.5385043543591795
Energy: 0.49220331050475014
Energy: 0.5350637520263414
Energy: 0.5504835663775912
Energy: 0.6617485502496653
Energy: 0.503838170496137
Energy: 0.5523860338414194
Energy: 0.5392512405442034
Energy: 0.517687729197165
Energy: 0.469686825052133
Energy: 0.6121448115505078
Energy: 0.5705475040637735
Energy: 0.5806800780338212
Energy: 0.612061393968052
Energy: 0.5705169237922211
Energy: 0.5691439271139865
Energy: 0.46209863383292366
Energy: 0.459495826219654
Energy: 0.45975254436502866
Energy: 0.46651624431026806
Energy: 0.47986936359453664
Energy: 0.46363617539567914
Energy: 0.467605495409107
Energy: 0.4997249228460366
Energy: 0.47502611074852596
Energy: 0.46984381897535643
Energy: 0.45886398901836195
Energy: 0.48036952586181303
Energy: 0.4771440780924104
Energy: 0.4635176094830517
Energy: 0.5091319772980776
Energy: 0.47756090383994426
Energy: 0.4606915589877474
Energy: 0.5103931602287226
Energy: 0.5727282021663187
Energy: 0.46764631914764104
Energy: 0.46528042865400376
Energy: 0.511837602467842
Energy: 0.4756029936707097
Energy: 0.45314501228403414

minimum gb energy = 0.45314501228403414 eV
minimum distance =  2.52220666702841 Angstroms
sigma value = 41


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

Energy: 0.8355188594466179
Energy: 0.6155120077208404
Energy: 0.6129026364847923
Energy: 0.5711163608717981
Energy: 0.677346566352136
Energy: 0.5566430093849419
Energy: 0.5844447795028092
Energy: 0.4863615282773441
Energy: 0.4865373113354626
Energy: 0.4784058188114662
Energy: 0.4985154053014029
Energy: 0.4859877159392288
Energy: 0.5057746370076848
Energy: 0.47838851680674227
Energy: 0.4791227709474835
Energy: 0.4784440282880684
Energy: 0.473092792989081
Energy: 0.46950313181314374
Energy: 0.49846598360385663
Energy: 0.47264854842822984
Energy: 0.4740171480315546
Energy: 0.4775741639035466
Energy: 0.5110048126651652
Energy: 0.47257685003811906
Energy: 0.501497123463886
Energy: 0.4730277308314503
Energy: 0.4880961592194997
Energy: 0.5016824650008093
Energy: 0.48457257584217367
Energy: 0.47742119100866154
Energy: 0.6394175761133295
Energy: 0.5788206140103117
Energy: 0.5539886975795065
Energy: 0.6393773500475166
Energy: 0.5566741880357692
Energy: 0.5557179585194795
Energy: 0.5618685737724787
Energy: 0.48305498922059065
Energy: 0.4936319940955911
Energy: 0.5057110559422223
Energy: 0.4837086856615651
Energy: 0.4933382792692907
Energy: 0.5800400113541362
Energy: 0.4958852601391437
Energy: 0.4961858123420428
Energy: 0.4832433644792088
Energy: 0.4969097043374925
Energy: 0.4807309936602291
Energy: 0.6380616741505001
Energy: 0.4863207169763677
Energy: 0.4823686561845443
Energy: 0.4998694066277836
Energy: 0.4795119454241119
Energy: 0.46917425998727325
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Energy: 0.5054878644396217
Energy: 0.4853646749671131
Energy: 0.5218954879110739
Energy: 0.5055568018512
Energy: 0.4878557616192934
Energy: 0.5521601946486979
Energy: 0.4890739689029338
Energy: 0.48808071019789534
Energy: 0.47259385516342006
Energy: 0.5102893932369619
Energy: 0.47585558110724163
Energy: 0.6399365084914599
Energy: 0.48061386921775967
Energy: 0.48182241236729095
Energy: 0.640719735437391
Energy: 0.471045371740762
Energy: 0.4772187101881316
Energy: 0.49347782686136976
Energy: 0.47194144531326965
Energy: 0.5176571980611481
Energy: 0.4934420217778536
Energy: 0.4708133558775498
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Energy: 0.4729989643983048
Energy: 0.4599598294401873
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Energy: 0.5057147638067672
Energy: 0.5233106591534481
Energy: 0.5012222461786958
Energy: 0.5066107135240325
Energy: 0.5229498610089465
Energy: 0.5054970581082712
Energy: 0.4985990360077008
Energy: 0.5103210321528522
Energy: 0.48680295788043293
Energy: 0.4937965239091238
Energy: 0.4792914915980907
Energy: 0.4940779532685641
Energy: 0.7478515364147287
Energy: 0.5247579684475219
Energy: 0.5723831952461906
Energy: 0.5589255670630614
Energy: 0.5775593352584103
Energy: 0.540962261807689
Energy: 0.6350344970467977
Energy: 0.48641358183975825
Energy: 0.48612572252482433
Energy: 0.4936673012281728
Energy: 0.4983369820780269
Energy: 0.46129724106485165
Energy: 0.5044637975211119
Energy: 0.4814394085002761
Energy: 0.4813311432998621
Energy: 0.47771768393157193
Energy: 0.4726869963920833
Energy: 0.4729421687860068
Energy: 0.4990494717260677
Energy: 0.4850127052598637
Energy: 0.4604709044021978
Energy: 0.47276699314059717
Energy: 0.5102437726971003
Energy: 0.46969388048341737
Energy: 0.49804660953757307
Energy: 0.4729992792297838
Energy: 0.4608658597824313
Energy: 0.49802251378826445
Energy: 0.4814924875667798
Energy: 0.4772274330414881
Energy: 0.6107144413083433
Energy: 0.582304327702807
Energy: 0.5553104310424605
Energy: 0.6107686598524731
Energy: 0.5820453783215979
Energy: 0.5537881755137734
Energy: 0.5625729070918181
Energy: 0.4821015731682784
Energy: 0.4939502300877595
Energy: 0.5048227371508273
Energy: 0.5027922353186518
Energy: 0.47698988219382726
Energy: 0.5805401178612513
Energy: 0.49412434017848383
Energy: 0.4825688243187088
Energy: 0.48415705093370226
Energy: 0.49717728225615304
Energy: 0.5144259560147111
Energy: 0.6396694859630023
Energy: 0.4825703790263776
Energy: 0.48193094714651563
Energy: 0.4778913805244673
Energy: 0.4787640226451143
Energy: 0.4729768223039619
Energy: 0.5527564210439794
Energy: 0.48853082368050194
Energy: 0.4902597326630281
Energy: 0.47249349910749083
Energy: 0.4787957840126023
Energy: 0.47597591498658004
Energy: 0.642803851541504
Energy: 0.48067318275693854
Energy: 0.4880380870514553
Energy: 0.521946953282245
Energy: 0.5716127308931579
Energy: 0.4754876680026281
Energy: 0.6884273449496547
Energy: 0.46265693188699347
Energy: 0.49219695356348087
Energy: 0.5013257392861613
Energy: 0.473698619706154
Energy: 0.4763734544226988
Energy: 0.4935150407022527
Energy: 0.5591325566197256
Energy: 0.5171063047949264
Energy: 0.4934745505186021
Energy: 0.5591574678514104
Energy: 0.5169566420470897
Energy: 0.4800270142926981
Energy: 0.4765993806300831
Energy: 0.46358492330540635
Energy: 0.4806553999833628
Energy: 0.47679253877202904
Energy: 0.47654454502405247
Energy: 0.48985807099821604
Energy: 0.5312132273879904
Energy: 0.49591590754059023
Energy: 0.4895511695255458
Energy: 0.5224208411962558
Energy: 0.4959066486073226
Energy: 0.5463489650399551
Energy: 0.4821914243282449
Energy: 0.48678335576996806
Energy: 0.5049823485406364
Energy: 0.4783453344663739
Energy: 0.4884921427713673
Energy: 0.6583281482589874
Energy: 0.48615112783590525
Energy: 0.4705946270895046
Energy: 0.45899801156605335
Energy: 0.6402344999446603
Energy: 0.4505890949953997

minimum gb energy = 0.4505890949953997 eV
minimum distance =  2.53722353343662 Angstroms
sigma value = 33


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

Energy: 0.6568286813788746
Energy: 0.6017839720010557
Energy: 0.5941095237273611
Energy: 0.6419535700370229
Energy: 0.6287291257236051
Energy: 0.6033095368475885
Energy: 0.6595516572581468
Energy: 0.48545436605537207
Energy: 0.4943865498512782
Energy: 0.495820316119663
Energy: 0.5145105295314852
Energy: 0.5140560570562549
Energy: 0.5491473764787943
Energy: 0.5244976072431969
Energy: 0.5141966646257333
Energy: 0.5074906802628101
Energy: 0.48335576960044324
Energy: 0.5055202303870258
Energy: 0.5567644589687228
Energy: 0.5150443811296328
Energy: 0.5146848743405134
Energy: 0.50678197196638
Energy: 0.5174136874197928
Energy: 0.5125178444707241
Energy: 0.557711375052892
Energy: 0.4934596856536412
Energy: 0.5180441359950443
Energy: 0.5481353957492612
Energy: 0.4927523456185442
Energy: 0.5166596601549954
Energy: 0.6441807798200052
Energy: 0.5267633308480476
Energy: 0.5460767635730679
Energy: 0.6309960669061345
Energy: 0.5135576277322911
Energy: 0.5281644559031428
Energy: 0.6610714648542932
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Energy: 0.511464195467327
Energy: 0.550366956967857
Energy: 0.520079811375062
Energy: 0.5125635559031008
Energy: 0.6569907574372464
Energy: 0.5113593554381981
Energy: 0.48629297516768905
Energy: 0.48412496905960395
Energy: 0.5110237036585821
Energy: 0.4804432762450073
Energy: 0.5992232262368714
Energy: 0.4993806832113101
Energy: 0.5070328352140078
Energy: 0.5458963097694162
Energy: 0.49315930618939596
Energy: 0.5143343540282975
Energy: 0.6594306763749885
Energy: 0.5467160482649716
Energy: 0.5465300304324875
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Energy: 0.5422435388533184
Energy: 0.5463926458744589
Energy: 0.6625799338882767
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Energy: 0.5074538707288122
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Energy: 0.5335670908998712
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Energy: 0.48195228336524454
Energy: 0.4917194408780505
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Energy: 0.47103852217096015
Energy: 0.48259883493569916
Energy: 0.5912827007324937
Energy: 0.48227340354665454
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Energy: 0.5908464716006111
Energy: 0.47542994843824843
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Energy: 0.5383477087546271
Energy: 0.5101846311995042
Energy: 0.5034334031106786
Energy: 0.4981545484593048
Energy: 0.5062794995936039
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Energy: 0.4855928349606045
Energy: 0.5697802967176449
Energy: 0.5710608860817371
Energy: 0.510233272853866
Energy: 0.5677909076338715
Energy: 0.5090458769693965
Energy: 0.5391026686303877
Energy: 0.51114224531735
Energy: 0.5104326471273434
Energy: 0.5279503645461262
Energy: 0.5483050033916841
Energy: 0.5080910272455641
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Energy: 0.5535802722829591
Energy: 0.5142905600701011
Energy: 0.5241155802656738
Energy: 0.5537080744317825
Energy: 0.5325620084000549
Energy: 0.6581976002780496
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Energy: 0.5158138207482533
Energy: 0.5257060264839077
Energy: 0.5677537248656033
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Energy: 0.5625876388987245
Energy: 0.5153465465482898
Energy: 0.4964309731762013
Energy: 0.5674844331649567
Energy: 0.5007367935866374
Energy: 0.5170516067186903
Energy: 0.4955401976078629
Energy: 0.493303465199265
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Energy: 0.49359803061304125
Energy: 0.4804103768509321
Energy: 0.5152797535545129
Energy: 0.48719855393175276
Energy: 0.5072262723048876
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Energy: 0.4897202502142194
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Energy: 0.5613729057686675
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Energy: 0.5339226538947793
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Energy: 0.6050281190145348
Energy: 0.5255790895947627
Energy: 0.5022105943597993
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Energy: 0.5096838684076465
Energy: 0.6415331087960162
Energy: 0.6190777405422674
Energy: 0.5577470864442245
Energy: 0.5717811752382276
Energy: 0.5883200792194326
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Energy: 0.5003328667022
Energy: 0.5079607498360478
Energy: 0.4738671384377646
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Energy: 0.5446208514029189
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Energy: 0.5016106703258093
Energy: 0.5086353447149825
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Energy: 0.5705136737119699
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Energy: 0.5146713200862079
Energy: 0.4859945625053583
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Energy: 0.5545170594296003
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Energy: 0.5128119469258829
Energy: 0.7164472729311596
Energy: 0.5435836754893083
Energy: 0.571078440941
Energy: 0.4640608124525101
Energy: 0.5895023190050358
Energy: 0.5787047972876836

minimum gb energy = 0.4601574629285697 eV
minimum distance =  2.61086639648114 Angstroms
sigma value = 67


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

Energy: 0.7124829717309343
Energy: 0.3674870782850907
Energy: 0.3659044966054595
Energy: 0.3654283022860051
Energy: 0.5659632183703691
Energy: 0.36534766949954905
Energy: 0.6318358392724175
Energy: 0.34546592881948596
Energy: 0.34446396162764975
Energy: 0.48616477501320987
Energy: 0.4769501602119037
Energy: 0.34402559777089226
Energy: 0.533057069849332
Energy: 0.3290274361497081
Energy: 0.3434194310522959
Energy: 0.34358460564038806
Energy: 0.3290471038398195
Energy: 0.34371769106860073
Energy: 0.47503717073924423
Energy: 0.3434880045402448
Energy: 0.34367409641567714
Energy: 0.34357678198768643
Energy: 0.3436309987320962
Energy: 0.34417976961507385
Energy: 0.4852658341159371
Energy: 0.3436728093397309
Energy: 0.343653823607402
Energy: 0.48524763175056074
Energy: 0.34372418726896803
Energy: 0.4853307907992241
Energy: 0.5448929426660611
Energy: 0.34276690744302574
Energy: 0.48557244139010464
Energy: 0.5448767435790054
Energy: 0.34279660065092993
Energy: 0.4749339326913756
Energy: 0.632406659869315
Energy: 0.34634496226753786
Energy: 0.34497709292686296
Energy: 0.6333971597572056
Energy: 0.47678903200375083
Energy: 0.345016518469238

minimum gb energy = 0.3290274361497081 eV
minimum distance =  2.70889939805918 Angstroms
sigma value = 3


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

Energy: 0.8706977298419435
Energy: 0.577259309244808
Energy: 0.5537664670212826
Energy: 0.4499989145300225
Energy: 0.8035272005682209
Energy: 0.5366566474171122
Energy: 0.5763525982663399
Energy: 0.5202517646239417
Energy: 0.4966032567073106
Energy: 0.4896739601481899
Energy: 0.5275169764214063
Energy: 0.48510943384217786
Energy: 0.6086733051899269
Energy: 0.421971291539619
Energy: 0.421408112159693
Energy: 0.605431496048806
Energy: 0.42047196912866464
Energy: 0.44416202343621713
Energy: 0.4430051491772536
Energy: 0.4130076647102792
Energy: 0.434398558374213
Energy: 0.43659756798335275
Energy: 0.46986652413812313
Energy: 0.4387114108097823
Energy: 0.4449529136553811
Energy: 0.4714395212478141
Energy: 0.5148962085403643
Energy: 0.4384180374920804
Energy: 0.4654481549740332
Energy: 0.49266515718905274
Energy: 0.5358811444944142
Energy: 0.4839815622940185
Energy: 0.5158873883136968
Energy: 0.536631480902443
Energy: 0.5379412491328576
Energy: 0.5151850433631932
Energy: 0.5189824644110244
Energy: 0.5362818955716382
Energy: 0.5227606125111988
Energy: 0.5173689022749197
Energy: 0.5330130637920923
Energy: 0.4883830565634652
Energy: 0.8124357800783327
Energy: 0.7056796875165017
Energy: 0.5449961484568948
Energy: 0.4418144848335016
Energy: 0.7009744314392377
Energy: 0.561747498139708
Energy: 0.5173484168081749
Energy: 0.5167184519307295
Energy: 0.47920438520842273
Energy: 0.5635511482003195
Energy: 0.5352194381307416
Energy: 0.49612601249155885
Energy: 0.6860693065186205
Energy: 0.43245001053367293
Energy: 0.43217299987811963
Energy: 0.6830229274292455
Energy: 0.43208681846263014
Energy: 0.5318682579398711
Energy: 0.5355329847443634
Energy: 0.44912234002979634
Energy: 0.5027230571110723
Energy: 0.5355670189734133
Energy: 0.4986713274362975
Energy: 0.5119588522274451
Energy: 0.5399668708928114
Energy: 0.5668668413264993
Energy: 0.5094501723023069
Energy: 0.5096913071934847
Energy: 0.5991447247899643
Energy: 0.5114038832317704
Energy: 0.5225819945994112
Energy: 0.43505245580076696
Energy: 0.4413920540105351
Energy: 0.5489615047319117
Energy: 0.43442029444919256
Energy: 0.4408140337961427
Energy: 0.5504500482847264
Energy: 0.4397726854061935
Energy: 0.4409811580062555
Energy: 0.5190253656351094
Energy: 0.43721284194627275
Energy: 0.43884955759299504
Energy: 0.7013862511491706
Energy: 0.6034579092629354
Energy: 0.6048881112330011
Energy: 0.5135751539256876
Energy: 0.5841194765534115
Energy: 0.43269482838317047
Energy: 0.5429096465689355
Energy: 0.43554127505277634
Energy: 0.43545509808548377
Energy: 0.5440444660649455
Energy: 0.4654281190856831
Energy: 0.4510144412497442
Energy: 0.6501569210287288
Energy: 0.5070399609948565
Energy: 0.5071387024620316
Energy: 0.6476718624133467
Energy: 0.506668664595701
Energy: 0.6537504530646872
Energy: 0.5317437770051523
Energy: 0.4692227742693326
Energy: 0.48421233376878287
Energy: 0.5397869725543171
Energy: 0.479819415315165
Energy: 0.5401977558453883
Energy: 0.5178806518434462
Energy: 0.5611651572936363
Energy: 0.4594126001825839
Energy: 0.43205608058224143
Energy: 0.6230375540764553
Energy: 0.43247223510249133
Energy: 0.6063902166902588
Energy: 0.4794616160197659
Energy: 0.44168925956182586
Energy: 0.43226297622501336
Energy: 0.4781341187223699
Energy: 0.4324098080616513
Energy: 0.5343007000163327
Energy: 0.48226146217947236
Energy: 0.48036124479757014
Energy: 0.5395930787444609
Energy: 0.479769907493086
Energy: 0.523238439493971
Energy: 0.557184671018473
Energy: 0.5737543840349467
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Energy: 0.4964810258700826
Energy: 0.5952413310144092
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Energy: 0.4887715057598897
Energy: 0.5354987875871834
Energy: 0.48758389899339616
Energy: 0.48981505414069243
Energy: 0.5349243449787711
Energy: 0.4428822876885167
Energy: 0.4936757035687567
Energy: 0.44009189453618847
Energy: 0.4274369675903211
Energy: 0.4871256569999442
Energy: 0.42436211053392203
Energy: 0.4865986940851859
Energy: 0.6492466782190994
Energy: 0.4869510169674649
Energy: 0.4436767030174135
Energy: 0.6200192289491292
Energy: 0.5197704905864938
Energy: 0.44072224373362606
Energy: 0.76591079538976
Energy: 0.6562604964166409
Energy: 0.6080015403552762
Energy: 0.5606384809596018
Energy: 0.5967669415354991
Energy: 0.508654579277614
Energy: 0.41612806254351115
Energy: 0.543875034872617
Energy: 0.5350272367541773
Energy: 0.5606873691821354
Energy: 0.6086778193407587
Energy: 0.507067835348295
Energy: 0.627538831280981
Energy: 0.4415345544772288
Energy: 0.44151318048811633
Energy: 0.6000319558904031
Energy: 0.5099044722842376
Energy: 0.47578220167177754
Energy: 0.4389778543986676
Energy: 0.4215573144873228
Energy: 0.42912942145262706
Energy: 0.43901441315449263
Energy: 0.43684773417306494
Energy: 0.44346116208344016
Energy: 0.44009763392216683
Energy: 0.47775836967434476
Energy: 0.44003652535616605
Energy: 0.4411506900886113
Energy: 0.5360388797701979
Energy: 0.4547494742746397
Energy: 0.43986640926216114
Energy: 0.6006636197758369
Energy: 0.48592519208000984
Energy: 0.44091708903241444
Energy: 0.6021173203102056
Energy: 0.48197338429984443
Energy: 0.5496901881998081
Energy: 0.5132692545221519
Energy: 0.5049482898628914
Energy: 0.5798608337736054
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Energy: 0.5138604599124491
Energy: 0.7654182863399952
Energy: 0.5235786084089724
Energy: 0.534128911499087
Energy: 0.44169457396876277
Energy: 0.5208699700847031
Energy: 0.5070050517058894
Energy: 0.6194556227721295
Energy: 0.5642622207581257
Energy: 0.503512177514938
Energy: 0.5053248640236617
Energy: 0.5789019969523639
Energy: 0.5151363789900929
Energy: 0.5902583035403444
Energy: 0.45009510926462726
Energy: 0.5022258116654179
Energy: 0.599461149167116
Energy: 0.4995014017210876
Energy: 0.5140985338210375
Energy: 0.5512115949064239
Energy: 0.43212240339278923
Energy: 0.43248636576761496
Energy: 0.5525979470539836
Energy: 0.4320286378720704
Energy: 0.5485183895967801
Energy: 0.5436581062381172
Energy: 0.48436007966621497
Energy: 0.5018104852649016
Energy: 0.5443577379844454
Energy: 0.5153783790259632
Energy: 0.5001355494789853
Energy: 0.6491038022733823
Energy: 0.4346907138924589
Energy: 0.43560809588110294
Energy: 0.5288591225971817
Energy: 0.4350346973792483
Energy: 0.5478579077512279
Energy: 0.5467206890466119
Energy: 0.4402651258540169
Energy: 0.44158901091990516
Energy: 0.47087791233109005
Energy: 0.4382531249891
Energy: 0.4342906796625244
Energy: 0.7028666828585238
Energy: 0.44163512312711667
Energy: 0.44135939328570506
Energy: 0.5590156284660363
Energy: 0.4345851367882026
Energy: 0.4361421497154888
Energy: 0.5333946710636386
Energy: 0.49246140731103144
Energy: 0.435089108472001
Energy: 0.5420081973317222
Energy: 0.6162687145040322
Energy: 0.4324645123822772
Energy: 0.5566919726691418
Energy: 0.5026968666437659
Energy: 0.5714961591008143
Energy: 0.5563606631871862
Energy: 0.46504904844260214
Energy: 0.5907738867582505
Energy: 0.6188471993940233
Energy: 0.5065862425283587
Energy: 0.5067365599307527
Energy: 0.6614266379499893
Energy: 0.5063786324526339
Energy: 0.5139936438502803
Energy: 0.496397392257471
Energy: 0.4712347963079875
Energy: 0.44440831156105975
Energy: 0.5400936008993305
Energy: 0.5843346027326277
Energy: 0.44396645846013694
Energy: 0.7577628232523956
Energy: 0.4836566667097988
Energy: 0.4538725415499152
Energy: 0.6899724897358328
Energy: 0.4739435884110495
Energy: 0.4541269674959036
Energy: 0.4967584196239495
Energy: 0.4705227736827156
Energy: 0.4548985516324958
Energy: 0.465944271369233
Energy: 0.4786038824022419
Energy: 0.4521939070085509
Energy: 0.6142782653074611
Energy: 0.528832604101265
Energy: 0.5464277022365029
Energy: 0.4926293432514429
Energy: 0.5006983572386409
Energy: 0.5495917270242763
Energy: 0.49364067929335
Energy: 0.5407224784572078
Energy: 0.5383713054879641
Energy: 0.48895805817605853
Energy: 0.5670625972963471
Energy: 0.5460980676464147
Energy: 0.49335704343532594
Energy: 0.42395071951687785
Energy: 0.43309650545586215
Energy: 0.4875115593437181
Energy: 0.4240310368242282
Energy: 0.4419475228606275
Energy: 0.6284155584719249
Energy: 0.4233366217223719
Energy: 0.4238989994131278
Energy: 0.6271384060220636
Energy: 0.42463005431108947
Energy: 0.4432849845747577
Energy: 0.5392747808139176
Energy: 0.5007969691275409
Energy: 0.521843995920918
Energy: 0.5135931383675584
Energy: 0.5457606711822848
Energy: 0.4834660360629029

minimum gb energy = 0.4130076647102792 eV
minimum distance =  2.54745469600378 Angstroms
sigma value = 81


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

Energy: 0.996450338572385
Energy: 0.5659173159984112
Energy: 0.5259133153470417
Energy: 0.5397134938115109
Energy: 0.6158378944617453
Energy: 0.5462312474308552
Energy: 0.5045646190759709
Energy: 0.5152922455577396
Energy: 0.5160912911517066
Energy: 0.4861270200848419
Energy: 0.5337926483332194
Energy: 0.5096657105338359
Energy: 0.6198360886542691
Energy: 0.5235764072654692
Energy: 0.5235448732414658
Energy: 0.5473199561472231
Energy: 0.469533709565407
Energy: 0.564596298501402
Energy: 0.49439522446121253
Energy: 0.529144369073913
Energy: 0.5459800721558625
Energy: 0.48364176211055654
Energy: 0.5357474697784043
Energy: 0.5109878835502232
Energy: 0.49664621601244435
Energy: 0.4590891713130444
Energy: 0.4935641304634127
Energy: 0.49005536577347786
Energy: 0.5096353614155477
Energy: 0.5010834223992306
Energy: 0.6438938780116563
Energy: 0.5140377298754074
Energy: 0.49869081784043073
Energy: 0.6112936407103563
Energy: 0.5135525905723289
Energy: 0.4988140599291909
Energy: 0.5805282668594844
Energy: 0.4911017739794974
Energy: 0.5298891754142666
Energy: 0.4481164178753158
Energy: 0.4873311826282366
Energy: 0.4766857266270694
Energy: 0.8119702410584814
Energy: 0.781115464076922
Energy: 0.7410131313806214
Energy: 0.5877411219465905
Energy: 0.7693449486486167
Energy: 0.4970954842941969
Energy: 0.580278093061882
Energy: 0.4897167427207748
Energy: 0.4854593808072584
Energy: 0.5352940979589089
Energy: 0.48379366159780474
Energy: 0.4493217743081462
Energy: 0.5785666967489063
Energy: 0.44788689348777494
Energy: 0.4480841013893584
Energy: 0.5597419907362124
Energy: 0.44790539818492037
Energy: 0.44870151269467656
Energy: 0.4926935341124449
Energy: 0.448063190093137
Energy: 0.447782287459881
Energy: 0.4739166809644294
Energy: 0.4732267695053444
Energy: 0.44781263196045024
Energy: 0.5205096105149889
Energy: 0.5405705955395163
Energy: 0.5503274339990273
Energy: 0.4895379592370736
Energy: 0.5407381579477628
Energy: 0.5462269160087053
Energy: 0.6010410516142578
Energy: 0.5511351689884582
Energy: 0.5337691223155936
Energy: 0.4501543821934915
Energy: 0.48605041004735994
Energy: 0.5237918523082681
Energy: 0.48414433809449847
Energy: 0.48896371898662594
Energy: 0.490471467463506
Energy: 0.4665504121505252
Energy: 0.4908739557734786
Energy: 0.4882410648210357
Energy: 0.7396394329324073
Energy: 0.6271824505261068
Energy: 0.6191959971206751
Energy: 0.5042971260823284
Energy: 0.5954078031221338
Energy: 0.5071113620645263
Energy: 0.4887627070628952
Energy: 0.5017025529617218
Energy: 0.5025934012211102
Energy: 0.4895353612884013
Energy: 0.5089335970714608
Energy: 0.5046739829509301
Energy: 0.7095767680102594
Energy: 0.4556116486260347
Energy: 0.4325025671196225
Energy: 0.7069861462543547
Energy: 0.4560482551954405
Energy: 0.5200174315644166
Energy: 0.5571786271603758
Energy: 0.5002815275461486
Energy: 0.5191799137246038
Energy: 0.5330084675210697
Energy: 0.5317208616198146
Energy: 0.5541847883069606
Energy: 0.5039273406466956
Energy: 0.6394921046968474
Energy: 0.5101907193281524
Energy: 0.4939670753722027
Energy: 0.651393967668964
Energy: 0.5101423173668411
Energy: 0.42207128382170567
Energy: 0.5512832355040694
Energy: 0.5102518355780454
Energy: 0.5099211741785791
Energy: 0.5598105645462902
Energy: 0.5102928411246679
Energy: 0.5732438508912748
Energy: 0.5002057513928242
Energy: 0.5001579842310502
Energy: 0.5956406722796087
Energy: 0.5508330799440803
Energy: 0.5583731494029641
Energy: 0.4944685462215503
Energy: 0.4681415634505139
Energy: 0.4989663370841645
Energy: 0.49415432084709304
Energy: 0.4688894594965465
Energy: 0.520574973549523
Energy: 0.4856312708149521
Energy: 0.49723571868443595
Energy: 0.49519300542582867
Energy: 0.48655234597462554
Energy: 0.5713934497144965
Energy: 0.49501538394342975
Energy: 0.4913403288130804
Energy: 0.5559648540566161
Energy: 0.5007653346571808
Energy: 0.5028137301498175
Energy: 0.5530800865730545
Energy: 0.5015729429423028
Energy: 0.5710096152261602
Energy: 0.49490960028428854
Energy: 0.4953414921198576
Energy: 0.5543615843407466
Energy: 0.4925818975623517
Energy: 0.4939934669031351
Energy: 0.6938237703388113
Energy: 0.47731452733431345
Energy: 0.5285947160518608
Energy: 0.43597278291524716
Energy: 0.4864158121212846
Energy: 0.5050861388558661
Energy: 0.6935504227390028
Energy: 0.4797472982228425
Energy: 0.5490964238647785
Energy: 0.504520066051684
Energy: 0.479772173306618
Energy: 0.5441750048229986
Energy: 0.5805380726170086
Energy: 0.44794815801423865
Energy: 0.44780842093982026
Energy: 0.5612911890058235
Energy: 0.48755003132077235
Energy: 0.4479065738112012
Energy: 0.4922168370923634
Energy: 0.4479400444654869
Energy: 0.4479403411601007
Energy: 0.47399460566292373
Energy: 0.44784037248589864
Energy: 0.4482042991409969
Energy: 0.49443032055781067
Energy: 0.5491278014980194
Energy: 0.44811792010162993
Energy: 0.4716493156616704
Energy: 0.5439163371962342
Energy: 0.4479987135335592
Energy: 0.6570963252845822
Energy: 0.5594770414299034
Energy: 0.5950067774909146
Energy: 0.4764774411788585
Energy: 0.5894673958962741
Energy: 0.5235147188701111
Energy: 0.5026668784340959
Energy: 0.48914732441609593
Energy: 0.4657615104487769
Energy: 0.4482945183910074
Energy: 0.48497938565488663
Energy: 0.5071776310754024
Energy: 0.5576183421368854
Energy: 0.5033692594244377
Energy: 0.487381147944931
Energy: 0.5336954290458663
Energy: 0.5038868634203749
Energy: 0.48682022510723627
Energy: 0.49679225226089635
Energy: 0.5698414960106905
Energy: 0.5024788371212126
Energy: 0.5524295622938323
Energy: 0.609636202739686
Energy: 0.5104410913960532
Energy: 0.4979545558379173
Energy: 0.47306201697288447
Energy: 0.49766895188269716
Energy: 0.48797223247383326
Energy: 0.43599161304609935
Energy: 0.5098920775983709
Energy: 0.7604973650988662
Energy: 0.4556134200904019
Energy: 0.45537014129570696
Energy: 0.7609698115574631
Energy: 0.45559587122131207
Energy: 0.498125623492762
Energy: 0.5551114828112328
Energy: 0.482088646522704
Energy: 0.48136521742131083
Energy: 0.5049345406195115
Energy: 0.5706743122470505
Energy: 0.5068410982701119
Energy: 0.6806864737912584
Energy: 0.5573902491283773
Energy: 0.5261416215838585
Energy: 0.509956658829575
Energy: 0.5582271534896378
Energy: 0.5321854477028847

minimum gb energy = 0.42207128382170567 eV
minimum distance =  2.64204180767774 Angstroms
sigma value = 43


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

Energy: 0.8922208371888084
Energy: 0.7448820852693274
Energy: 0.5736645181424721
Energy: 0.47162030925185655
Energy: 0.776322907954322
Energy: 0.4712282011723715
Energy: 0.5678091562571858
Energy: 0.5036544347463684
Energy: 0.5292250101672742
Energy: 0.5141039114180909
Energy: 0.48431074008554237
Energy: 0.5123375232404936
Energy: 0.591835085489313
Energy: 0.4299445715900113
Energy: 0.4297713485341329
Energy: 0.5926152143084961
Energy: 0.4639767125680545
Energy: 0.47844686300068495
Energy: 0.4448974123006157
Energy: 0.43017487223098144
Energy: 0.44439180457077515
Energy: 0.445582717597027
Energy: 0.5146744721743013
Energy: 0.44432774897142474
Energy: 0.44700841825635834
Energy: 0.5339348521446656
Energy: 0.5416995445842847
Energy: 0.447102409469514
Energy: 0.5433788072219237
Energy: 0.5235931310205535
Energy: 0.5862526530187759
Energy: 0.5227775558804153
Energy: 0.5230567447779013
Energy: 0.5588418578703326
Energy: 0.48577800395322623
Energy: 0.5231084383590987
Energy: 0.45909324962354686
Energy: 0.4450057659763971
Energy: 0.4449527964043617
Energy: 0.45945737289996835
Energy: 0.4487308739775022
Energy: 0.4446694158890449
Energy: 0.7426441372590997
Energy: 0.5296399693122015
Energy: 0.5880814167420556
Energy: 0.5209966121122586
Energy: 0.5304535778421838
Energy: 0.4783396813112551
Energy: 0.48518904776479693
Energy: 0.44808267947722963
Energy: 0.446771092106785
Energy: 0.48515102875455324
Energy: 0.5259994591457547
Energy: 0.4444735927704652
Energy: 0.7051182655730548
Energy: 0.5182487140087624
Energy: 0.5182198356337314
Energy: 0.7043290361331902
Energy: 0.5188108930924828
Energy: 0.5183549962803279
Energy: 0.47627904456044357
Energy: 0.5289912281011534
Energy: 0.5078841370745913
Energy: 0.4763597807176959
Energy: 0.523017624542439
Energy: 0.5275070351431609
Energy: 0.5247901823160662
Energy: 0.5721444634087094
Energy: 0.4787321477390209
Energy: 0.43071837737540847
Energy: 0.5863035707364522
Energy: 0.478505058688933
Energy: 0.5246884912158268
Energy: 0.47855965008726886
Energy: 0.47910900754258734
Energy: 0.46996625574129125
Energy: 0.49076578517804015
Energy: 0.457722929559375
Energy: 0.4766447087896976
Energy: 0.48137721709633724
Energy: 0.5143205438101861
Energy: 0.5474138139529208
Energy: 0.493254697295495
Energy: 0.5130293156839131
Energy: 0.4288328749214371
Energy: 0.5238947104809846
Energy: 0.4954049035673702
Energy: 0.4287641304408534
Energy: 0.4924406054506508
Energy: 0.4954469514238398
Energy: 0.42875618067853916
Energy: 0.49646249756149957
Energy: 0.4769788825992509
Energy: 0.4296596012924316
Energy: 0.5753721943591862
Energy: 0.42851948942214024
Energy: 0.4290165459868189
Energy: 0.4524987291655791
Energy: 0.45281603793167047
Energy: 0.42903710426031855
Energy: 0.5306257248954893
Energy: 0.45238212240592524
Energy: 0.5446206262311036
Energy: 0.5215203344915673
Energy: 0.45288987884555865
Energy: 0.5806205494721637
Energy: 0.5242751678865738
Energy: 0.45234490397745986
Energy: 0.4793160234933768
Energy: 0.5183976357810771
Energy: 0.5180038856104964
Energy: 0.4678932040202988
Energy: 0.5284233198919124
Energy: 0.47819200401032763
Energy: 0.4801769555286577
Energy: 0.5725665069944781
Energy: 0.5187452639315504
Energy: 0.49220239370659297
Energy: 0.5990520597111952
Energy: 0.47836176486961607
Energy: 0.547215921145957
Energy: 0.5166179151917231
Energy: 0.5296403009245255
Energy: 0.5477827932345898
Energy: 0.5271186437210253
Energy: 0.48658715974208566
Energy: 0.6529454689587737
Energy: 0.4575324118013435
Energy: 0.4578374646259045
Energy: 0.6532225928628815
Energy: 0.5236558531274118
Energy: 0.5027203704944369
Energy: 0.5281217312660813
Energy: 0.487123484970774
Energy: 0.4866293910274331
Energy: 0.5289227833776693
Energy: 0.5019386661141318
Energy: 0.4851616348182316
Energy: 0.5157616515234525
Energy: 0.5754134902635328
Energy: 0.5285717221621372
Energy: 0.5165214939450669
Energy: 0.5769731728864624
Energy: 0.491389166145115
Energy: 0.4980387587696887
Energy: 0.4286696899942715
Energy: 0.4285686264066568
Energy: 0.5601965598353434
Energy: 0.4286717185089963
Energy: 0.4523099857370253
Energy: 0.49065282878688987
Energy: 0.47734892591745565
Energy: 0.495090428901083
Energy: 0.5308089065324628
Energy: 0.42840165674495095
Energy: 0.4950218823849288
Energy: 0.49036251803981845
Energy: 0.5636888142316716
Energy: 0.5300738772607212
Energy: 0.5112649459440055
Energy: 0.5476219844228252
Energy: 0.5305217363296021
Energy: 0.49273235942523413
Energy: 0.5154324586038335
Energy: 0.4998383294902197
Energy: 0.49096130969428015
Energy: 0.536405288790896
Energy: 0.4787344618936064
Energy: 0.6465242705254199
Energy: 0.44392317594164543
Energy: 0.4608149662980513
Energy: 0.645457616865169
Energy: 0.5200090855365733
Energy: 0.495771290568458
Energy: 0.5895750102704487
Energy: 0.5285067198170919
Energy: 0.5159647619752831
Energy: 0.5692986200998994
Energy: 0.48451124656653716
Energy: 0.444311679901206
Energy: 0.8937203383778795
Energy: 0.618776435402635
Energy: 0.6309925154370639
Energy: 0.4577387321593847
Energy: 0.6192508440612647
Energy: 0.5792757565736872

minimum gb energy = 0.42840165674495095 eV
minimum distance =  2.57733566551049 Angstroms
sigma value = 57


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

Energy: 0.6582974139533615
Energy: 0.5130152442385488
Energy: 0.5120256114838558
Energy: 0.6598095171473101
Energy: 0.6677382045764293
Energy: 0.5120415366378361
Energy: 0.4293740268266864
Energy: 0.47934395099975524
Energy: 0.47585047291171556
Energy: 0.47824603070359856
Energy: 0.47941726594061346
Energy: 0.5531385222245129
Energy: 0.6125990461256738
Energy: 0.5774888874986738
Energy: 0.5055333099188558
Energy: 0.6132918920067788
Energy: 0.5761991957787955
Energy: 0.5057656650913627
Energy: 0.4687131397476485
Energy: 0.5055935288982307
Energy: 0.5057467299437755
Energy: 0.46919080949886965
Energy: 0.5763749976729928
Energy: 0.46885238670188156
Energy: 0.47421679018891183
Energy: 0.4442047533688313
Energy: 0.44343240480614815
Energy: 0.47407799088607955
Energy: 0.5076479368076775
Energy: 0.510009570873478
Energy: 0.5910098516724451
Energy: 0.5093007581481918
Energy: 0.5091167431498725
Energy: 0.4438446590848736
Energy: 0.5074105065530575
Energy: 0.5094895644602206
Energy: 0.5071211313301078
Energy: 0.47492276197647726
Energy: 0.47359341620888135
Energy: 0.5078797204065292
Energy: 0.47517363128825124
Energy: 0.4737433649676365
Energy: 0.6116412055544282
Energy: 0.5421683312567588
Energy: 0.5423092903224046
Energy: 0.6117929220810636
Energy: 0.541615166796864
Energy: 0.47020199441132254
Energy: 0.47788633896582466
Energy: 0.47622205608058765
Energy: 0.47563189027544395
Energy: 0.47808691269496284
Energy: 0.5327373627260699
Energy: 0.551388852527464
Energy: 0.6677935307205454
Energy: 0.4684739660926741
Energy: 0.4683421776805836
Energy: 0.6678950473948742
Energy: 0.46852206317532646
Energy: 0.4683692970237839
Energy: 0.5420882189413201
Energy: 0.5457781254531345
Energy: 0.5510143011446041
Energy: 0.5421948348373257
Energy: 0.4778311962725286
Energy: 0.47742019783348344
Energy: 0.42720355410416866
Energy: 0.5429121476156192
Energy: 0.47807810120232536
Energy: 0.4282823494888414
Energy: 0.5426708856613376
Energy: 0.5066236478909908
Energy: 0.4294936285392507
Energy: 0.47827499060006456
Energy: 0.566159368367626
Energy: 0.5065206424020499
Energy: 0.47872508268046454
Energy: 0.5063093928753899
Energy: 0.5464179269557735
Energy: 0.479325206744887
Energy: 0.509398365794201
Energy: 0.5326479748821339
Energy: 0.47874913194168695
Energy: 0.4761727890399388
Energy: 0.4719020140823052
Energy: 0.4274517426998726
Energy: 0.4513263732239045
Energy: 0.4697377233638004
Energy: 0.4279378086395295
Energy: 0.45107346509241486
Energy: 0.47354907742217367
Energy: 0.4421536767453607
Energy: 0.44305650667380125
Energy: 0.47427006591495485
Energy: 0.507967747155116
Energy: 0.4737115324940002
Energy: 0.47378718581808543
Energy: 0.4413203809574624
Energy: 0.4415230385688442
Energy: 0.5074240494688578
Energy: 0.4418618953649267
Energy: 0.508401176500423
Energy: 0.4744822924765904
Energy: 0.4744587799987184
Energy: 0.5092739041396732
Energy: 0.5082983596571413
Energy: 0.4740253803585488
Energy: 0.44348940791838637
Energy: 0.4786717476963995
Energy: 0.47071225111173076
Energy: 0.47125664823540386
Energy: 0.5064810997185202
Energy: 0.4705597609550649
Energy: 0.4702012414975981
Energy: 0.4783035169132031
Energy: 0.5325179125624819
Energy: 0.47075668903608053
Energy: 0.5463189766321117
Energy: 0.543349675501991
Energy: 0.5483145713851199
Energy: 0.4797686995933989
Energy: 0.4797770482714066
Energy: 0.47865121977250746
Energy: 0.4797247306971032
Energy: 0.479632296467164
Energy: 0.5536425383505165
Energy: 0.7245873586436923
Energy: 0.46866044438198573
Energy: 0.47973624137023624
Energy: 0.7245854419404171
Energy: 0.4686071360765531
Energy: 0.47983141040439525
Energy: 0.531404739183524
Energy: 0.4792884511368437
Energy: 0.47555246104021764
Energy: 0.5318298678190343
Energy: 0.47876766936948395
Energy: 0.475982941508435
Energy: 0.4296569962359077
Energy: 0.5311468097494979
Energy: 0.5661244466563202
Energy: 0.5064386866377895
Energy: 0.5324001041515828
Energy: 0.5063159606111935

minimum gb energy = 0.42720355410416866 eV
minimum distance =  2.64768351600398 Angstroms
sigma value = 17


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

Energy: 0.7419047688477647
Energy: 0.571845630053319
Energy: 0.5700423067293652
Energy: 0.4705484862841275
Energy: 0.704638864513115
Energy: 0.4708819065752938
Energy: 0.6012603523723408
Energy: 0.49914781685973053
Energy: 0.4994869644831362
Energy: 0.5303319660315837
Energy: 0.4986999802503725
Energy: 0.49819513860988107
Energy: 0.6032136287578167
Energy: 0.44812484818375814
Energy: 0.4481167692219162
Energy: 0.6040671221294851
Energy: 0.4483725045344965
Energy: 0.4483504986311562
Energy: 0.49957077702257097
Energy: 0.44848519989056673
Energy: 0.44830471716392484
Energy: 0.49793921079794656
Energy: 0.4482144806117398
Energy: 0.4977627953862235
Energy: 0.4956196820434624
Energy: 0.49893332132310714
Energy: 0.49968464360719483
Energy: 0.49574063908516663
Energy: 0.49889168474093387
Energy: 0.5572020800624534
Energy: 0.6582865681407434
Energy: 0.44614312690236513
Energy: 0.49084208543914953
Energy: 0.5282266229391399
Energy: 0.44601081041100366
Energy: 0.5280994565483323
Energy: 0.5313658004773537
Energy: 0.44700936937672636
Energy: 0.44620723296014897
Energy: 0.48865298886019914
Energy: 0.4485886093976974
Energy: 0.49984662751259
Energy: 0.6299646793307377
Energy: 0.5353233926486922
Energy: 0.5388969675074831
Energy: 0.5352525498669181
Energy: 0.5353302167644146
Energy: 0.5340971876072724
Energy: 0.44783675700734427
Energy: 0.5401671034845367
Energy: 0.5376980117952104
Energy: 0.448560381222074
Energy: 0.49186381064644685
Energy: 0.4465389303484905
Energy: 0.44592947093259827
Energy: 0.49087413124130574
Energy: 0.4909267696561448
Energy: 0.44592110285445924
Energy: 0.4908750912972807
Energy: 0.49127399571202823
Energy: 0.5176037701289006
Energy: 0.4986626566812006
Energy: 0.5583946120090607
Energy: 0.5593283943207532
Energy: 0.497724800006292
Energy: 0.49935658281934514
Energy: 0.539749601669471
Energy: 0.49765397898679775
Energy: 0.4973519297554337
Energy: 0.5400987158974497
Energy: 0.4983549248483094
Energy: 0.4971467204616685
Energy: 0.49755674667923466
Energy: 0.5489190376877648
Energy: 0.49784143851862744
Energy: 0.500202927597089
Energy: 0.6037208180133253
Energy: 0.4972039846518267
Energy: 0.6182775365275308
Energy: 0.49762682361607974
Energy: 0.4982103314101611
Energy: 0.619053024141732
Energy: 0.4975862819939631
Energy: 0.4974798856301636
Energy: 0.6843175500962672
Energy: 0.5449807637305897
Energy: 0.5448781384475448
Energy: 0.6843753829327989
Energy: 0.5448132670326407
Energy: 0.5446446066218471
Energy: 0.6660498075054707
Energy: 0.49757224698226254
Energy: 0.49742370112491086
Energy: 0.6669468929318533
Energy: 0.5046983313910357
Energy: 0.4995758214660658
Energy: 0.5024095603378173
Energy: 0.5471113281085209
Energy: 0.5455670347894259
Energy: 0.5139350278727883
Energy: 0.5463996018784218
Energy: 0.545511734117682

minimum gb energy = 0.44592110285445924 eV
minimum distance =  2.61909079004482 Angstroms
sigma value = 17


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

Energy: 0.7822356856320017
Energy: 0.5506099922610297
Energy: 0.46607703214927426
Energy: 0.4625087621149756
Energy: 0.6582918641733407
Energy: 0.4618966501846638
Energy: 0.6576161571524247
Energy: 0.4930010582970308
Energy: 0.48967602734124693
Energy: 0.519615732751103
Energy: 0.49058852117778423
Energy: 0.4952988097233535
Energy: 0.5718650109774576
Energy: 0.4655942547759248
Energy: 0.4447793547505554
Energy: 0.5723329622240986
Energy: 0.5032308417728393
Energy: 0.44488187683185637
Energy: 0.4913330257304643
Energy: 0.4451779964556977
Energy: 0.44518063561171284
Energy: 0.4922197448000169
Energy: 0.531137015157927
Energy: 0.44482772923364616
Energy: 0.48881310429423547
Energy: 0.4839386344053754
Energy: 0.4856440087137819
Energy: 0.48870315935105835
Energy: 0.5152696864932722
Energy: 0.5362680620771988
Energy: 0.7021234300714958
Energy: 0.43688352954490123
Energy: 0.4263902830996297
Energy: 0.5029983843910687
Energy: 0.4368554085749561
Energy: 0.4652611150741152
Energy: 0.49279316943261325
Energy: 0.44060809127838696
Energy: 0.436736438066059
Energy: 0.4882081915510305
Energy: 0.4384522067943422
Energy: 0.4805899199554939
Energy: 0.5695539523187924
Energy: 0.49960755311237065
Energy: 0.5023386382502539
Energy: 0.5132214330032628
Energy: 0.4936494603093365
Energy: 0.4999137826497679
Energy: 0.4257796719899316
Energy: 0.5025573487943015
Energy: 0.4648188391474305
Energy: 0.4265517186166418
Energy: 0.45929210021968675
Energy: 0.42431307504146565
Energy: 0.42463775978003054
Energy: 0.5018375440911039
Energy: 0.49981160725780366
Energy: 0.4246800897220368
Energy: 0.497394842890759
Energy: 0.49852186565327666
Energy: 0.5079079435327694
Energy: 0.4244497543923663
Energy: 0.4979944104000109
Energy: 0.4982977605811969
Energy: 0.4245340779438473
Energy: 0.49870088496821896
Energy: 0.4744224819701204
Energy: 0.4287864264599466
Energy: 0.42441006847518914
Energy: 0.49599734782199806
Energy: 0.4264647757377926
Energy: 0.46446706415923045
Energy: 0.4467755167078285
Energy: 0.5110558358746183
Energy: 0.4985952654162662
Energy: 0.4998090750995855
Energy: 0.5308987849561523
Energy: 0.5003268288856842
Energy: 0.43758779166285927
Energy: 0.5135555624533662
Energy: 0.5129937399285238
Energy: 0.4382415423948144
Energy: 0.4885422233441832
Energy: 0.43661864677556267
Energy: 0.4368214415973851
Energy: 0.4967841665757019
Energy: 0.5098257057767855
Energy: 0.4368717226136024
Energy: 0.49655762530941305
Energy: 0.4745893704445212
Energy: 0.5518674571904143
Energy: 0.4886399641309079
Energy: 0.5378060170999901
Energy: 0.5301510359737006
Energy: 0.48859791562719423
Energy: 0.48487616441907294
Energy: 0.521693565503269
Energy: 0.4891956922047628
Energy: 0.48919373569154345
Energy: 0.4880534157510189
Energy: 0.4924956822885468
Energy: 0.43651683193093993
Energy: 0.49547311664705085
Energy: 0.5300176932160888
Energy: 0.4890934959019151
Energy: 0.49073055596667864
Energy: 0.5722762572241927
Energy: 0.4848772061307213
Energy: 0.5868748985660706
Energy: 0.48888668760305115
Energy: 0.49271026982809557
Energy: 0.5357823215678132
Energy: 0.5988251159976767
Energy: 0.4891823408053515
Energy: 0.6775596153101134
Energy: 0.474859536035547
Energy: 0.48762001393572124
Energy: 0.6774323413767325
Energy: 0.47361076593686285
Energy: 0.49164551998369277
Energy: 0.574419553426697
Energy: 0.4896243200790089
Energy: 0.4900013772004314
Energy: 0.5751089241517229
Energy: 0.4923670850951744
Energy: 0.4909739342445342
Energy: 0.5119806644205002
Energy: 0.5331975053498513
Energy: 0.5306461366164411
Energy: 0.444987510353747
Energy: 0.5277238409671723
Energy: 0.44485235044743526
Energy: 0.5378540728089679
Energy: 0.49421156481378076
Energy: 0.4896423683356633
Energy: 0.5384730504366931
Energy: 0.49147681080373506
Energy: 0.5307487798230361
Energy: 0.5712539948971826
Energy: 0.5312663152868311
Energy: 0.48879415824194067
Energy: 0.5722045903139796
Energy: 0.5318386384287525
Energy: 0.49136640339901
Energy: 0.4888744544253103
Energy: 0.499095549242364
Energy: 0.44500711503965534
Energy: 0.48898290802048044
Energy: 0.5012309575367436
Energy: 0.47587419178852874
Energy: 0.49026556665163734
Energy: 0.4856960815699151
Energy: 0.487886378443228
Energy: 0.49094565860672973
Energy: 0.4851957297218311
Energy: 0.48885231289319847
Energy: 0.44563947736863446
Energy: 0.530566952530423
Energy: 0.48746823088070523
Energy: 0.5028778014402884
Energy: 0.5519462183406241
Energy: 0.49892690475387286
Energy: 0.45284252027259686
Energy: 0.4396481569921567
Energy: 0.43667800782221533
Energy: 0.4539049490354637
Energy: 0.4384648123728983
Energy: 0.4366578840539839
Energy: 0.5695247817977281
Energy: 0.5138581008873472
Energy: 0.5114343092375294
Energy: 0.5150244565727341
Energy: 0.4369479480308511
Energy: 0.5114742396908207
Energy: 0.43027135538947353
Energy: 0.4991827210025669
Energy: 0.5016072424869749
Energy: 0.42459102545736227
Energy: 0.4939683021871131
Energy: 0.4996569912966408
Energy: 0.4270763274574117
Energy: 0.5002763815491132
Energy: 0.49914560363686566
Energy: 0.4276999677442482
Energy: 0.501355711809533
Energy: 0.4664498809759075
Energy: 0.6111931307382282
Energy: 0.5002547702547825
Energy: 0.4980151496005014
Energy: 0.49695830466762375
Energy: 0.5031212763340132
Energy: 0.49692707290515414
Energy: 0.44975258542078034
Energy: 0.42722265942033716
Energy: 0.42426538542421366
Energy: 0.44987910893586763
Energy: 0.42625249274955823
Energy: 0.424365169085653
Energy: 0.6696895448598795
Energy: 0.46274102738080947
Energy: 0.49677176688748276
Energy: 0.49653949188905133
Energy: 0.46345411657597846
Energy: 0.4967787560865568
Energy: 0.4417572620523151
Energy: 0.5104498384150951
Energy: 0.5099312278950362
Energy: 0.442210881950832
Energy: 0.512361211495909
Energy: 0.5109459394136884
Energy: 0.44087735725133537
Energy: 0.4647564125831222
Energy: 0.47724142062447983
Energy: 0.4413983858848496
Energy: 0.49901466286618223
Energy: 0.4745619383792465
Energy: 0.5447797964640387
Energy: 0.5229732161010048
Energy: 0.48528334450759825
Energy: 0.5384855380638858
Energy: 0.4887292772779104
Energy: 0.48775810234606
Energy: 0.48372431209575323
Energy: 0.49183322367954196
Energy: 0.4892136496340967
Energy: 0.47699231855832547
Energy: 0.490033731673048
Energy: 0.4892886083064324
Energy: 0.7435448569188479
Energy: 0.5712759404054631
Energy: 0.4876760179117257
Energy: 0.4758944105088405
Energy: 0.5746946655750975
Energy: 0.4736094180564545
Energy: 0.5941492541420238
Energy: 0.49304201789930185
Energy: 0.49007684435968046
Energy: 0.5946262989100933
Energy: 0.5295894739581464
Energy: 0.5067059993011819
Energy: 0.5396271303804892
Energy: 0.4752588766687189
Energy: 0.5043918605231553
Energy: 0.5397386976908606
Energy: 0.4776153307025591
Energy: 0.5308303663404796
Energy: 0.6271380548999935
Energy: 0.4609802160917424
Energy: 0.48854148328001773
Energy: 0.571174664918955
Energy: 0.4883492113902796
Energy: 0.4901991343420611
Energy: 0.5377508963332174
Energy: 0.5301775042742709
Energy: 0.49060133048602855
Energy: 0.5366890075519961
Energy: 0.5271681592983439
Energy: 0.5306910049407683

minimum gb energy = 0.42426538542421366 eV
minimum distance =  2.60546873081407 Angstroms
sigma value = 57


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

Energy: 0.7277971781994206
Energy: 0.524770429760913
Energy: 0.4517772758510099
Energy: 0.48871510690443903
Energy: 0.6805367606486439
Energy: 0.45234648698404184
Energy: 0.613074331819696
Energy: 0.4768449229436169
Energy: 0.4796073794937929
Energy: 0.47879891120618473
Energy: 0.49183461862058336
Energy: 0.4810470471937385
Energy: 0.5410093447951879
Energy: 0.4135654124903775
Energy: 0.41252947370875936
Energy: 0.5413289155661924
Energy: 0.44582888461326403
Energy: 0.43439883272378504
Energy: 0.4938671674523653
Energy: 0.41348115027861176
Energy: 0.43495378066975837
Energy: 0.4938858204433677
Energy: 0.5853536523296774
Energy: 0.43435711440051383
Energy: 0.4348018928833382
Energy: 0.46786140945415144
Energy: 0.47019829440044447
Energy: 0.4350304442682957
Energy: 0.5033697602473799
Energy: 0.5121184554904676
Energy: 0.6642929242980073
Energy: 0.42430469430082757
Energy: 0.41267774029277043
Energy: 0.465729947059137
Energy: 0.4350400307448294
Energy: 0.4130585216814388
Energy: 0.47668689108165596
Energy: 0.42947719751997476
Energy: 0.431191121787293
Energy: 0.4694223224633426
Energy: 0.42791966350817534
Energy: 0.4892888797412245
Energy: 0.5338065153863899
Energy: 0.4733490146548323
Energy: 0.4701621690163073
Energy: 0.5333883498413994
Energy: 0.47521556190900777
Energy: 0.475630948801639
Energy: 0.40759847019267054
Energy: 0.4782565640551073
Energy: 0.4447385961551603
Energy: 0.40824032985409375
Energy: 0.5367809723065231
Energy: 0.4141523537016075
Energy: 0.417068879689616
Energy: 0.4720681308034282
Energy: 0.4724314835826932
Energy: 0.406684490933218
Energy: 0.4737321143966629
Energy: 0.4727889701069784
Energy: 0.39993724867780217
Energy: 0.4065590692682401
Energy: 0.46603624030883445
Energy: 0.4712558323665136
Energy: 0.4046024474526373
Energy: 0.467709654955512
Energy: 0.40976257319818926
Energy: 0.40245999271867666
Energy: 0.4040180362855747
Energy: 0.4105077237919893
Energy: 0.4010376450703285
Energy: 0.4640490279721437
Energy: 0.47054770751379554
Energy: 0.4670545199109253
Energy: 0.4753160920492938
Energy: 0.4702371073396901
Energy: 0.4683841222833419
Energy: 0.46398557461378076
Energy: 0.39657633017273836
Energy: 0.4686260770353412
Energy: 0.43366399509095194
Energy: 0.3976786499008853
Energy: 0.5322418899981707
Energy: 0.4037792731109248
Energy: 0.39691158332079446
Energy: 0.4730310916601303
Energy: 0.47093279922378956
Energy: 0.39696259995222677
Energy: 0.4641470902327759
Energy: 0.46862449493403713
Energy: 0.4745761975904483
Energy: 0.4146852537295653
Energy: 0.47180150498174045
Energy: 0.4729764052893923
Energy: 0.41297530454969905
Energy: 0.4705085613488234
Energy: 0.4336558972536241
Energy: 0.4133094095909606
Energy: 0.4146552197197722
Energy: 0.4314192048772523
Energy: 0.4111650234555504
Energy: 0.4455403965962698
Energy: 0.42454285421404586
Energy: 0.4432834094982048
Energy: 0.4455210186223581
Energy: 0.4242607492875185
Energy: 0.49956862560795967
Energy: 0.44824360034704946
Energy: 0.4245506570000271
Energy: 0.49207422231146275
Energy: 0.42444841281909607
Energy: 0.4255650545316907
Energy: 0.4802057690381879
Energy: 0.43162702455498186
Energy: 0.52231773772658
Energy: 0.4719128846402783
Energy: 0.4514050520729881
Energy: 0.5227390533114867
Energy: 0.4718554108577333
Energy: 0.5111304557874004
Energy: 0.5246071901765014
Energy: 0.48162664280185663
Energy: 0.48032978405378024
Energy: 0.5063262951028163
Energy: 0.4799494132752606
Energy: 0.511678000928661
Energy: 0.4615707702830487
Energy: 0.47995034117492685
Energy: 0.45016666154621127
Energy: 0.44048780409633115
Energy: 0.4779696227153723
Energy: 0.4241392079937187
Energy: 0.48319708578065335
Energy: 0.5080714988712328
Energy: 0.47970138542700475
Energy: 0.48408865057257444
Energy: 0.5416794767342245
Energy: 0.4856311851407151
Energy: 0.5088897589876771
Energy: 0.46627617193288995
Energy: 0.47518072092330776
Energy: 0.5092727331964069
Energy: 0.5675346339928621
Energy: 0.47850419926297894
Energy: 0.543944437243452
Energy: 0.4596517257242434
Energy: 0.42385078055014397
Energy: 0.5604441807654226
Energy: 0.45862494249695834
Energy: 0.4725316463033863
Energy: 0.5923747612731458
Energy: 0.4804741810759752
Energy: 0.4799122314242225
Energy: 0.5932657075139862
Energy: 0.5024395519179699
Energy: 0.4810606821293495
Energy: 0.434919011800071
Energy: 0.5091941033668919
Energy: 0.4346990744911603
Energy: 0.47858311707775053
Energy: 0.5448624995910067
Energy: 0.4345826035804834

minimum gb energy = 0.39657633017273836 eV
minimum distance =  2.60538611764159 Angstroms
sigma value = 43


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

Energy: 0.6829208178086517
Energy: 0.4743817122148223
Energy: 0.4152878007052032
Energy: 0.4250438084408779
Energy: 0.5697482548533658
Energy: 0.39486280655213873
Energy: 0.44835271326042053
Energy: 0.4250900482294648
Energy: 0.42472301507299226
Energy: 0.4246409944411858
Energy: 0.45794347586288586
Energy: 0.4188589890672567
Energy: 0.4743425195599656
Energy: 0.41521368316228274
Energy: 0.3748981125974343
Energy: 0.47514040456766754
Energy: 0.41569012978329184
Energy: 0.37498046846159633
Energy: 0.43959358413166566
Energy: 0.3747759739716869
Energy: 0.37508487832866777
Energy: 0.44045433694328734
Energy: 0.4792052540705777
Energy: 0.3953094556091423
Energy: 0.39652553907701665
Energy: 0.4195819309116603
Energy: 0.4188324641129915
Energy: 0.39614972684917066
Energy: 0.4363299779996841
Energy: 0.4175238001017344
Energy: 0.6378704387793627
Energy: 0.38542529935149333
Energy: 0.3749710038481974
Energy: 0.40521391356452985
Energy: 0.3853208400909018
Energy: 0.4011473576799521
Energy: 0.42630616648768377
Energy: 0.3855396393557453
Energy: 0.38531913617461055
Energy: 0.3858647737242106
Energy: 0.3882402884079639
Energy: 0.3873625394220251
Energy: 0.4643085917688089
Energy: 0.4053690190881221
Energy: 0.4110744155682086
Energy: 0.46527855631363746
Energy: 0.40310928106000066
Energy: 0.3585149942168156
Energy: 0.3680109314343862
Energy: 0.411325614494973
Energy: 0.3670768222891348
Energy: 0.3687239433208509
Energy: 0.46011006521772524
Energy: 0.3672812299118581
Energy: 0.3590013316161253
Energy: 0.4171216720210826
Energy: 0.41793085156565346
Energy: 0.36724324432384314
Energy: 0.38749223239758734
Energy: 0.41909674773694405
Energy: 0.45446089019927677
Energy: 0.35312315287177204
Energy: 0.40915322662612624
Energy: 0.3994186835050649
Energy: 0.3531110380472457
Energy: 0.40604730064019184
Energy: 0.45748872654826866
Energy: 0.35331573742957467
Energy: 0.35338077491932673
Energy: 0.45842395986291234
Energy: 0.3570042222653358
Energy: 0.4085220976307612
Energy: 0.45752165358667596
Energy: 0.4012306000305297
Energy: 0.4041939267295763
Energy: 0.4583537915883686
Energy: 0.39888167691206283
Energy: 0.4141967229867077
Energy: 0.344536297562193
Energy: 0.4552758287787826
Energy: 0.3440867811094497
Energy: 0.3451553300548796
Energy: 0.4545955452921877
Energy: 0.34414287621369627
Energy: 0.3441772380090909
Energy: 0.4021466132536874
Energy: 0.4030206444150017
Energy: 0.34411400618420707
Energy: 0.40013179000132315
Energy: 0.4068960300459079
Energy: 0.4044078330879002
Energy: 0.3397855246908553
Energy: 0.39922475266058544
Energy: 0.3967350711977747
Energy: 0.3398731123950458
Energy: 0.40115969027448783
Energy: 0.4556629659881726
Energy: 0.339701500345368
Energy: 0.339763882070605
Energy: 0.47070573666664417
Energy: 0.3396122499589991
Energy: 0.3992795581889678
Energy: 0.4553108236415815
Energy: 0.4001890422276602
Energy: 0.3992201182869106
Energy: 0.4561675940619952
Energy: 0.4006300322918452
Energy: 0.39950951177112604
Energy: 0.3396434710466379
Energy: 0.4523484804646147
Energy: 0.3397655711703478
Energy: 0.34061588177103014
Energy: 0.45423533815858086
Energy: 0.3395958625212083
Energy: 0.45457769577006063
Energy: 0.40104837015657335
Energy: 0.4027782774994716
Energy: 0.4556495068067846
Energy: 0.40097442968050434
Energy: 0.40236669996247976
Energy: 0.4552047658118256
Energy: 0.3441465662800729
Energy: 0.34397920470838805
Energy: 0.4386657780585915
Energy: 0.34403127108196085
Energy: 0.4017158050064284
Energy: 0.34195154120228965
Energy: 0.34426801115235306
Energy: 0.3784005361046772
Energy: 0.3998885587540528
Energy: 0.3443785874314406
Energy: 0.4035904104191004
Energy: 0.353110720748416
Energy: 0.41602375803868796
Energy: 0.4061354862256163
Energy: 0.35306001774385676
Energy: 0.4253524533155842
Energy: 0.41204745914488716
Energy: 0.35358758775378113
Energy: 0.45787170441378916
Energy: 0.35339791142986576
Energy: 0.35395541257126906
Energy: 0.4579679097355171
Energy: 0.3536083056087231
Energy: 0.46159376680197545
Energy: 0.4021941661349255
Energy: 0.4077859268385958
Energy: 0.4624934733332977
Energy: 0.4004914151530235
Energy: 0.38271839386167006
Energy: 0.46592940584346226
Energy: 0.3674741327040305
Energy: 0.36722769202826316
Energy: 0.4419645460247193
Energy: 0.36733937388055343
Energy: 0.4186706811720948
Energy: 0.4089787054637322
Energy: 0.3671874703905502
Energy: 0.39440233347495746
Energy: 0.4018611401020008
Energy: 0.3670886245721706
Energy: 0.3825045228373141
Energy: 0.38533203012942463
Energy: 0.4015825263304634
Energy: 0.42581910849642446
Energy: 0.3854283722632643
Energy: 0.4078756582070542
Energy: 0.42456100708904604
Energy: 0.3865484114089652
Energy: 0.41864149792093197
Energy: 0.3855667067018655
Energy: 0.38721273559708713
Energy: 0.428565035442186
Energy: 0.3854678885592323
Energy: 0.4580027119956808
Energy: 0.3828255048994509
Energy: 0.41858710545860134
Energy: 0.45869377979531695
Energy: 0.40928003212152236
Energy: 0.36720450112550623
Energy: 0.4525103823420299
Energy: 0.42629081020602033
Energy: 0.4261233470569037
Energy: 0.3887441742089165
Energy: 0.42744055477856857
Energy: 0.41960686261670865
Energy: 0.6606346788413109
Energy: 0.4242577684288246
Energy: 0.40489877211702263
Energy: 0.4103183550679291
Energy: 0.4243466687313207
Energy: 0.3976200879924533
Energy: 0.4270675902407607
Energy: 0.4244707227757364
Energy: 0.42419736166628114
Energy: 0.42683642330015265
Energy: 0.4732011890681905
Energy: 0.42412429488129505
Energy: 0.46539495655846447
Energy: 0.38605895952521563
Energy: 0.38574406425498414
Energy: 0.4660517706089284
Energy: 0.4806993900302931
Energy: 0.4242757256028492
Energy: 0.4744547069596753
Energy: 0.39514716981587356
Energy: 0.38522632444325094
Energy: 0.46858449421550696
Energy: 0.3958594331667569
Energy: 0.38582221757306445
Energy: 0.4483527188957512
Energy: 0.42451992651813303
Energy: 0.42437337068047537
Energy: 0.45099461923928713
Energy: 0.46841315620604984
Energy: 0.4246939824757579

minimum gb energy = 0.3395958625212083 eV
minimum distance =  2.59403665591115 Angstroms
sigma value = 81


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

Energy: 0.08420423724607172
Energy: 0.10554257085348037
Energy: 0.08472827464975917
Energy: 0.08577664971540229
Energy: 0.10564892256691083
Energy: 0.08440987059549468
Energy: 0.10667342440345626
Energy: 0.08469620469615814
Energy: 0.08458961786534823
Energy: 0.10713410192820204
Energy: 0.08703884428553599
Energy: 0.08467008779260077
Energy: 0.10562612155713637
Energy: 0.08452085313541229
Energy: 0.08454626127713533
Energy: 0.10559681963318297
Energy: 0.08445653244523939
Energy: 0.10590233185717651
Energy: 0.0865518224157887
Energy: 0.08446802970022674
Energy: 0.08481297893613012
Energy: 0.08753882517726466
Energy: 0.08445386790498184
Energy: 0.10632829974703775
Energy: 0.10591484438931696
Energy: 0.10660058921042725
Energy: 0.10671369477016736
Energy: 0.10666179672650673
Energy: 0.10548211737697138
Energy: 0.10653716002820572
Energy: 0.08491856276290059
Energy: 0.08464614542276752
Energy: 0.08492681155479935
Energy: 0.08596959158889621
Energy: 0.08471586188281893
Energy: 0.0846528815274797
Energy: 0.10761760764147506
Energy: 0.08475247143206086
Energy: 0.0846169505206459
Energy: 0.10679701201846396
Energy: 0.08893884898680127
Energy: 0.08468970923396973
Energy: 0.10671940276435501
Energy: 0.08437974753556537
Energy: 0.0846848488639739
Energy: 0.10663150788717941
Energy: 0.08442376584135107
Energy: 0.10620001719767048
Energy: 0.08526988175969157
Energy: 0.08455224256470577
Energy: 0.10765816277968843
Energy: 0.08648676432496685
Energy: 0.08476330560422177
Energy: 0.10733016101200471
Energy: 0.08481863714096308
Energy: 0.10558177037900872
Energy: 0.1067956601071443
Energy: 0.08479812870295675
Energy: 0.10521429548881936
Energy: 0.10703488575908454

minimum gb energy = 0.08420423724607172 eV
minimum distance =  2.83353906973853 Angstroms
sigma value = 3


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

Energy: 0.715146342290562
Energy: 0.4580645164630571
Energy: 0.47715153785868114
Energy: 0.4466314655896809
Energy: 0.44706057597156673
Energy: 0.448112671885137
Energy: 0.45143879474763915
Energy: 0.4536705457378356
Energy: 0.4524343867735515
Energy: 0.4720737226415421
Energy: 0.4649548814605529
Energy: 0.4439317849818064
Energy: 0.47157625673529135
Energy: 0.44360153037927474
Energy: 0.4435342574493817
Energy: 0.45552067583183764
Energy: 0.4700248296818517
Energy: 0.4517029778753998
Energy: 0.4400045425621358
Energy: 0.44365787581334865
Energy: 0.4436489813838156
Energy: 0.4409755740129224
Energy: 0.442900821729071
Energy: 0.4523629305364443
Energy: 0.4010324833472368
Energy: 0.4437393342189691
Energy: 0.4506825884432827
Energy: 0.401306489106257
Energy: 0.4433964515766587
Energy: 0.45068943045773485
Energy: 0.4118470952413105
Energy: 0.45378379381179273
Energy: 0.4437373898917301
Energy: 0.4240054008552518
Energy: 0.4374461245554532
Energy: 0.4237511790544126
Energy: 0.42868495126504225
Energy: 0.42486406459853515
Energy: 0.4516044122104947
Energy: 0.4312297379974952
Energy: 0.4053896534182836
Energy: 0.4978880788769073
Energy: 0.438309912880912
Energy: 0.42355357925780174
Energy: 0.4237721340548465
Energy: 0.4384160698363408
Energy: 0.4121351653855099
Energy: 0.41137335059905783
Energy: 0.4383830968369638
Energy: 0.4235309187084739
Energy: 0.44422832078477886
Energy: 0.43153195549783574
Energy: 0.4075210044034784
Energy: 0.44452691038625414
Energy: 0.40753451737165464
Energy: 0.4161793543921816
Energy: 0.4160265087914184
Energy: 0.4077025751566187
Energy: 0.40547790164516606
Energy: 0.41690195772728184
Energy: 0.39993792838949466
Energy: 0.4239526006001712
Energy: 0.4240403882962455
Energy: 0.4120229421432502
Energy: 0.4416081307380562
Energy: 0.4123656531617556
Energy: 0.3813436854525702
Energy: 0.42298763195401423
Energy: 0.42407292162442756
Energy: 0.38071977587594796
Energy: 0.41187741718498727
Energy: 0.3889347967567968
Energy: 0.38145488511200165
Energy: 0.4072407964211917
Energy: 0.412456624735852
Energy: 0.3814183051294923
Energy: 0.40692065103257063
Energy: 0.38128780739521306
Energy: 0.47468388535223915
Energy: 0.42114689755104884
Energy: 0.41240357659889526
Energy: 0.4128227328327642
Energy: 0.4215592277021773
Energy: 0.4136065220502372
Energy: 0.3941309664242919
Energy: 0.3685330670291568
Energy: 0.36828357507564946
Energy: 0.3949361383718766
Energy: 0.3699890154416668
Energy: 0.3804421852089319
Energy: 0.40011350715252614
Energy: 0.408361201252309
Energy: 0.4075591621736716
Energy: 0.40683374190621896
Energy: 0.4240658005625551
Energy: 0.4080791233779533
Energy: 0.36224185233187195
Energy: 0.40786600313650856
Energy: 0.4067261888699944
Energy: 0.36231026829450946
Energy: 0.41819253612175056
Energy: 0.36196750397494437
Energy: 0.36220649805689137
Energy: 0.40616837014792406
Energy: 0.40835214417042404
Energy: 0.36203676460072237
Energy: 0.4058616406184861
Energy: 0.40714149366311375
Energy: 0.5358857687648354
Energy: 0.4186127981341717
Energy: 0.4038149068667644
Energy: 0.40562771435005435
Energy: 0.4203154582954633
Energy: 0.40772811188405245
Energy: 0.38856066949670737
Energy: 0.3621199358012931
Energy: 0.3684657199740279
Energy: 0.3896373432715274
Energy: 0.3644279697530947
Energy: 0.3684085010806704
Energy: 0.39848076939053095
Energy: 0.4059858179404622
Energy: 0.40750402563574617
Energy: 0.4301957823957187
Energy: 0.42849711673403235
Energy: 0.4059370718821347
Energy: 0.3699679869718776
Energy: 0.40619154674246005
Energy: 0.39656074909819883
Energy: 0.37084050043913913
Energy: 0.41509168230953525
Energy: 0.3681370292393727
Energy: 0.3758236441425088
Energy: 0.4133783132233533
Energy: 0.4138020797169002
Energy: 0.37602710727077515
Energy: 0.4124115968637063
Energy: 0.4148705722803456
Energy: 0.5994746710681051
Energy: 0.38815325429337905
Energy: 0.39799739399912193
Energy: 0.4084238885517675
Energy: 0.39247178248080833
Energy: 0.407632207363648
Energy: 0.41050654986886614
Energy: 0.3936738147834263
Energy: 0.39367478911952924
Energy: 0.4114613964245363
Energy: 0.3905676562096576
Energy: 0.3914881068555028
Energy: 0.43875698846664735
Energy: 0.41581416105302577
Energy: 0.4157998467646839
Energy: 0.43937140986379764
Energy: 0.40748964016504524
Energy: 0.4239956549821328
Energy: 0.40441495031664515
Energy: 0.41589185163773623
Energy: 0.41615305704663247
Energy: 0.40527414030387426
Energy: 0.4347532396833356
Energy: 0.41560315879149023
Energy: 0.3903666488314583
Energy: 0.4422052976790415
Energy: 0.44473894670485037
Energy: 0.3900169068485493
Energy: 0.4318136295544228
Energy: 0.44411131002080345
Energy: 0.40448951746170203
Energy: 0.43836496037361705
Energy: 0.42544624783972523
Energy: 0.4162845428431755
Energy: 0.4385810104325955
Energy: 0.4158771224638679
Energy: 0.40396271241688214
Energy: 0.42992481131174926
Energy: 0.43065783901423144
Energy: 0.40446168964803547
Energy: 0.43193677128244584
Energy: 0.45213200302281137
Energy: 0.45706952427379405
Energy: 0.4302116844129838
Energy: 0.43018671879117426
Energy: 0.43797816313631766
Energy: 0.4158148968453926
Energy: 0.43027998078079177
Energy: 0.4709285700349766
Energy: 0.4305420417072931
Energy: 0.4563054830250648
Energy: 0.45357419383765796
Energy: 0.38993864564316527
Energy: 0.45284699746519036
Energy: 0.4114864645015574
Energy: 0.45506869127171795
Energy: 0.4531458851797116
Energy: 0.4115052960143924
Energy: 0.43995828177961227
Energy: 0.4477668801824517

minimum gb energy = 0.36196750397494437 eV
minimum distance =  2.56071036456538 Angstroms
sigma value = 67


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

Energy: 0.6948667397265955
Energy: 0.5322099667962831
Energy: 0.5346072528657818
Energy: 0.5006843952068593
Energy: 0.6683017897856034
Energy: 0.5360349326444649
Energy: 0.5234737417950913
Energy: 0.5299216249310561
Energy: 0.5195592399544714
Energy: 0.5436605002994109
Energy: 0.5451051770208832
Energy: 0.5215354577623995
Energy: 0.5414711807457588
Energy: 0.505389265381531
Energy: 0.523773028729776
Energy: 0.5412732405761209
Energy: 0.505382313764949
Energy: 0.5232421193835454
Energy: 0.513368551164536
Energy: 0.5222531200158064
Energy: 0.5222674610333695
Energy: 0.5140681934509473
Energy: 0.5076338749278951
Energy: 0.5227818424334872
Energy: 0.4904242936449477
Energy: 0.5168571577918564
Energy: 0.5299189451164132
Energy: 0.4904830633785347
Energy: 0.532594626784409
Energy: 0.5310257277299797
Energy: 0.5554704357017511
Energy: 0.52759065865984
Energy: 0.5054948399431457
Energy: 0.5053701447040702
Energy: 0.5651294674370249
Energy: 0.505543094141264
Energy: 0.4938967711611884
Energy: 0.5308990211890494
Energy: 0.533121182941316
Energy: 0.48869290528651593
Energy: 0.4949249515233977
Energy: 0.49127340878648534
Energy: 0.49640438656704405
Energy: 0.48858488964868046
Energy: 0.48686813205758883
Energy: 0.4968823970471069
Energy: 0.4831486392863
Energy: 0.4952169581551518
Energy: 0.47576037764439244
Energy: 0.5052328830208767
Energy: 0.5088109228945843
Energy: 0.5077291306575733
Energy: 0.47781654975683446
Energy: 0.5076097577419894
Energy: 0.468866809990879
Energy: 0.4554331234098617
Energy: 0.4748255521935015
Energy: 0.48707109492644407
Energy: 0.4526975434767012
Energy: 0.4691858085097363
Energy: 0.46757406784384337
Energy: 0.4924933515743386
Energy: 0.4868486914003621
Energy: 0.4837146015087574
Energy: 0.4968907843195527
Energy: 0.48636419786694646
Energy: 0.43574572688558394
Energy: 0.487736727409401
Energy: 0.48665201530815844
Energy: 0.43644579320277305
Energy: 0.4889535012802868
Energy: 0.4314756147855812
Energy: 0.43657686498837306
Energy: 0.4865833701037774
Energy: 0.4859913195641765
Energy: 0.43685992524596606
Energy: 0.478562980770888
Energy: 0.431778612965825
Energy: 0.5164380070938841
Energy: 0.4899143013127581
Energy: 0.47950786322762357
Energy: 0.4769433577120947
Energy: 0.48830063134982776
Energy: 0.4794135190788949
Energy: 0.4567199783748431
Energy: 0.4352970601343358
Energy: 0.44699943825341804
Energy: 0.4747880646504636
Energy: 0.4335463112853571
Energy: 0.4411233510913446
Energy: 0.45781909589852654
Energy: 0.48713353551501
Energy: 0.48509742613474194
Energy: 0.48573339789513115
Energy: 0.485702319155159
Energy: 0.48369558174623595
Energy: 0.4536577151980029
Energy: 0.48097313815669834
Energy: 0.4792100662554201
Energy: 0.45344901537453874
Energy: 0.4759139434860098
Energy: 0.4596793422590003
Energy: 0.4505776293365582
Energy: 0.5052201029003429
Energy: 0.5059785195240915
Energy: 0.46179207429042884
Energy: 0.4850021447428751
Energy: 0.45793183487837197
Energy: 0.6283011506804053
Energy: 0.5156521402366837
Energy: 0.4959416589765564
Energy: 0.48828768099133757
Energy: 0.5183323706838597
Energy: 0.4881170283266117
Energy: 0.47709154641779183
Energy: 0.49213573987073045
Energy: 0.5050431181296059
Energy: 0.47713779957967994
Energy: 0.48158193840087
Energy: 0.5048177165513228
Energy: 0.5187693420152252
Energy: 0.5201834871409381
Energy: 0.5270390729014702
Energy: 0.5196490471827496
Energy: 0.497567528590453
Energy: 0.5252796219764095
Energy: 0.5411738157093056
Energy: 0.4953473361715559
Energy: 0.5281280682653926
Energy: 0.5416250908486431
Energy: 0.4881779547187091
Energy: 0.5260461876686432
Energy: 0.5156636026050604
Energy: 0.5307820286173653
Energy: 0.5191567496584065
Energy: 0.5117831564787105
Energy: 0.5297356370474808
Energy: 0.5204596495041309

minimum gb energy = 0.4314756147855812 eV
minimum distance =  2.61149649178562 Angstroms
sigma value = 33


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

Energy: 0.7505972071205572
Energy: 0.5798192509982453
Energy: 0.6573633937473884
Energy: 0.5663787669823419
Energy: 0.6254620737400574
Energy: 0.5675544512359758
Energy: 0.5368444136522139
Energy: 0.5528729611077551
Energy: 0.5437931633548987
Energy: 0.5813661078899433
Energy: 0.5820613747332973
Energy: 0.5439869808256494
Energy: 0.5765093141728196
Energy: 0.5585288606418677
Energy: 0.5603206515696493
Energy: 0.5769331728488662
Energy: 0.5543929585731187
Energy: 0.5587297721293336
Energy: 0.5378285827406385
Energy: 0.5587448106835754
Energy: 0.5601436522285282
Energy: 0.5384684537434279
Energy: 0.5214805262671759
Energy: 0.561106647132552
Energy: 0.5104379141368004
Energy: 0.5683355085061285
Energy: 0.5652600496547351
Energy: 0.5101904566120055
Energy: 0.5951634324467345
Energy: 0.5600585357012942
Energy: 0.7055459313076461
Energy: 0.5615652730617351
Energy: 0.5591191587707289
Energy: 0.5360241594159059
Energy: 0.5999545535258817
Energy: 0.536319214431876
Energy: 0.5109426063574052
Energy: 0.5632235921335816
Energy: 0.5652812238438879
Energy: 0.5179912599312819
Energy: 0.5384995231944932
Energy: 0.5177861113294976
Energy: 0.5128784573612819
Energy: 0.5366887621688081
Energy: 0.5366904531117421
Energy: 0.5113921006633745
Energy: 0.5362689987269336
Energy: 0.5192965408170576
Energy: 0.51408984481966
Energy: 0.5158729755900832
Energy: 0.5379835133754912
Energy: 0.5389834830362737
Energy: 0.5018042550466787
Energy: 0.5361458773000545
Energy: 0.49742915293510315
Energy: 0.47358368849548216
Energy: 0.4852121567826509
Energy: 0.4969833665729389
Energy: 0.4737759677081604
Energy: 0.5090229184917758
Energy: 0.49702695147836057
Energy: 0.5232634997462422
Energy: 0.5221789335925072
Energy: 0.5208516579470875
Energy: 0.5235400069017746
Energy: 0.5216117109552143
Energy: 0.4738018772783858
Energy: 0.5199810964913879
Energy: 0.5278425360421869
Energy: 0.47359644256399824
Energy: 0.5198911655402348
Energy: 0.4729350117421945
Energy: 0.47397643765688646
Energy: 0.5415704773986739
Energy: 0.5182728692915423
Energy: 0.48668179073331186
Energy: 0.51836832218402
Energy: 0.48565105495073474
Energy: 0.4997489908577468
Energy: 0.5449504688337825
Energy: 0.5366999413754628
Energy: 0.5188933877564316
Energy: 0.5433153033497449
Energy: 0.523441603067059
Energy: 0.512061821243659
Energy: 0.5264454555955134
Energy: 0.5364247339256534
Energy: 0.5115280747033039
Energy: 0.5117209806655204
Energy: 0.534062286331999
Energy: 0.5387484505782186
Energy: 0.5513706613894006
Energy: 0.5549781736186463
Energy: 0.5644732847149152
Energy: 0.4820910377231589
Energy: 0.5630232086603485
Energy: 0.5669008915534196
Energy: 0.5510754899697468
Energy: 0.55125997454759
Energy: 0.5671512402358352
Energy: 0.5512456519975663
Energy: 0.551283353215812
Energy: 0.5821995741162974
Energy: 0.5471022847120558
Energy: 0.5474665422095649
Energy: 0.5744256586448714
Energy: 0.5553053006566073
Energy: 0.5673928094687625
Energy: 0.7512272992807266
Energy: 0.5527987083900084
Energy: 0.5625199298667017
Energy: 0.550915426515026
Energy: 0.5894968704169484
Energy: 0.5516920557462622
Energy: 0.5368493642346405
Energy: 0.5525918562508654
Energy: 0.563675311930729
Energy: 0.5358900435580042
Energy: 0.5818558879173005
Energy: 0.5629045159272854
Energy: 0.5776829271791173
Energy: 0.5585225214119376
Energy: 0.5594681017065336
Energy: 0.5781855285159445
Energy: 0.5441268892907155
Energy: 0.5598511369242626
Energy: 0.539114709856402
Energy: 0.5586388391542474
Energy: 0.5605361363699086
Energy: 0.5395574455502973
Energy: 0.5610500791763787
Energy: 0.5593878661134501
Energy: 0.5105735393289412
Energy: 0.567711693039175
Energy: 0.544117342570248
Energy: 0.5104491473835754
Energy: 0.5949023352699411
Energy: 0.5601925259421047
Energy: 0.7054427021430489
Energy: 0.5622758872063941
Energy: 0.562205696125027
Energy: 0.5358105783331882
Energy: 0.5982775189196495
Energy: 0.5318666820595965
Energy: 0.5109078064615801
Energy: 0.563784031196067
Energy: 0.5605394893714155
Energy: 0.519265526602455
Energy: 0.5394361002375264
Energy: 0.531700203508298
Energy: 0.5126679260666506
Energy: 0.5367766251568349
Energy: 0.5376608697455473
Energy: 0.5134035992976987
Energy: 0.5369949184743784
Energy: 0.520183069157721
Energy: 0.5439436927951602
Energy: 0.5367215450314007
Energy: 0.5380847976030011
Energy: 0.5439040635670775
Energy: 0.5016261379264582
Energy: 0.5361885180938986
Energy: 0.49658957847927293
Energy: 0.4733934105730579
Energy: 0.4979779162578717
Energy: 0.49710391670205334
Energy: 0.47434236908502997
Energy: 0.49801198057176005
Energy: 0.6288288001814065
Energy: 0.5218796115789804
Energy: 0.5247325505926851
Energy: 0.5201058971965251
Energy: 0.5224372228126406
Energy: 0.523359301218666
Energy: 0.47333616460003075
Energy: 0.5200965484320244
Energy: 0.5213021294570918
Energy: 0.4734210903956922
Energy: 0.520652298709291
Energy: 0.4727353541392665
Energy: 0.47630136146709345
Energy: 0.5413122110486895
Energy: 0.5193310002226681
Energy: 0.47381443952984226
Energy: 0.5141045441917517
Energy: 0.4857476669314849
Energy: 0.5001315268236146
Energy: 0.5398413368395354
Energy: 0.5386807760581125
Energy: 0.5196836025655889
Energy: 0.5432866389282361
Energy: 0.5222769791687695
Energy: 0.5094516488322015
Energy: 0.5242282337521623
Energy: 0.5241225532658276
Energy: 0.5095748277052266
Energy: 0.5117066241195826
Energy: 0.5322302556664471
Energy: 0.5743247175138898
Energy: 0.48283972707226885
Energy: 0.562536612066992
Energy: 0.5633979241267172
Energy: 0.4819883294533249
Energy: 0.5640875058502659
Energy: 0.5673743949361718
Energy: 0.5511490128260854
Energy: 0.5512665539030717
Energy: 0.5679038323235719
Energy: 0.5196486951550031
Energy: 0.5511938791679574
Energy: 0.5817493966236146
Energy: 0.5478489910379296
Energy: 0.5486150942927999
Energy: 0.5740453731001025
Energy: 0.5548479910926939
Energy: 0.5456138674372938
Energy: 0.562002878258833
Energy: 0.5525546323974962
Energy: 0.562605916836617
Energy: 0.5509921747487654
Energy: 0.590662416362518
Energy: 0.5510582496372328

minimum gb energy = 0.4727353541392665 eV
minimum distance =  2.55069163916227 Angstroms
sigma value = 41


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

Energy: 0.6889900179030989
Energy: 0.6262972678049783
Energy: 0.6230303852728367
Energy: 0.6906010662717609
Energy: 0.8119098675959592
Energy: 0.6240673624534472
Energy: 0.5477156463197332
Energy: 0.5760289198739829
Energy: 0.591414998071308
Energy: 0.6069497959085591
Energy: 0.6062965660026737
Energy: 0.5898630855951336
Energy: 0.6105490812214458
Energy: 0.6154172534654875
Energy: 0.5932032736869038
Energy: 0.6110284251110889
Energy: 0.5790786926460177
Energy: 0.5900949798204527
Energy: 0.576782735818114
Energy: 0.6156779025332008
Energy: 0.6159298829931751
Energy: 0.5775287753016907
Energy: 0.5316947309174741
Energy: 0.5745136298407293
Energy: 0.5759829852129222
Energy: 0.5945562628626533
Energy: 0.5915394221945526
Energy: 0.5745705756755967
Energy: 0.6068946330290426
Energy: 0.5918815676793006
Energy: 0.6570830060245566
Energy: 0.5920179827405619
Energy: 0.5946772273433075
Energy: 0.6568375521887099
Energy: 0.6390977839834073
Energy: 0.5948111134410683
Energy: 0.5300956691651632
Energy: 0.5978571930076927
Energy: 0.5963890609249222
Energy: 0.5302121972514009
Energy: 0.5978078213015364
Energy: 0.5676053410604953
Energy: 0.5334483690640442
Energy: 0.5931650796435868
Energy: 0.5732431854139646
Energy: 0.53390556934797
Energy: 0.590533505143552
Energy: 0.5508752497867195
Energy: 0.5336535079337233
Energy: 0.5641813881894954
Energy: 0.5896922124814455
Energy: 0.5635719074579254
Energy: 0.5535006617836667
Energy: 0.5890772140736861
Energy: 0.5569825343612521
Energy: 0.5512469594207551
Energy: 0.5493407384584433
Energy: 0.5323199796379091
Energy: 0.5308615487502956
Energy: 0.5539041783926532
Energy: 0.5695555203140973
Energy: 0.5486409741161378
Energy: 0.595240929398784
Energy: 0.5965568528594071
Energy: 0.5101648589985894
Energy: 0.5964688042885558
Energy: 0.6069505592318541
Energy: 0.5875510830200428
Energy: 0.5881243686746844
Energy: 0.6074510587578362
Energy: 0.5874235149607614
Energy: 0.5712491887432544
Energy: 0.6044398633541637
Energy: 0.5939505634781223
Energy: 0.5938436133192848
Energy: 0.6051484663329263
Energy: 0.5757780822096721
Energy: 0.5914432719738685
Energy: 0.649502830586319
Energy: 0.5748703401459742
Energy: 0.5905544788253192
Energy: 0.6498221240134586
Energy: 0.623277539085075
Energy: 0.5933120417763358

minimum gb energy = 0.5101648589985894 eV
minimum distance =  2.57220305933052 Angstroms
sigma value = 11


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

Energy: 0.8451080755157492
Energy: 0.7563740559411801
Energy: 0.5680496507401347
Energy: 0.845215859129056
Energy: 0.6257340335699082
Energy: 0.6183613092976699
Energy: 0.6023500190477751
Energy: 0.5385574947954881
Energy: 0.5384867793317456
Energy: 0.6277023234011782
Energy: 0.5453564728208631
Energy: 0.5564381187379314
Energy: 0.6273597649219471
Energy: 0.5648870467028574
Energy: 0.5889299181818685
Energy: 0.627859380686935
Energy: 0.5584576111515593
Energy: 0.5966884621126507
Energy: 0.5690044540002466
Energy: 0.5679031010288516
Energy: 0.5848303155644383
Energy: 0.5685725499181696
Energy: 0.5379347086404302
Energy: 0.5937109107410619
Energy: 0.574844531241145
Energy: 0.5588536186210333
Energy: 0.5671179158287118
Energy: 0.5793710085728702
Energy: 0.5470878317983954
Energy: 0.5696858050283842
Energy: 0.596156890917961
Energy: 0.5858405158272273
Energy: 0.5959988021514372
Energy: 0.5740507694917386
Energy: 0.5841233937347866
Energy: 0.6080108921813124
Energy: 0.5760586992026541
Energy: 0.6015811951403499
Energy: 0.6023659552217935
Energy: 0.5765167099790869
Energy: 0.6266384123109763
Energy: 0.5749838371570847
Energy: 0.545410609267533
Energy: 0.5787136860709755
Energy: 0.5702268897042191
Energy: 0.5460058680145068
Energy: 0.5787657286282892
Energy: 0.5640994540066517
Energy: 0.5443486515205406
Energy: 0.5784393748212814
Energy: 0.6340718211555152
Energy: 0.5443399420312868
Energy: 0.6395812937607877
Energy: 0.6186267636423335
Energy: 0.5430048116673724
Energy: 0.5777012671756545
Energy: 0.6340069451697354
Energy: 0.5430200740103157
Energy: 0.627859402716029
Energy: 0.6182048096499119
Energy: 0.5449685628390857
Energy: 0.5639133307866091
Energy: 0.556652457786872
Energy: 0.545711675024261
Energy: 0.5709544898763207
Energy: 0.550366237497974
Energy: 0.5570547776172038
Energy: 0.5879044230763435
Energy: 0.5799976413099378
Energy: 0.5572640307915906
Energy: 0.558555148091902
Energy: 0.5979844268248437
Energy: 0.5392860765487026
Energy: 0.5898550856621977
Energy: 0.5848500640738274
Energy: 0.539301927948189
Energy: 0.6182809248819129
Energy: 0.5566719730671594
Energy: 0.5746804561371693
Energy: 0.6199677892310927
Energy: 0.6200251150625117
Energy: 0.5754321278460265
Energy: 0.6279219341847787
Energy: 0.5860186458334984
Energy: 0.5383915672674668
Energy: 0.6369920082427862
Energy: 0.6353441926656235
Energy: 0.5385328766528162
Energy: 0.5823619675293122
Energy: 0.634640929436295
Energy: 0.5312972729262891
Energy: 0.594660724912993
Energy: 0.5864247081360573
Energy: 0.5319195570018752
Energy: 0.5821930849283484
Energy: 0.5573102433748401
Energy: 0.555113129727773
Energy: 0.5740920554283606
Energy: 0.6189105208318845
Energy: 0.5551088073342204
Energy: 0.5766960384789772
Energy: 0.6021047232559359
Energy: 0.6901493373264732
Energy: 0.5939430287466302
Energy: 0.594098104911807
Energy: 0.6921744151828768
Energy: 0.6241503844941066
Energy: 0.5825256201107113
Energy: 0.5553312665913016
Energy: 0.5627730906219546
Energy: 0.5786820026663286
Energy: 0.555362001776881
Energy: 0.5809898811350495
Energy: 0.5673590601336136
Energy: 0.6157005783277267
Energy: 0.5503158679760942
Energy: 0.5504393967892048
Energy: 0.6161022743341175
Energy: 0.5900421974911348
Energy: 0.5642312214429256
Energy: 0.5818901513554487
Energy: 0.5304835431634233
Energy: 0.5691648762208281
Energy: 0.5826771937675799
Energy: 0.5304027641208192
Energy: 0.5773817283944688
Energy: 0.5445411885523049
Energy: 0.5912105050291608
Energy: 0.5888750150826739
Energy: 0.5370685293481805
Energy: 0.582005774707329
Energy: 0.5698043960378522
Energy: 0.5293834605589811
Energy: 0.5958865098723578
Energy: 0.5751413705309164
Energy: 0.5666608169499298
Energy: 0.6192700695766808
Energy: 0.5825455610779429
Energy: 0.5823869076418112
Energy: 0.5571713234260048
Energy: 0.5674668104574297
Energy: 0.5811482933813414
Energy: 0.5581141026224814
Energy: 0.5753983316611707
Energy: 0.5842865933672422
Energy: 0.5980791288965892
Energy: 0.5790090309991106
Energy: 0.5842528383928224
Energy: 0.6224422490887226
Energy: 0.5744072564634733
Energy: 0.5938244269579811
Energy: 0.5604945519351374
Energy: 0.5831921775926261
Energy: 0.5894530499923841
Energy: 0.555467055001656
Energy: 0.6169350363722431
Energy: 0.5897404499035291
Energy: 0.5313878924794131
Energy: 0.5370913160113658
Energy: 0.5907970816782134
Energy: 0.5331416725099088
Energy: 0.5725808170513997
Energy: 0.5890097667482583
Energy: 0.5446195003329951
Energy: 0.5734979584237111
Energy: 0.5874170525597805
Energy: 0.5439220794464799
Energy: 0.6326271845741118
Energy: 0.6280800384909094
Energy: 0.5883428201457714
Energy: 0.5886374070732825
Energy: 0.6280020377186255
Energy: 0.6136221452615709
Energy: 0.5833510986754847
Energy: 0.626980444231651
Energy: 0.5390410017725806
Energy: 0.5536317902659283
Energy: 0.6271371432226278
Energy: 0.5390353758389255
Energy: 0.5637382140781521
Energy: 0.5307799398752701
Energy: 0.552675308096612
Energy: 0.6168501083803903
Energy: 0.5859292967594876
Energy: 0.5562796962626929
Energy: 0.5851221370954326

minimum gb energy = 0.5293834605589811 eV
minimum distance =  2.5823372092674 Angstroms
sigma value = 57


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

Energy: 0.7881062588624898
Energy: 0.5185020757597693
Energy: 0.572706193301702
Energy: 0.7888358200089561
Energy: 0.5797604248803905
Energy: 0.5731399608234565
Energy: 0.4799598462108099
Energy: 0.499643266639169
Energy: 0.4996815207457387
Energy: 0.5128227057164136
Energy: 0.5133245734493236
Energy: 0.4988185248290719
Energy: 0.514266010039496
Energy: 0.5425177682683368
Energy: 0.5431141067180444
Energy: 0.514961986623233
Energy: 0.5038233739030423
Energy: 0.5292040042433258
Energy: 0.4979774398955886
Energy: 0.5455122356029056
Energy: 0.5275670280407223
Energy: 0.49880942495659264
Energy: 0.4988787059079372
Energy: 0.5293375452516975
Energy: 0.5018342390056446
Energy: 0.5006756205149198
Energy: 0.49925586106230024
Energy: 0.501159079949973
Energy: 0.5156194282975464
Energy: 0.5731747424271628
Energy: 0.5287483174430113
Energy: 0.5018138174424215
Energy: 0.5311247062275304
Energy: 0.514591888889585
Energy: 0.5016160600876954
Energy: 0.5302754518487481
Energy: 0.5001779724259026
Energy: 0.512574466386369
Energy: 0.5125301271776715
Energy: 0.5007295790182851
Energy: 0.5148769987804312
Energy: 0.5312676232421573
Energy: 0.5132169887288106
Energy: 0.5007405510457257
Energy: 0.5514846660902893
Energy: 0.5140577059519512
Energy: 0.5015518647651392
Energy: 0.4990204711947046
Energy: 0.4802738873968099
Energy: 0.5012012190519997
Energy: 0.5647690666075533
Energy: 0.48031280415073846
Energy: 0.5005978772193833
Energy: 0.5662291489130051
Energy: 0.4802287417433328
Energy: 0.5009636298314547
Energy: 0.5646315505623622
Energy: 0.4804208524779924
Energy: 0.5151997235572957
Energy: 0.5660074128162181
Energy: 0.5134689361114767
Energy: 0.5007329063624063
Energy: 0.49936374618007096
Energy: 0.5143629540900343
Energy: 0.5130696056407125
Energy: 0.500564800671543
Energy: 0.49973828544860466
Energy: 0.5451739388270104
Energy: 0.5459383808121353
Energy: 0.5003620593123866
Energy: 0.6694456208825224
Energy: 0.5291026865253393
Energy: 0.5008487794776915
Energy: 0.4999925367268332
Energy: 0.5022948212342345
Energy: 0.5011851381447707
Energy: 0.5130575424918508
Energy: 0.49869975944193573
Energy: 0.5142203161037477
Energy: 0.5280300029250179
Energy: 0.5286578363839384
Energy: 0.5142566836191979
Energy: 0.5146291319674887
Energy: 0.568007905803451
Energy: 0.5016941849111201
Energy: 0.5151584314266171
Energy: 0.5467579987626864
Energy: 0.5011414614922618
Energy: 0.5145854435425536
Energy: 0.567595575129157
Energy: 0.5143783148966988
Energy: 0.5131848551683897
Energy: 0.5115890662961272
Energy: 0.5151349065914196
Energy: 0.5154725801344504
Energy: 0.5290733634220636
Energy: 0.4797980823779903
Energy: 0.4994567007625364
Energy: 0.5001852972990688
Energy: 0.4799673319076252
Energy: 0.5005658531210119
Energy: 0.49872871513033135

minimum gb energy = 0.4797980823779903 eV
minimum distance =  2.54719469267228 Angstroms
sigma value = 9


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

Energy: 0.9735757022884183
Energy: 0.5732912440699061
Energy: 0.5629086743292829
Energy: 0.6357915451487166
Energy: 0.6023639009327691
Energy: 0.5644417296790494
Energy: 0.5598293652294861
Energy: 0.5661736885262455
Energy: 0.5731325979099815
Energy: 0.5751753227383758
Energy: 0.5580422185257118
Energy: 0.563958077644176
Energy: 0.6230791607823077
Energy: 0.5878764634387116
Energy: 0.5756302412853171
Energy: 0.6235017099243725
Energy: 0.6260817186134366
Energy: 0.573671150840374
Energy: 0.5410509014116036
Energy: 0.5642379951262243
Energy: 0.5615200903842819
Energy: 0.5419979787591657
Energy: 0.5697553156911296
Energy: 0.5609508645146717
Energy: 0.5814164065296098
Energy: 0.5672087399947734
Energy: 0.580213572788775
Energy: 0.5821468540996257
Energy: 0.5603336411504889
Energy: 0.5539324765140222
Energy: 0.5589523195110265
Energy: 0.5371303832928592
Energy: 0.5416438414218667
Energy: 0.5594763674368997
Energy: 0.5481059004445736
Energy: 0.5410471093144267
Energy: 0.544083232810205
Energy: 0.574861403292564
Energy: 0.5521663239799051
Energy: 0.5448139984436177
Energy: 0.7372375747594582
Energy: 0.5523299426307421
Energy: 0.5490355563203263
Energy: 0.53515698416515
Energy: 0.5401848727072762
Energy: 0.5500020629999384
Energy: 0.5491745268287108
Energy: 0.5391936875633655
Energy: 0.5616700341720657
Energy: 0.5567668718338469
Energy: 0.5543276751517555
Energy: 0.5739794328956185
Energy: 0.5584049598683316
Energy: 0.5725032784186285
Energy: 0.5614040059936002
Energy: 0.5521398421051849
Energy: 0.5534747209858399
Energy: 0.5576893349836931
Energy: 0.5534275996368884
Energy: 0.5608146593749426
Energy: 0.5487632263398083
Energy: 0.5641617456230658
Energy: 0.5494341404841977
Energy: 0.5495936819868936
Energy: 0.560781545516601
Energy: 0.5390428252858717
Energy: 0.5572866128305688
Energy: 0.5728276893049551
Energy: 0.5429601610307726
Energy: 0.5580502399215931
Energy: 0.5826051476969382
Energy: 0.5708326057219174
Energy: 0.7355501812305149
Energy: 0.5588470483493628
Energy: 0.5450537396880538
Energy: 0.5771771720637833
Energy: 0.5424444078982288
Energy: 0.5339374726569417
Energy: 0.5748901778291452
Energy: 0.5758013035271651
Energy: 0.5733500795033226
Energy: 0.5738456253584835
Energy: 0.586747455462066
Energy: 0.5613378474085461
Energy: 0.5587515959408095
Energy: 0.5385026491207833
Energy: 0.5417448867557833
Energy: 0.5592423572930442
Energy: 0.5343045617808794
Energy: 0.5620952947320572
Energy: 0.6110765642934625
Energy: 0.5766019780290514
Energy: 0.5575132645191108
Energy: 0.6118766403108956
Energy: 0.5961889870539938
Energy: 0.5560437995698634
Energy: 0.5666552360116135
Energy: 0.5775400962886129
Energy: 0.5621231187667427
Energy: 0.567342834859367
Energy: 0.575450830728827
Energy: 0.5616394711370654
Energy: 0.669998190911596
Energy: 0.5674320976919449
Energy: 0.5695736051684537
Energy: 0.6707963527113123
Energy: 0.5657484822835028
Energy: 0.5867071788134377
Energy: 0.5654494238354635
Energy: 0.5729549789683764
Energy: 0.5639354479934426
Energy: 0.5662256518826818
Energy: 0.555417808824547
Energy: 0.593385866612779
Energy: 0.6032771375729873
Energy: 0.5443798577230234
Energy: 0.5639032723630224
Energy: 0.6039828679326323
Energy: 0.5741151274819024
Energy: 0.5633174594023683
Energy: 0.5423576816891158
Energy: 0.5650710362842206
Energy: 0.5630022316392329
Energy: 0.5488689841894753
Energy: 0.5559790690243629
Energy: 0.5617081893630452

minimum gb energy = 0.5339374726569417 eV
minimum distance =  2.52481569754732 Angstroms
sigma value = 27


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

Energy: 0.7078046066718969
Energy: 0.5986523483805088
Energy: 0.6483566533269708
Energy: 0.6992374586306932
Energy: 0.8136601369580877
Energy: 0.647771847177523
Energy: 0.5677089570775341
Energy: 0.584349737008126
Energy: 0.5859271777720075
Energy: 0.6082025283906306
Energy: 0.5843603680485545
Energy: 0.5669524905917575
Energy: 0.6466348845656257
Energy: 0.5847997196508581
Energy: 0.5734730064592912
Energy: 0.6468526610480816
Energy: 0.6028184943575106
Energy: 0.5732173031916458
Energy: 0.5722340284428779
Energy: 0.5883603199181914
Energy: 0.5670226044346433
Energy: 0.5730252204562568
Energy: 0.5880937685111792
Energy: 0.5669035498117743
Energy: 0.5961946900966901
Energy: 0.5960331536859743
Energy: 0.573064171508143
Energy: 0.5963625902899262
Energy: 0.6364523779109789
Energy: 0.5764852246655893
Energy: 0.5961482522642416
Energy: 0.564973934181972
Energy: 0.5629599843953402
Energy: 0.5969274227103594
Energy: 0.5719113396073177
Energy: 0.5626617330128406
Energy: 0.5699910523875007
Energy: 0.6062070667967824
Energy: 0.5376354007813765
Energy: 0.5699120223110229
Energy: 0.6045339193282053
Energy: 0.5361489885187974
Energy: 0.6090280235697788
Energy: 0.5384432937855674
Energy: 0.5621645909144805
Energy: 0.60979285062493
Energy: 0.5486268854860404
Energy: 0.5693881936041365
Energy: 0.6291664499076648
Energy: 0.574071112601241
Energy: 0.5753082116103001
Energy: 0.5874444207802552
Energy: 0.5732984398192801
Energy: 0.5744803391846649
Energy: 0.629561420129276
Energy: 0.5890464545281862
Energy: 0.5879916469361625
Energy: 0.5909844050925127
Energy: 0.603513946502945
Energy: 0.5860959160531216
Energy: 0.6116975983041129
Energy: 0.5889982624696886
Energy: 0.5926924870581972
Energy: 0.612014690571692
Energy: 0.571906460619467
Energy: 0.5873372126506539
Energy: 0.5704974533553463
Energy: 0.5824390827062116
Energy: 0.5818262964198078
Energy: 0.5709173586747656
Energy: 0.6142613542967644
Energy: 0.5816568861370571
Energy: 0.6052297102590587
Energy: 0.5770718027146972
Energy: 0.535447208109775
Energy: 0.6047853458320805
Energy: 0.5859488943707192
Energy: 0.5354362385304097
Energy: 0.6103799192074835
Energy: 0.5744528767458256
Energy: 0.5744865151761044
Energy: 0.6086551206099443
Energy: 0.6211798752574765
Energy: 0.5362846701095919
Energy: 0.5740705079177126
Energy: 0.5828232777783076
Energy: 0.5778250921335164
Energy: 0.5700494506780366
Energy: 0.5803968762071038
Energy: 0.5802954961159597
Energy: 0.6003604895700257
Energy: 0.5786215397748324
Energy: 0.5787544886596432
Energy: 0.6009028646687218
Energy: 0.5801771964218804
Energy: 0.5896410582324616
Energy: 0.5728895538785166
Energy: 0.5854765835268927
Energy: 0.5890153630844596
Energy: 0.57369405781106
Energy: 0.5864227469686712
Energy: 0.5890597619515384
Energy: 0.6171415200062202
Energy: 0.574668604465755
Energy: 0.5622383618106184
Energy: 0.6185678393995887
Energy: 0.5636875714177154
Energy: 0.5753231182251674
Energy: 0.5739892810782579
Energy: 0.5355413859982346
Energy: 0.5389138095133399
Energy: 0.5744664177449569
Energy: 0.5740836563643422
Energy: 0.5390299688812535
Energy: 0.6083492528649164
Energy: 0.5355232009780074
Energy: 0.5387122431966243
Energy: 0.6086467620699791
Energy: 0.5974646783945671
Energy: 0.5388048002760875
Energy: 0.6111193587666183
Energy: 0.5745504402812677
Energy: 0.5621626535750885
Energy: 0.5668609250734731
Energy: 0.5722299819215031
Energy: 0.562430184033365
Energy: 0.595050797916357
Energy: 0.5925257631438728
Energy: 0.5962212448997888
Energy: 0.5953755057025139
Energy: 0.5943678286303409
Energy: 0.5962059754494762
Energy: 0.6063459262463861
Energy: 0.5622867507348482
Energy: 0.5615718165987421
Energy: 0.6070880798976174
Energy: 0.5716868075251085
Energy: 0.561281254486003
Energy: 0.6498817273649552
Energy: 0.5973904352228154
Energy: 0.6168295725899788
Energy: 0.6504406828335249
Energy: 0.6411382060679034
Energy: 0.6158247431841943
Energy: 0.5658536585166702
Energy: 0.5680886500576727
Energy: 0.569105022893105
Energy: 0.5488716097219845
Energy: 0.5752273568741537
Energy: 0.5864286475639608

minimum gb energy = 0.5354362385304097 eV
minimum distance =  2.52433907276069 Angstroms
sigma value = 19


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

Energy: 0.8797130096044089
Energy: 0.6087504667670568
Energy: 0.6345713676156565
Energy: 0.6934946193175396
Energy: 0.6197227888332266
Energy: 0.669275705919509
Energy: 0.6099358768753707
Energy: 0.5885226737230012
Energy: 0.572204864977519
Energy: 0.6026968544567207
Energy: 0.5885024020852629
Energy: 0.5722727841975377
Energy: 0.5990627525614908
Energy: 0.61788436697415
Energy: 0.6197687054191792
Energy: 0.598895792077546
Energy: 0.6175029866041137
Energy: 0.5904176672050453
Energy: 0.5864903478218191
Energy: 0.5728010493356526
Energy: 0.5729139556025363
Energy: 0.5895479150175135
Energy: 0.5723589090367885
Energy: 0.5725657959914446
Energy: 0.5932648556514828
Energy: 0.5985255821834591
Energy: 0.610063689706554
Energy: 0.5946049356557273
Energy: 0.5986366669731373
Energy: 0.6170360640470478
Energy: 0.5877988192073673
Energy: 0.5722621189022864
Energy: 0.5736220714975618
Energy: 0.5863001894573612
Energy: 0.5822262680417699
Energy: 0.5736806567292903
Energy: 0.5999956491839402
Energy: 0.5986839034248621
Energy: 0.598774560051494
Energy: 0.6021750911888564
Energy: 0.6293422613040321
Energy: 0.5679446674148112
Energy: 0.5950661717324444
Energy: 0.567651395475574
Energy: 0.5724076924906389
Energy: 0.5959204869983641
Energy: 0.5771595342027221
Energy: 0.5722764843124596
Energy: 0.5849940353070658
Energy: 0.6273901489891929
Energy: 0.5713147352000778
Energy: 0.5851082608769107
Energy: 0.617558002644817
Energy: 0.5770654524438843
Energy: 0.5903661405979634
Energy: 0.5680924015536312
Energy: 0.5687896341361197
Energy: 0.5964259396361227
Energy: 0.5775676109963946
Energy: 0.5682847434889705
Energy: 0.5899307260316875
Energy: 0.6353248063392442
Energy: 0.6362630204835567
Energy: 0.5899266231285835
Energy: 0.6378117997707755
Energy: 0.5807768260405197
Energy: 0.5989196190013342
Energy: 0.5681405824616339
Energy: 0.5684231515087192
Energy: 0.5996669801910693
Energy: 0.5835865909139472
Energy: 0.5679537763802642
Energy: 0.6994703705985819
Energy: 0.5773576933822139
Energy: 0.5680908145279832
Energy: 0.6335483390829111
Energy: 0.5774209290456092
Energy: 0.5675145515065803
Energy: 0.5766041342115321
Energy: 0.5771462212728635
Energy: 0.5774626308838228
Energy: 0.5700824349753092
Energy: 0.5928623491070802
Energy: 0.5678623838741768
Energy: 0.6074978176424015
Energy: 0.5720251775953551
Energy: 0.573428888291604
Energy: 0.6083023036580257
Energy: 0.57754728198633
Energy: 0.5722517669168132
Energy: 0.581770815885342
Energy: 0.59008192030661
Energy: 0.5638697638753188
Energy: 0.5827206236013898
Energy: 0.5719093075079055
Energy: 0.5635481695044966
Energy: 0.6294796368628144
Energy: 0.5866518537649169
Energy: 0.565937144213315
Energy: 0.6349570402334548
Energy: 0.586590325182233
Energy: 0.5659682208448705
Energy: 0.5863419382784897
Energy: 0.5695964184402293
Energy: 0.5682281132479402
Energy: 0.5829455113775571
Energy: 0.581993978256019
Energy: 0.5636496310920477
Energy: 0.5817174888736751
Energy: 0.5995078262230993
Energy: 0.5709136609116527
Energy: 0.5817142393360998
Energy: 0.6336879725124049
Energy: 0.5678597967089738
Energy: 0.5888377978392987
Energy: 0.567461726946726
Energy: 0.5677003111802698
Energy: 0.586822169578515
Energy: 0.5971601102700612
Energy: 0.5678582454180214
Energy: 0.5778324105565026
Energy: 0.5691345764598192
Energy: 0.5632813381886885
Energy: 0.5788422317077868
Energy: 0.5817354623931588
Energy: 0.5847666142976673
Energy: 0.5769923877179122
Energy: 0.57342288671591
Energy: 0.576620985840641
Energy: 0.5771509434625073
Energy: 0.5973679003793442
Energy: 0.5763923608498633
Energy: 0.5924593095433978
Energy: 0.5636068943158429
Energy: 0.5626039066772393
Energy: 0.5924247056804117
Energy: 0.6187807528338817
Energy: 0.5691927962097014
Energy: 0.5773162202793946
Energy: 0.5766413173219026
Energy: 0.5626817906473622
Energy: 0.5773832131432778
Energy: 0.6067970047949021
Energy: 0.5681955965209418
Energy: 0.6023616457140285
Energy: 0.5848794007828776
Energy: 0.5703218558823554
Energy: 0.5976970192009718
Energy: 0.6001042721309852
Energy: 0.5716948304158703
Energy: 0.61051369324477
Energy: 0.5808854097439251
Energy: 0.5726914460147363
Energy: 0.6163095721743068
Energy: 0.5902462017769305
Energy: 0.5729299578471375
Energy: 0.5781742877929407
Energy: 0.598914608965463
Energy: 0.5736216248532086
Energy: 0.5788981656898139
Energy: 0.5850406507802769
Energy: 0.5725935111049307
Energy: 0.6509929785530651
Energy: 0.5922800751622992
Energy: 0.5764435998858889
Energy: 0.6531721317822896
Energy: 0.5909842316351532
Energy: 0.5771077131618412
Energy: 0.6466861920415564
Energy: 0.5883354762215187
Energy: 0.5915251640108176
Energy: 0.6285400454360257
Energy: 0.5949315895215684
Energy: 0.5624084096631665

minimum gb energy = 0.5624084096631665 eV
minimum distance =  2.55417277567088 Angstroms
sigma value = 101


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

Energy: 0.8320076377770943
Energy: 0.6754431075836073
Energy: 0.6716456125044282
Energy: 0.6182324306821577
Energy: 0.684149717848922
Energy: 0.6469928618642762
Energy: 0.5877091253157146
Energy: 0.5781583215333529
Energy: 0.5690449815285289
Energy: 0.5773878781779969
Energy: 0.5861341271380578
Energy: 0.5694303048471264
Energy: 0.6001441138294209
Energy: 0.5857003379642176
Energy: 0.5870730977298725
Energy: 0.6001652069638655
Energy: 0.5889026371989332
Energy: 0.5853222707733478
Energy: 0.5813453872385842
Energy: 0.5780833219142093
Energy: 0.5698653566128773
Energy: 0.5824311761457984
Energy: 0.5773259127238023
Energy: 0.5689753639890059
Energy: 0.5549646664675232
Energy: 0.5980807054962631
Energy: 0.5872980825511115
Energy: 0.5563701190209195
Energy: 0.5990286244280559
Energy: 0.5548825568031973
Energy: 0.5631536437563113
Energy: 0.5705778400124575
Energy: 0.5695805412994662
Energy: 0.5640010694710668
Energy: 0.5785598719324782
Energy: 0.5691846221353039
Energy: 0.5933060978968582
Energy: 0.5928111473093266
Energy: 0.5929385449700701
Energy: 0.5932506793290685
Energy: 0.5931699599155625
Energy: 0.5929061474323019
Energy: 0.5967405168595746
Energy: 0.5685584534390792
Energy: 0.5686069943518003
Energy: 0.5959548279620549
Energy: 0.5756762510447506
Energy: 0.5685745515611316
Energy: 0.5440760264084018
Energy: 0.6092016203254307
Energy: 0.5735150295850857
Energy: 0.5445404050982602
Energy: 0.597916443197472
Energy: 0.585071278764335
Energy: 0.5469630572610183
Energy: 0.5766651448782177
Energy: 0.5692578376977622
Energy: 0.5597708649776842
Energy: 0.5762134616111233
Energy: 0.5692000858750015
Energy: 0.5974710567270561
Energy: 0.6059560246762694
Energy: 0.6063500610851137
Energy: 0.5975157017674467
Energy: 0.6131399010294344
Energy: 0.6037436634457567
Energy: 0.579009361370164
Energy: 0.578061721778803
Energy: 0.570234702095154
Energy: 0.5798571823985076
Energy: 0.5711456425590693
Energy: 0.5700546540194343
Energy: 0.6377576067672655
Energy: 0.5858958006231066
Energy: 0.5734710193313194
Energy: 0.5876047854387221
Energy: 0.5858855955723892
Energy: 0.5734921156913952
Energy: 0.5544716540154389
Energy: 0.5761944356014148
Energy: 0.5754413683802949
Energy: 0.5679483020507106
Energy: 0.5952760642834669
Energy: 0.5696241813137878
Energy: 0.5790069373501053
Energy: 0.5437902318699884
Energy: 0.5577361451478947
Energy: 0.5791899079696347
Energy: 0.5448007943706533
Energy: 0.5821031977721158
Energy: 0.645390096532703
Energy: 0.5723045342730977
Energy: 0.5775504125855929
Energy: 0.5892319897553802
Energy: 0.5443984098211522
Energy: 0.5766207296102316
Energy: 0.7137714003278252
Energy: 0.6059533235741053
Energy: 0.5774158142515978
Energy: 0.6130458600121279
Energy: 0.6059733100264929
Energy: 0.6041979826823312
Energy: 0.5859219709960001
Energy: 0.5869587567550778
Energy: 0.5688713179224445
Energy: 0.5798258931098844
Energy: 0.5817525475797722
Energy: 0.5679514601148666
Energy: 0.5985400702719403
Energy: 0.56514398694125
Energy: 0.5832187314699405
Energy: 0.5982656103869117
Energy: 0.5891761714904437
Energy: 0.5777099015425166
Energy: 0.5810807287388942
Energy: 0.5778556224228887
Energy: 0.5779981606647069
Energy: 0.5817036700435838
Energy: 0.5723250762338589
Energy: 0.5785510730035368
Energy: 0.5566235687416687
Energy: 0.5865642703265115
Energy: 0.5817842492012215
Energy: 0.5577422919573175
Energy: 0.5812103137114977
Energy: 0.6092102096031375
Energy: 0.555028253456028
Energy: 0.578140459885796
Energy: 0.5766066638508986
Energy: 0.5622888896427862
Energy: 0.6462769346872718
Energy: 0.5764677271683543
Energy: 0.5806603302474043
Energy: 0.5887780369093101
Energy: 0.5691121481156756
Energy: 0.5806856825557036
Energy: 0.5751647482622336
Energy: 0.5687316373623282
Energy: 0.5955597467673037
Energy: 0.5688545630755018
Energy: 0.5685990509272983
Energy: 0.5958470124859269
Energy: 0.5724658514725351
Energy: 0.5748358002150612
Energy: 0.5467710587643985
Energy: 0.5921462981282638
Energy: 0.5825093676194992
Energy: 0.5475868788293691
Energy: 0.5966484942165047
Energy: 0.5719422101950848
Energy: 0.5440140573723637
Energy: 0.5801040710780836
Energy: 0.5822555614382979
Energy: 0.544605133002232
Energy: 0.5807273684576683
Energy: 0.5816704342388227
Energy: 0.5954628432843139
Energy: 0.5822438785488993
Energy: 0.5679097388961432
Energy: 0.5956108071467756
Energy: 0.6162098455135746
Energy: 0.5679212790703431
Energy: 0.5868356320407638
Energy: 0.5719037901230828
Energy: 0.5685463971122673
Energy: 0.5790919125272624
Energy: 0.5601722935396672
Energy: 0.5749109300029178
Energy: 0.5798789523918676
Energy: 0.5791330311211055
Energy: 0.579949462853986
Energy: 0.5884570831604191
Energy: 0.586322469742088
Energy: 0.5693051209977007
Energy: 0.5795940484120211
Energy: 0.5777481665291138
Energy: 0.5794626461579178
Energy: 0.5880504197212258
Energy: 0.595694397420729
Energy: 0.5745127204570561
Energy: 0.5808663351415996
Energy: 0.5444180492777845
Energy: 0.5741240055621973
Energy: 0.5814401961727972
Energy: 0.5455305979842707
Energy: 0.583131744844656
Energy: 0.6437693727382061
Energy: 0.5586533397554552
Energy: 0.5719559174101404
Energy: 0.6443242246439642
Energy: 0.5455308393638476
Energy: 0.5819982416245761
Energy: 0.5981181622016543
Energy: 0.5857056335075453
Energy: 0.5772450060853588
Energy: 0.6148543213486941
Energy: 0.5937542911338858
Energy: 0.5680735534605057

minimum gb energy = 0.5437902318699884 eV
minimum distance =  2.55507400896696 Angstroms
sigma value = 33


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

Energy: 0.011658051973682845
Energy: 0.014350681288060147
Energy: 0.0123137743208373
Energy: 0.013087218469618347
Energy: 0.472659025723325
Energy: 0.01220577706419689
Energy: 0.012269975043667565
Energy: 0.05943176922688286
Energy: 0.05813712831106786
Energy: 0.29184816363107235
Energy: 0.058864896790042955
Energy: 0.05791215195388909
Energy: 0.7062377586453027
Energy: 0.4746442036156883
Energy: 0.47298659047850583
Energy: 0.7071304619934504
Energy: 0.47267518083265425
Energy: 0.4728319165793002
Energy: 0.012269975044374272
Energy: 0.05943176922654913
Energy: 0.058137128310714506
Energy: 0.291848163630719
Energy: 0.05886489679037668
Energy: 0.057912151953555355

minimum gb energy = 0.011658051973682845 eV
minimum distance =  2.82739128720506 Angstroms
sigma value = 1