Model name: model_name=EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Au__MO_559016907324_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080000028014183
cohesive_energy=3.930309114102043
mass=196.9665
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=[1.026195736253634e-19, 1.69744205665764e-19, 2.27219088057246e-19, 2.7720379468477797e-19, 3.2136458924771994e-19, 3.60717251732028e-19, 3.95963535503394e-19, 4.2761773926133197e-19, 4.56077202811074e-19, 4.8165435059625e-19, 5.04602326525032e-19, 5.25142230972912e-19, 5.434262707201199e-19, 5.5963228737303e-19, 5.7388364853246e-19, 5.862957109160579e-19, 5.969710138283999e-19, 6.06000881337624e-19, 6.1346542227543e-19, 6.1943833676698195e-19, 6.2398691623090795e-19, 6.27168839026032e-19, 6.29041783511178e-19, 6.29655417162e-19, 6.2899051385889e-19, 6.26824371049722e-19, 6.22871801293644e-19, 6.167819279078099e-19, 6.08139787144014e-19, 5.96440693362546e-19, 5.8106941073595e-19, 5.61277722776148e-19, 5.36141173565322e-19, 5.04520615516698e-19, 4.64996520132552e-19, 4.1578886917250993e-19, 3.54648206642436e-19, 2.786986254843e-19, 1.8424230202682999e-19, 6.645508242505199e-20, -8.10177465044682e-20, -2.66669483316228e-19, -5.02030833027462e-19, -8.030029180776299e-19, -1.1919697482203458e-18, -1.70115910644852e-18, -2.3781588431452197e-18, -3.29546905317558e-18, -4.56761332233792e-18, -6.381533620287359e-18, -9.064971199274938e-18, -1.3284671865539758e-17, -2.0503855473614997e-17, -3.4453206337536e-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: 0.011900618561972042
Energy: 0.012131397082287434
Energy: 0.012302835533457037
Energy: 0.012034755274230566
Energy: 0.30909817036338455
Energy: 0.012333590871623864
Energy: 0.012131397082287434
Energy: 0.06815661799687447
Energy: 0.06807409098740766
Energy: 0.06805480306713145
Energy: 0.06817524527731104
Energy: 0.06810052630185721
Energy: 0.012302835532499602
Energy: 0.06807409098885749
Energy: 0.06811157878301148
Energy: 0.012657456682667587
Energy: 0.06812028864648298
Energy: 0.06931969820413969
Energy: 0.012034755273519328
Energy: 0.0680548030664202
Energy: 0.012657456683159981
Energy: 0.012130510170730125
Energy: 0.06812318062663696
Energy: 0.012312924076192508
Energy: 0.30909817035662784
Energy: 0.06817524527709219
Energy: 0.06812028865034007
Energy: 0.06812318062688315
Energy: 0.06814204386442055
Energy: 0.06810258654837945
Energy: 0.012333590872088906
Energy: 0.06810052630306085
Energy: 0.06931969820435854
Energy: 0.012312924076192508
Energy: 0.06810258654813325
Energy: 0.012552650872599613

minimum gb energy = 0.011900618561972042 eV
minimum distance =  2.87744390742519 Angstroms
sigma value = 1


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

Energy: 0.841889896401402
Energy: 0.5313319885235885
Energy: 0.57041237837277
Energy: 0.5098729949803757
Energy: 0.7843949250709813
Energy: 0.5693506426555073
Energy: 0.7966350989267499
Energy: 0.508472961081372
Energy: 0.5079180792526918
Energy: 0.4851269588176086
Energy: 0.5077560602048823
Energy: 0.5065787144206134
Energy: 0.7568862105522455
Energy: 0.517888212124071
Energy: 0.506179591097005
Energy: 0.5170774990716726
Energy: 0.5046471200375054
Energy: 0.504866622626295
Energy: 0.8473873548962664
Energy: 0.5138625628262471
Energy: 0.5039040428352692
Energy: 0.5113869938703166
Energy: 0.5142253784839765
Energy: 0.5058488362476232
Energy: 0.7612199007913708
Energy: 0.5083359389700569
Energy: 0.5061035991004712
Energy: 0.49890827813432764
Energy: 0.5082036656895699
Energy: 0.5048927934348402
Energy: 0.7571554095834474
Energy: 0.5115219239812273
Energy: 0.5126613233997364
Energy: 0.5124215179940086
Energy: 0.5067444719356855
Energy: 0.517761751975116
Energy: 0.7583748160359999
Energy: 0.5136717002462741
Energy: 0.5123285308022588
Energy: 0.5163871450383816
Energy: 0.5124884602979164
Energy: 0.5116927837087528
Energy: 0.7317266528781236
Energy: 0.5160616055136419
Energy: 0.5165120547417185
Energy: 0.4888382543208023
Energy: 0.5163603392130454
Energy: 0.5120296530747395
Energy: 0.6146215427771456
Energy: 0.5188381171907024
Energy: 0.5170463551138119
Energy: 0.5075324978971024
Energy: 0.5120354470172054
Energy: 0.5163730126867262
Energy: 0.6115746847129847
Energy: 0.5065723141652201
Energy: 0.5061979418964327
Energy: 0.5092492591133838
Energy: 0.5076253548829669
Energy: 0.5069922964317568
Energy: 0.615717398357484
Energy: 0.5029688409082672
Energy: 0.5020424506365598
Energy: 0.5525775525171499
Energy: 0.5027405657350428
Energy: 0.5062323541278062
Energy: 0.5642477279715448
Energy: 0.5043156970015351
Energy: 0.5093028596922102
Energy: 0.5050109935492281
Energy: 0.5156385784349791
Energy: 0.5055087355510735
Energy: 0.5602396197997929
Energy: 0.5002053705296556
Energy: 0.5065522950517718
Energy: 0.505425688238882
Energy: 0.5041552158380631
Energy: 0.5082075216518258
Energy: 0.6026596748904985
Energy: 0.5077510882447548
Energy: 0.5081171288999595
Energy: 0.5258083988734841
Energy: 0.5116064780775222
Energy: 0.5133032775442821
Energy: 0.5777893547611759
Energy: 0.5045003134783035
Energy: 0.5052344872315946
Energy: 0.5129541473459284
Energy: 0.4991829257738219
Energy: 0.5059140261661207
Energy: 0.5793681655818219
Energy: 0.5174148606758626
Energy: 0.5182171211776503
Energy: 0.5047773873289711
Energy: 0.5174723607728643
Energy: 0.5121805447736923
Energy: 0.6987952857423575
Energy: 0.5104548675686815
Energy: 0.5107825784051224
Energy: 0.5083471220544612
Energy: 0.5158162296121805
Energy: 0.5104834449976404
Energy: 0.6778688068174463
Energy: 0.5172180307019943
Energy: 0.5181339055184386
Energy: 0.517900849912843
Energy: 0.4766189208033348
Energy: 0.5178807768835908
Energy: 0.6808099387856185
Energy: 0.5196014724177324
Energy: 0.5171337297237869
Energy: 0.5130156995696065
Energy: 0.5182187434454228
Energy: 0.5168579705609211
Energy: 0.7558538088880766
Energy: 0.5195935510461838
Energy: 0.5175466498091292
Energy: 0.512922272091112
Energy: 0.518121926838224
Energy: 0.5172033822741217
Energy: 0.7946302970636723
Energy: 0.5047846839875829
Energy: 0.5014136147067364
Energy: 0.5037317910171213
Energy: 0.5048784203604962
Energy: 0.5015350805495709
Energy: 0.7858273888701922
Energy: 0.5179158272996729
Energy: 0.5128743605037986
Energy: 0.5147739622665594
Energy: 0.518536312077844
Energy: 0.5199627579399456
Energy: 0.7922121500747688
Energy: 0.5075481224705464
Energy: 0.5079166185552968
Energy: 0.4945140221795124
Energy: 0.5086569750636741
Energy: 0.507250386799219

minimum gb energy = 0.4766189208033348 eV
minimum distance =  2.6764612085428 Angstroms
sigma value = 33


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

Energy: 0.9638223181114455
Energy: 0.5848852102954263
Energy: 0.5607154772250703
Energy: 0.563853904751781
Energy: 0.5420413522304071
Energy: 0.5800071031294081
Energy: 0.6719899551400568
Energy: 0.5258867139236576
Energy: 0.5328060299864972
Energy: 0.5311220976771215
Energy: 0.555998222558165
Energy: 0.5349536209491519
Energy: 0.7215713897588841
Energy: 0.5335764415622184
Energy: 0.5395625777827251
Energy: 0.5510658284940412
Energy: 0.531794780100729
Energy: 0.5774412167631304
Energy: 0.784894389232368
Energy: 0.5890248133391001
Energy: 0.5391740195972123
Energy: 0.5495411054451566
Energy: 0.5577722812266152
Energy: 0.5520537560679695
Energy: 0.729936635804842
Energy: 0.5365422988846352
Energy: 0.5410706663366501
Energy: 0.5404147850910052
Energy: 0.5277264566278423
Energy: 0.5787257856285507
Energy: 0.7956043456509921
Energy: 0.5808021423949615
Energy: 0.5334445798070593
Energy: 0.5353795249106326
Energy: 0.5953037257643363
Energy: 0.5821395180870164
Energy: 0.794745009508834
Energy: 0.571497938239288
Energy: 0.5825703843827399
Energy: 0.581394774504774
Energy: 0.5729473513531091
Energy: 0.5828713247779121
Energy: 0.7303700288970811
Energy: 0.5548244203687003
Energy: 0.5573920448498254
Energy: 0.5436104710254666
Energy: 0.5548692285449952
Energy: 0.5560159501989305
Energy: 0.6422267267727177
Energy: 0.5546670192032037
Energy: 0.5776870553068696
Energy: 0.5898409131321772
Energy: 0.5526376999140438
Energy: 0.5762882103088303
Energy: 0.6384416181525581
Energy: 0.5770800993276254
Energy: 0.5747067665408229
Energy: 0.5837437637969926
Energy: 0.5733186561749494
Energy: 0.5747275542695873
Energy: 0.6488295535453812
Energy: 0.5294668687977762
Energy: 0.5290776105425352
Energy: 0.5559467703385657
Energy: 0.5296991795732566
Energy: 0.5290783277874836
Energy: 0.6004695925714876
Energy: 0.5336745715753453
Energy: 0.5765699537745774
Energy: 0.5834252347718125
Energy: 0.5336296000729185
Energy: 0.5762846595485316
Energy: 0.5990369938370521
Energy: 0.5727178338885764
Energy: 0.571395710470608
Energy: 0.5952016780485635
Energy: 0.5735479922849999
Energy: 0.5708183011592042
Energy: 0.6790806133462948
Energy: 0.5570073322679597
Energy: 0.551932082628089
Energy: 0.5774491513244261
Energy: 0.5572317438886399
Energy: 0.5521258882497828
Energy: 0.6390396647432521
Energy: 0.5742347818804335
Energy: 0.5737995331918071
Energy: 0.5901971553047809
Energy: 0.5749271472865746
Energy: 0.5773898333725346
Energy: 0.6412943674135219
Energy: 0.5814692280616776
Energy: 0.5810351948734739
Energy: 0.5962914991902382
Energy: 0.5806228332112895
Energy: 0.5806925449183632
Energy: 0.747099524751178
Energy: 0.5816381650479147
Energy: 0.5819171114667763
Energy: 0.5744377755768623
Energy: 0.581464565910416
Energy: 0.58006334657347
Energy: 0.6761935871311291
Energy: 0.5624238666597168
Energy: 0.5662440782060845
Energy: 0.5545548305304069
Energy: 0.5620219116957473
Energy: 0.555534733876577
Energy: 0.6711816334670935
Energy: 0.5772550867376748
Energy: 0.5767186111738752
Energy: 0.5545388383757205
Energy: 0.5863285148306713
Energy: 0.577904224439113
Energy: 0.7468813315200726
Energy: 0.5785101031457368
Energy: 0.5748661019160163
Energy: 0.5736266267168195
Energy: 0.5741220419569971
Energy: 0.5743161699488175
Energy: 0.866094603945538
Energy: 0.573213278747662
Energy: 0.5293064544353053
Energy: 0.5338554772047057
Energy: 0.5824670212259304
Energy: 0.5275840886866511
Energy: 0.645959022785765
Energy: 0.5661525284409412
Energy: 0.5682275998650173
Energy: 0.5335384377737558
Energy: 0.5929356859576947
Energy: 0.5653892206480218
Energy: 0.7543769151125213
Energy: 0.5737975973118871
Energy: 0.5740363589103872
Energy: 0.5752245229861307
Energy: 0.5782246083966242
Energy: 0.5771492423800508
Energy: 0.7857514344081022
Energy: 0.6051253042879693
Energy: 0.5872673317455057
Energy: 0.54970620440752
Energy: 0.5970618737778943
Energy: 0.5672930488007246
Energy: 0.7385119618845299
Energy: 0.5755551038861685
Energy: 0.5777069021121217
Energy: 0.575652992960627
Energy: 0.5761742551383051
Energy: 0.5779416707307607
Energy: 0.7317725279973685
Energy: 0.5757160801352748
Energy: 0.5796131855991553
Energy: 0.5770697403023182
Energy: 0.5969670009931296
Energy: 0.5798756075282475
Energy: 0.794886303255599
Energy: 0.5701922025664583
Energy: 0.569742219779135
Energy: 0.5774049027961885
Energy: 0.5672436227854967
Energy: 0.5679067828772038
Energy: 0.7324500293979099
Energy: 0.5542165417679453
Energy: 0.5555605692430707
Energy: 0.5640548784259676
Energy: 0.5543082066370797
Energy: 0.5633980134418107
Energy: 0.6392633688317668
Energy: 0.5543107738071531
Energy: 0.5559784709412178
Energy: 0.5852381298848714
Energy: 0.5544596804617288
Energy: 0.5730734456109797
Energy: 0.6443332386579945
Energy: 0.5766062841189219
Energy: 0.5743802948072301
Energy: 0.5724408537677395
Energy: 0.5724467196590982
Energy: 0.5739932349870079
Energy: 0.7042995533145877
Energy: 0.5339376420571161
Energy: 0.5240776680098035
Energy: 0.5861474808170186
Energy: 0.5338136135648013
Energy: 0.5210973655618654
Energy: 0.6001345011725637
Energy: 0.5334349791673704
Energy: 0.533661882881597
Energy: 0.5884425018639212
Energy: 0.5334160269954744
Energy: 0.5752060491319898
Energy: 0.6003042966333196
Energy: 0.5737680556455529
Energy: 0.5750427165335626
Energy: 0.6004166186571952
Energy: 0.5740843012001484
Energy: 0.5736591754839859
Energy: 0.6006191866482284
Energy: 0.5526525920962895
Energy: 0.5524143603662107
Energy: 0.5892596127151652
Energy: 0.5575508310497165
Energy: 0.5421585885277868
Energy: 0.6386419081397511
Energy: 0.5755547017231206
Energy: 0.5798638794676781
Energy: 0.5862743422171964
Energy: 0.5766904314233338
Energy: 0.5789364260158866
Energy: 0.638941066077624
Energy: 0.5788508294422623
Energy: 0.5790989285137277
Energy: 0.5975000323973593
Energy: 0.5752944881019145
Energy: 0.5784165738022984
Energy: 0.6382717266875996
Energy: 0.544116800477328
Energy: 0.5371850875948954
Energy: 0.5353326794592845
Energy: 0.5420222202670895
Energy: 0.5420506878981012
Energy: 0.6713615285935572
Energy: 0.5779242431303284
Energy: 0.545060661335078
Energy: 0.5539474983142318
Energy: 0.540945995991946
Energy: 0.5827777523280189
Energy: 0.675320664527655
Energy: 0.5424314161328392
Energy: 0.5451836515098173
Energy: 0.5546033644705968
Energy: 0.5323563407839715
Energy: 0.5559620034847321
Energy: 0.7297691654884856
Energy: 0.5350977190590372
Energy: 0.5355636213936024
Energy: 0.5345677160178558
Energy: 0.5433266156687803
Energy: 0.5341961636547206
Energy: 0.8986696930361906
Energy: 0.5365324722877831
Energy: 0.5211939677020005
Energy: 0.533842140681325
Energy: 0.5155922509979785
Energy: 0.5480054018541161

minimum gb energy = 0.5155922509979785 eV
minimum distance =  2.57188733986442 Angstroms
sigma value = 51


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

Energy: 0.8704172011750777
Energy: 0.5461271766042379
Energy: 0.5444172595651844
Energy: 0.5367750787009511
Energy: 0.5611707540767971
Energy: 0.5949312491130139
Energy: 0.7006965253489931
Energy: 0.5343050562475712
Energy: 0.5114290444107711
Energy: 0.5154296826072923
Energy: 0.5460478175078955
Energy: 0.5144104761944669
Energy: 0.7815033920696042
Energy: 0.5319831907560691
Energy: 0.5314617853346539
Energy: 0.5342092000768256
Energy: 0.5694350305021741
Energy: 0.5317717528787484
Energy: 0.7787942194026091
Energy: 0.5231402107910619
Energy: 0.5216442348496236
Energy: 0.5228661716533288
Energy: 0.5462973407839533
Energy: 0.5244551505461447
Energy: 0.6606968257838532
Energy: 0.5232150325754757
Energy: 0.5170205883596419
Energy: 0.5153763511848232
Energy: 0.5319648158674062
Energy: 0.5179417300253676
Energy: 0.6598283729498903
Energy: 0.5215516137558974
Energy: 0.5208899636514623
Energy: 0.5134248601610977
Energy: 0.5141548112574604
Energy: 0.5210182663915424
Energy: 0.6596534879266543
Energy: 0.5228537804641135
Energy: 0.5209202292919751
Energy: 0.5128552805713397
Energy: 0.5219709785576266
Energy: 0.5208440229254043
Energy: 0.6608082733262182
Energy: 0.500754288111283
Energy: 0.5008366948805436
Energy: 0.547615490996643
Energy: 0.5012150327910391
Energy: 0.5017544154535535
Energy: 0.5747055881613888
Energy: 0.4948654445778356
Energy: 0.5144819696750437
Energy: 0.560317093061596
Energy: 0.5124159294661121
Energy: 0.5317446304980004
Energy: 0.5750491530352347
Energy: 0.5162024495360191
Energy: 0.5156879102401735
Energy: 0.5699268883765283
Energy: 0.5165324989446849
Energy: 0.533146638316265
Energy: 0.5790955605703694
Energy: 0.5200136257357738
Energy: 0.5485521489536325
Energy: 0.5767089249469458
Energy: 0.5320195069117402
Energy: 0.5329124815390465
Energy: 0.5971830202772275
Energy: 0.5157232046532231
Energy: 0.5149621710895689
Energy: 0.5308922901270906
Energy: 0.5129691408791273
Energy: 0.5145473897206909
Energy: 0.5968623327168134
Energy: 0.5406425393501268
Energy: 0.5415394915721681
Energy: 0.5717615039061728
Energy: 0.5319981958421897
Energy: 0.5476384331520061
Energy: 0.5971314041784543
Energy: 0.5245444004960333
Energy: 0.5391830108164395
Energy: 0.5370570215516013
Energy: 0.5243657380301818
Energy: 0.5392484677477699
Energy: 0.7002463177364274
Energy: 0.5415958037291891
Energy: 0.5417661105156986
Energy: 0.5433872866024545
Energy: 0.5411089037430097
Energy: 0.5219020045030082
Energy: 0.7043671927303018
Energy: 0.5309808776580973
Energy: 0.5333007130851164
Energy: 0.5437442427332757
Energy: 0.5578281270256727
Energy: 0.5435404779210897
Energy: 0.7151921631901629
Energy: 0.5319883732243544
Energy: 0.5319680606716718
Energy: 0.5155164276234708
Energy: 0.5458170083954978
Energy: 0.5320260852592078
Energy: 0.8512756891054705
Energy: 0.513461274930493
Energy: 0.49450560132996746
Energy: 0.49997288133913875
Energy: 0.5144079857733115
Energy: 0.49474809539010417

minimum gb energy = 0.49450560132996746 eV
minimum distance =  2.6679252158443 Angstroms
sigma value = 19


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

Energy: 0.7225004378937372
Energy: 0.5541241808727767
Energy: 0.5884998493206447
Energy: 0.5889731952514528
Energy: 0.5419417723718561
Energy: 0.5900329813323041
Energy: 0.7262320094741195
Energy: 0.5400599978550831
Energy: 0.540034455991563
Energy: 0.557364633107496
Energy: 0.5400049809420588
Energy: 0.5404767740996161
Energy: 0.628780487870681
Energy: 0.5398113992099162
Energy: 0.5398828963656783
Energy: 0.5567830993289785
Energy: 0.5397197986039115
Energy: 0.5403244969102892
Energy: 0.627625455334267
Energy: 0.5399895956220182
Energy: 0.539946051552117
Energy: 0.5610470655054469
Energy: 0.5400217283258477
Energy: 0.5407169619063393
Energy: 0.6295261656304783
Energy: 0.5403544029063018
Energy: 0.5570730422282081
Energy: 0.5311887037092391
Energy: 0.5403168606270474
Energy: 0.5567290742420249
Energy: 0.631959904610881
Energy: 0.5265514973363696
Energy: 0.5566225362442699
Energy: 0.5576855661622171
Energy: 0.5264477888405719
Energy: 0.5574810646531145
Energy: 0.6300066382891468
Energy: 0.531706907742392
Energy: 0.5566585569080978
Energy: 0.5576630264614656
Energy: 0.5312866770618181
Energy: 0.5573359046500524
Energy: 0.6045515746970604
Energy: 0.5267339858194351
Energy: 0.5273950727423751
Energy: 0.5408682541777069
Energy: 0.5266355623825316
Energy: 0.5271897310259548
Energy: 0.5399329448253363
Energy: 0.5270050056331154
Energy: 0.5272306028904014
Energy: 0.5399475764030158
Energy: 0.5282270385358161
Energy: 0.5270470962921797
Energy: 0.5404173751744209
Energy: 0.5321952088256505
Energy: 0.5406369414225607
Energy: 0.5406748622243194
Energy: 0.531486882944001
Energy: 0.5399760932121888
Energy: 0.5398475697671223
Energy: 0.5656794480635522
Energy: 0.5661741108231183
Energy: 0.5398899246262421
Energy: 0.5669180409079574
Energy: 0.5408247677747092
Energy: 0.6298158326977245
Energy: 0.5319785986177658
Energy: 0.5572943799111025
Energy: 0.5399260518986617
Energy: 0.5578705414688724
Energy: 0.5405635946575159
Energy: 0.5265086253228415
Energy: 0.5571446760149333
Energy: 0.5573887133346098
Energy: 0.527953829044364
Energy: 0.5573547779437347
Energy: 0.5574814627038523
Energy: 0.6299182494464491
Energy: 0.5575218613553105
Energy: 0.557265677232001
Energy: 0.5406023602102363
Energy: 0.5578681997472474
Energy: 0.5570641119765162
Energy: 0.72555604036742
Energy: 0.5400147479863493
Energy: 0.54072261688247
Energy: 0.5274620341138744
Energy: 0.5401413472896672
Energy: 0.5267354325615704
Energy: 0.7271122789534143
Energy: 0.5692523815165548
Energy: 0.5275554472643706
Energy: 0.527590822239668
Energy: 0.5417295601790174
Energy: 0.528342683340034
Energy: 0.6294867961676435
Energy: 0.5399166490832239
Energy: 0.5400475509095272
Energy: 0.5314281773519718
Energy: 0.5403970210120076
Energy: 0.5401846758705732
Energy: 0.6251428567687953
Energy: 0.5399210421401602
Energy: 0.5398994699041374
Energy: 0.560423742525372
Energy: 0.5399200879456805
Energy: 0.5400178909407624
Energy: 0.625130147143453
Energy: 0.5398756462400833
Energy: 0.5399367683978844
Energy: 0.5601798678580951
Energy: 0.5399071874140268
Energy: 0.5405164613076014
Energy: 0.6296701010671697
Energy: 0.5265199886830887
Energy: 0.5573098628982533
Energy: 0.5580658329544964
Energy: 0.5264079847854598
Energy: 0.5559982896181389
Energy: 0.6273495552456329
Energy: 0.5732218334406022
Energy: 0.5574655584998166
Energy: 0.5582844852978068
Energy: 0.5403566693429915
Energy: 0.5571958707941835
Energy: 0.6295344450396265
Energy: 0.5318958558578768
Energy: 0.5583686798885219
Energy: 0.5401613951901881
Energy: 0.5314038453054942
Energy: 0.55685191150266
Energy: 0.6044587329105566
Energy: 0.5886427057161772
Energy: 0.5884816698537725
Energy: 0.556712909605966
Energy: 0.588686521449947
Energy: 0.5883479229505166
Energy: 0.5400084680196359
Energy: 0.556921458650372
Energy: 0.556543492433887
Energy: 0.5400520343758346
Energy: 0.5504165633188141
Energy: 0.5403354831344976
Energy: 0.5399168272138359
Energy: 0.5327953934210812
Energy: 0.541106239984319
Energy: 0.5399029648192253
Energy: 0.5567527844250483
Energy: 0.5400777260984295
Energy: 0.60504735264617
Energy: 0.563015088866984
Energy: 0.561895708092815
Energy: 0.5403849809211407
Energy: 0.5615432662375538
Energy: 0.540179999863298
Energy: 0.6297497983225624
Energy: 0.5584691972370023
Energy: 0.5574682113094724
Energy: 0.5408227459579961
Energy: 0.5313250703671175
Energy: 0.5573310343694644
Energy: 0.5263764323343119
Energy: 0.5573662895659471
Energy: 0.5574912434837969
Energy: 0.5263857121664599
Energy: 0.5575825145886274
Energy: 0.5558674920262525
Energy: 0.6040196740113206
Energy: 0.5571483006389747
Energy: 0.5575992140406957
Energy: 0.5318623746166564
Energy: 0.5574607516939994
Energy: 0.5565409108165447
Energy: 0.7294128356813984
Energy: 0.5569548470663512
Energy: 0.5275153252974124
Energy: 0.5269215860847184
Energy: 0.5406085179947524
Energy: 0.5293232527584623

minimum gb energy = 0.5263764323343119 eV
minimum distance =  2.67516427535046 Angstroms
sigma value = 27


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

Energy: 0.6255376043558128
Energy: 0.4990413111727772
Energy: 0.49261319413639304
Energy: 0.5173225375697259
Energy: 0.5340989532013058
Energy: 0.5982335942378675
Energy: 0.5646872426898984
Energy: 0.4914111190346067
Energy: 0.45383682788342045
Energy: 0.4849426991308329
Energy: 0.5334450079937431
Energy: 0.45429331957022756
Energy: 0.5703721988633375
Energy: 0.4917219364916196
Energy: 0.4926073486908734
Energy: 0.45421685218728747
Energy: 0.5341403608800608
Energy: 0.4547153009867348
Energy: 0.5103241165937588
Energy: 0.45441034693384375
Energy: 0.453529633293753
Energy: 0.4552095419101972
Energy: 0.4548380294373039
Energy: 0.4534971580662604
Energy: 0.6207794489120504
Energy: 0.4732345293520602
Energy: 0.45494927330311014
Energy: 0.4968867272122198
Energy: 0.46580935036812227
Energy: 0.4547499985966494
Energy: 0.5329875739045549
Energy: 0.5004297395124129
Energy: 0.4683026879018607
Energy: 0.5330109003328073
Energy: 0.5010653427048793
Energy: 0.46763004676549064
Energy: 0.5337548600279144
Energy: 0.4833955988803936
Energy: 0.45451009827828254
Energy: 0.5339879260191966
Energy: 0.48390781342143463
Energy: 0.49238916504356484
Energy: 0.5334467477294276
Energy: 0.4821477899578073
Energy: 0.48260965019585533
Energy: 0.5335035167430983
Energy: 0.4816412226588875
Energy: 0.4537298055551951
Energy: 0.5697110918847793
Energy: 0.453570906798524
Energy: 0.4838293770125931
Energy: 0.533700978266251
Energy: 0.4540690150098796
Energy: 0.45424187000316124
Energy: 0.5721462988147794
Energy: 0.48467581757180883
Energy: 0.4535314070819924
Energy: 0.49279557957790326
Energy: 0.4860791136797702
Energy: 0.45345265005880026
Energy: 0.5705798873004395
Energy: 0.524134178983738
Energy: 0.5263536635930314
Energy: 0.49175180471654956
Energy: 0.5232083636717924
Energy: 0.4859860099773204
Energy: 0.5699495881645331
Energy: 0.49132803340033815
Energy: 0.45542286298091494
Energy: 0.48479966016557885
Energy: 0.491781738217699
Energy: 0.45409708441710916

minimum gb energy = 0.45345265005880026 eV
minimum distance =  2.7150939302196 Angstroms
sigma value = 9


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

Energy: 0.9861938748273319
Energy: 0.43905447644777135
Energy: 0.4470560292873593
Energy: 0.4442133376089393
Energy: 0.4410143172634131
Energy: 0.4438573922299909
Energy: 0.453739543594205
Energy: 0.41927976833135583
Energy: 0.44931916002409245
Energy: 0.43711009059144457
Energy: 0.4609513578538223
Energy: 0.4376267880025043
Energy: 0.4871758226079284
Energy: 0.43709555044345944
Energy: 0.4367434408887837
Energy: 0.44730820474357186
Energy: 0.46199721432162877
Energy: 0.44005726321084054
Energy: 0.4898386709434377
Energy: 0.41734043723036474
Energy: 0.41714012677133644
Energy: 0.44733429319601503
Energy: 0.42075923808301713
Energy: 0.41747094277850755
Energy: 0.5087369891666268
Energy: 0.41435943496241945
Energy: 0.4184721375879924
Energy: 0.45234501262903176
Energy: 0.42909181427981163
Energy: 0.43754237867037377
Energy: 0.4573135365258469
Energy: 0.4212927092525922
Energy: 0.44543412108695857
Energy: 0.4572221928341
Energy: 0.4473036731780029
Energy: 0.43953027728449057
Energy: 0.458026155238049
Energy: 0.42295025117681
Energy: 0.41723456366992184
Energy: 0.45871773486591216
Energy: 0.41964057478421113
Energy: 0.4361344582122627
Energy: 0.4573691110086169
Energy: 0.45045378837562255
Energy: 0.43515750576378504
Energy: 0.45734592320097867
Energy: 0.44860917550448004
Energy: 0.4355534929002691
Energy: 0.5415209167461751
Energy: 0.43440094256814704
Energy: 0.43002405264934734
Energy: 0.4396818702458777
Energy: 0.43655582924934366
Energy: 0.4361248786141072
Energy: 0.4580801713624875
Energy: 0.4177304162006956
Energy: 0.41804061570736745
Energy: 0.4397742402218401
Energy: 0.4191025894683929
Energy: 0.4132800774019388
Energy: 0.4536604551015855
Energy: 0.43693841823512697
Energy: 0.44050148455892796
Energy: 0.4422638075256494
Energy: 0.4575231452221434
Energy: 0.44587944241062577
Energy: 0.5593547800172809
Energy: 0.4353091846761159
Energy: 0.4488967272513144
Energy: 0.4296941532890386
Energy: 0.457654633171206
Energy: 0.4217483074936999
Energy: 0.86173327555033
Energy: 0.44418514305132484
Energy: 0.44898869534146857
Energy: 0.4365528891756353
Energy: 0.4437596831800949
Energy: 0.4358056912601435
Energy: 0.5577372789946895
Energy: 0.44088492746948993
Energy: 0.4383083745449887
Energy: 0.42915884356909073
Energy: 0.43892706347662236
Energy: 0.41871999274214916
Energy: 0.4641444822844226
Energy: 0.44234605854005266
Energy: 0.44257768704289174
Energy: 0.46477155433940587
Energy: 0.44416311331130043
Energy: 0.43893979606399025
Energy: 0.4604938193194537
Energy: 0.4392755175255671
Energy: 0.4486883733585895
Energy: 0.46131954292323724
Energy: 0.44769476181921425
Energy: 0.43832010452312997
Energy: 0.45974046357965076
Energy: 0.41777691813045525
Energy: 0.4169540786505831
Energy: 0.4599861049312245
Energy: 0.42638005776607457
Energy: 0.4444300260533768
Energy: 0.48905509884212073
Energy: 0.4181404748048625
Energy: 0.437725215936177
Energy: 0.4600434711564634
Energy: 0.4451466987615978
Energy: 0.4362851907668828
Energy: 0.48700137287079315
Energy: 0.43617842126940637
Energy: 0.43757862654180263
Energy: 0.4355200430762681
Energy: 0.4350430849228558
Energy: 0.43676879182472617
Energy: 0.4879801347210437
Energy: 0.4346825563837426
Energy: 0.43692364681509593
Energy: 0.4524588850435072
Energy: 0.45219547432286195
Energy: 0.4468883748112406
Energy: 0.4871755452124046
Energy: 0.4361493157575324
Energy: 0.43674123226991896
Energy: 0.4415009812569984
Energy: 0.43761938616041823
Energy: 0.4411156383466841
Energy: 0.5142411424334945
Energy: 0.429080095395882
Energy: 0.4310992504965718
Energy: 0.4298724592180043
Energy: 0.42701520573582935
Energy: 0.44681408985216237
Energy: 0.5121064424117288
Energy: 0.4264566766927332
Energy: 0.45115503246243666
Energy: 0.4299783401310411
Energy: 0.4612910644491528
Energy: 0.4204140740284316
Energy: 0.4873013793063553
Energy: 0.41966344978272907
Energy: 0.43789280843782824
Energy: 0.4491308553652914
Energy: 0.4621614134451726
Energy: 0.4397626471461179
Energy: 0.6283815799297553
Energy: 0.4302704264951867
Energy: 0.43937023345786963
Energy: 0.4534105663765441
Energy: 0.41948635277398016
Energy: 0.44186102714470116
Energy: 0.48731787772294355
Energy: 0.4177307763259085
Energy: 0.4175825195463602
Energy: 0.4544003466590569
Energy: 0.4300334561741591
Energy: 0.43706261979232397
Energy: 0.43581162387566014
Energy: 0.415401011841894
Energy: 0.4152767095380991
Energy: 0.4364859356919567
Energy: 0.4388316325820791
Energy: 0.44901049878602856
Energy: 0.45741199265490284
Energy: 0.41727326505576523
Energy: 0.4174540245671474
Energy: 0.45743267057881
Energy: 0.4265062701945584
Energy: 0.41832185662067706
Energy: 0.45792819702717313
Energy: 0.4184082245825231
Energy: 0.43638389372111064
Energy: 0.457897630501349
Energy: 0.43964991194898856
Energy: 0.4482144638533957
Energy: 0.4689130463709686
Energy: 0.4394490185421103
Energy: 0.4352030528930051
Energy: 0.43942266016450865
Energy: 0.44806210333288143
Energy: 0.4188771071110854
Energy: 0.4536994522979602
Energy: 0.4187061387392931
Energy: 0.435319550613692
Energy: 0.44130099367419906
Energy: 0.4402243184202506
Energy: 0.4484075665554599
Energy: 0.45666510429423224
Energy: 0.4373832392905158
Energy: 0.4355800599380318
Energy: 0.43990050141443054
Energy: 0.4572084469326967
Energy: 0.41305961665197377
Energy: 0.5573930468973604
Energy: 0.4361974366457027
Energy: 0.4561407699881751
Energy: 0.42996343052872715
Energy: 0.45940677239184663
Energy: 0.4174093111094124
Energy: 0.48613186960916516
Energy: 0.435552154811195
Energy: 0.4401037330216809
Energy: 0.4355992706470231
Energy: 0.4569721568250286
Energy: 0.42056324246683996
Energy: 0.4835873958727748
Energy: 0.4251794254188718
Energy: 0.4391490846278489
Energy: 0.43932510041707906
Energy: 0.4373889921313331
Energy: 0.43826544431671755
Energy: 0.48502575163985007
Energy: 0.44280445701129034
Energy: 0.4366382248659005
Energy: 0.4362894608051066
Energy: 0.44440900807908135
Energy: 0.41768492122652284
Energy: 0.4614121679624698
Energy: 0.4409030747429369
Energy: 0.45110780053239813
Energy: 0.4622209195961176
Energy: 0.4461531611136577
Energy: 0.4483071524191707
Energy: 0.45994623274573915
Energy: 0.43732852150399754
Energy: 0.4384801544791203
Energy: 0.46034363418177954
Energy: 0.43689058459856855
Energy: 0.4379501964317969
Energy: 0.5137589508773845
Energy: 0.4294711449013582
Energy: 0.4210464018320185
Energy: 0.5134642780468699
Energy: 0.42910277325750684
Energy: 0.4566070216431152
Energy: 0.48729180959199886
Energy: 0.4377378323166065
Energy: 0.43883489057088454
Energy: 0.4604961498783827
Energy: 0.4372489754384763
Energy: 0.4378749882089363
Energy: 0.4859485438841278
Energy: 0.4431587546889502
Energy: 0.4476247810367592
Energy: 0.4510117643134601
Energy: 0.4368387843541368
Energy: 0.4452469800497906
Energy: 0.4872195673714672
Energy: 0.45345539787083683
Energy: 0.4359118466912568
Energy: 0.4465297881036366
Energy: 0.45297172868924285
Energy: 0.43583177475620855
Energy: 0.5124039464669118
Energy: 0.4180155528423945
Energy: 0.4419370924774779
Energy: 0.4350716881714649
Energy: 0.44473302401984777
Energy: 0.4202426953058274

minimum gb energy = 0.41305961665197377 eV
minimum distance =  2.67820438570028 Angstroms
sigma value = 57


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

Energy: 0.4719728884659297
Energy: 0.4355320943102721
Energy: 0.2276366948877077
Energy: 0.22676946026357062
Energy: 0.33706604011356944
Energy: 0.44462508521811633
Energy: 0.4726497079400623
Energy: 0.35763655348745826
Energy: 0.33356458862579796
Energy: 0.332561032617189
Energy: 0.33430643695961654
Energy: 0.34756529854073653
Energy: 0.4519493230792602
Energy: 0.500475932507823
Energy: 0.3346736417806177
Energy: 0.3455371537549953
Energy: 0.3349264524634273
Energy: 0.38266227882856657
Energy: 0.45355169507744864
Energy: 0.33779732037772053
Energy: 0.4471081472242259
Energy: 0.3347038193311287
Energy: 0.44554087003685794
Energy: 0.453075896361582
Energy: 0.38304982057737885
Energy: 0.30596363943167576
Energy: 0.2965124713702871
Energy: 0.3366427944498139
Energy: 0.30548882068666494
Energy: 0.4488601966064449
Energy: 0.3556955804401431
Energy: 0.3071126689581547
Energy: 0.3087110324667558
Energy: 0.33327879002871874
Energy: 0.307667594468411
Energy: 0.30232934555567365
Energy: 0.37677306698795554
Energy: 0.44527272473775475
Energy: 0.3352312166852784
Energy: 0.4462146822594076
Energy: 0.33306185179774594
Energy: 0.45425586726836775
Energy: 0.37731024100516364
Energy: 0.4495355848262245
Energy: 0.5032975212374557
Energy: 0.551777514996115
Energy: 0.5003918334359183
Energy: 0.461214829502279
Energy: 0.49386512876314925
Energy: 0.4701717938270626
Energy: 0.4661018243854172
Energy: 0.4582121586684536
Energy: 0.45918387086172835
Energy: 0.46414203083782224
Energy: 0.3924110667811268
Energy: 0.4551970477097974
Energy: 0.23404288648346758
Energy: 0.23090750138606742
Energy: 0.45203028642379517
Energy: 0.3711244046286009
Energy: 0.38869922468488144
Energy: 0.46454299878153155
Energy: 0.4563269273102483
Energy: 0.2270736229721305
Energy: 0.4758236415435781
Energy: 0.3623278305163272
Energy: 0.38754145741984425
Energy: 0.4681224403111201
Energy: 0.4636721629812405
Energy: 0.4629557780502242
Energy: 0.4585695946776973
Energy: 0.4641179386168807
Energy: 0.3622419223338447
Energy: 0.45252182548050823
Energy: 0.32973222968502214
Energy: 0.38002259959428775
Energy: 0.33462419474172816
Energy: 0.4502370275316696
Energy: 0.45179016605286876
Energy: 0.45436845703718703
Energy: 0.3342500448863984
Energy: 0.3446812641131839
Energy: 0.3801978252713621
Energy: 0.4480258655301452
Energy: 0.4523204947057478
Energy: 0.3054236276292209
Energy: 0.30592911362761316
Energy: 0.33445656139826674
Energy: 0.30568544738575576
Energy: 0.3076987268803818
Energy: 0.4465227736806324
Energy: 0.3380969516734806
Energy: 0.3617858150014658
Energy: 0.3778456399623062
Energy: 0.30595873929597694
Energy: 0.33791885362166163
Energy: 0.328453690347038
Energy: 0.34383273991793195
Energy: 0.360575128645195
Energy: 0.37859215387046957
Energy: 0.45720859821836873
Energy: 0.4522687436887557
Energy: 0.45321107901648605
Energy: 0.335928126193897
Energy: 0.33457008841202873
Energy: 0.33487114203633367
Energy: 0.3336183956204646
Energy: 0.3486145436027834
Energy: 0.47237568039347333
Energy: 0.3348075674110459
Energy: 0.3389009379950758
Energy: 0.22709169801800672
Energy: 0.3331623997887472
Energy: 0.3351439614365219

minimum gb energy = 0.22676946026357062 eV
minimum distance =  2.67843574079571 Angstroms
sigma value = 11


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

Energy: 0.8048367949471772
Energy: 0.34354427497222473
Energy: 0.36887421078929084
Energy: 0.3748267978220811
Energy: 0.5037529685910056
Energy: 0.368233707570671
Energy: 0.3672832160491632
Energy: 0.35546804061524034
Energy: 0.3567033054855697
Energy: 0.3528571738288051
Energy: 0.35225521372283397
Energy: 0.3576569726885854
Energy: 0.35827151241240496
Energy: 0.36064970003996777
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Energy: 0.35610856082607445
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Energy: 0.35403317846361
Energy: 0.35880600789706574
Energy: 0.36585135998363727
Energy: 0.3640726641353425
Energy: 0.355841542763518
Energy: 0.35519516203307644
Energy: 0.3556156688838639
Energy: 0.3566224505823539
Energy: 0.4243345536311185
Energy: 0.39046356538139554
Energy: 0.3537452249105559
Energy: 0.35362632137041244
Energy: 0.35772169918449037
Energy: 0.37832721260507857
Energy: 0.3578119999361483
Energy: 0.39642723892000975
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Energy: 0.35802909136224126
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Energy: 0.35744240784810527
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Energy: 0.36305763243279787
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Energy: 0.3565379399325475
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Energy: 0.6690055369946069
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Energy: 0.4233668803694596
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Energy: 0.43220732047857335
Energy: 0.35807468628512984
Energy: 0.38075225610396024
Energy: 0.40746731449796914
Energy: 0.3579441100347654
Energy: 0.35310235539416146
Energy: 0.5348752671071917
Energy: 0.4244346100977842
Energy: 0.42262601077869955
Energy: 0.4295604269155044
Energy: 0.4269273847944331
Energy: 0.4229628887434884
Energy: 0.5666763269682858
Energy: 0.39867940723629786
Energy: 0.36836849482641193
Energy: 0.4948555637466246
Energy: 0.35469648812447624
Energy: 0.36070368892901483
Energy: 0.6910963491825801
Energy: 0.38720019867031746
Energy: 0.42316658416839087
Energy: 0.35568220680586604
Energy: 0.38715767904046994
Energy: 0.4226420227783926
Energy: 0.5456787319319166
Energy: 0.35697434579998255
Energy: 0.3571165488726429
Energy: 0.3582452988220351
Energy: 0.35574201035110076
Energy: 0.39420618206909336
Energy: 0.4698002300254157
Energy: 0.35389163439008015
Energy: 0.35110790169507283
Energy: 0.43324509796176325
Energy: 0.43160356451373144
Energy: 0.3563300235600757
Energy: 0.5349300804805802
Energy: 0.3928416669814905
Energy: 0.39074280283103435
Energy: 0.3860950069299211
Energy: 0.4251563523988049
Energy: 0.3880344867390172
Energy: 0.552259261108881
Energy: 0.36031580352816245
Energy: 0.36334575364914556
Energy: 0.5216621809150064
Energy: 0.3615051089556634
Energy: 0.3418786868129212
Energy: 0.35508644906559506
Energy: 0.3935226116251254
Energy: 0.3911808233522634
Energy: 0.38530502499118857
Energy: 0.39316193158638324
Energy: 0.38960231376240434
Energy: 0.3644362497663053
Energy: 0.35605826485916486
Energy: 0.35358244218192997
Energy: 0.3545804167133101
Energy: 0.35671614234466253
Energy: 0.35240093783640875
Energy: 0.41936068402856214
Energy: 0.35528269710184623
Energy: 0.3560191413994467
Energy: 0.3588629660407613
Energy: 0.3552758755286973
Energy: 0.3516204422378723
Energy: 0.3978978350964014
Energy: 0.35337067843259456
Energy: 0.35751752923331054
Energy: 0.3485641017881479
Energy: 0.35200244481256154
Energy: 0.35743147794691127

minimum gb energy = 0.3418786868129212 eV
minimum distance =  2.69329792426333 Angstroms
sigma value = 41


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

Energy: 0.7589615832597029
Energy: 0.37889841435333277
Energy: 0.37863726099414513
Energy: 0.3875820897117243
Energy: 0.40089910023648445
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Energy: 0.39256730243633725
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Energy: 0.37460295226065693
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Energy: 0.3764530322044306
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Energy: 0.37500148249677445
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Energy: 0.3730926882286441
Energy: 0.3918074389954665
Energy: 0.39957591507672063
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Energy: 0.3600710796432871
Energy: 0.40175184630059557
Energy: 0.37925253500722284
Energy: 0.4179268873984322
Energy: 0.3739292561420307
Energy: 0.37337465613619897
Energy: 0.3762646069251593
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Energy: 0.5432062466239748
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Energy: 0.37367378431841775
Energy: 0.4803539847476084
Energy: 0.3772144698687469
Energy: 0.37301880082854405
Energy: 0.5430933924461586
Energy: 0.3767791042765938
Energy: 0.3727381106170206
Energy: 0.37723001229115705
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Energy: 0.5241631165959899
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Energy: 0.3772662692580062
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Energy: 0.3607373675959146
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Energy: 0.3995958488710689
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Energy: 0.6935446701874105
Energy: 0.3792827073124732
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Energy: 0.3735968621995033
Energy: 0.38144543864455505
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Energy: 0.37558852697158374
Energy: 0.36118750570516023
Energy: 0.37746131634590224
Energy: 0.37249716150148093
Energy: 0.3723584589494669
Energy: 0.37476392399354075
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Energy: 0.37282638837014825
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Energy: 0.37176861553221635
Energy: 0.3726303216548111
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Energy: 0.37694796144148734
Energy: 0.37318647910018193
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Energy: 0.3760357252876929
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Energy: 0.372645483728409
Energy: 0.40777321379840403
Energy: 0.474970038024172
Energy: 0.3835101365449868
Energy: 0.37515167118568965
Energy: 0.4769656697747953
Energy: 0.412122775574845
Energy: 0.4171989327386866
Energy: 0.37343563112639977
Energy: 0.37382427249469463
Energy: 0.37540573589409665
Energy: 0.3736790398742225
Energy: 0.3736404353803352
Energy: 0.3918727895648689
Energy: 0.40274130873918007
Energy: 0.3731769617762246
Energy: 0.36017073954402207
Energy: 0.40632250005366366
Energy: 0.36173214249144736
Energy: 0.41660128914138833
Energy: 0.37371220900697283
Energy: 0.3722896265392532
Energy: 0.3749152000166512
Energy: 0.3746196486654175
Energy: 0.373328957287409
Energy: 0.5426005575112076
Energy: 0.3767095353434643
Energy: 0.3730621191200109
Energy: 0.37692289787036526
Energy: 0.37682061289220675
Energy: 0.37266452113291726
Energy: 0.5429216112470745
Energy: 0.373696829815171
Energy: 0.37393632499516627
Energy: 0.4801836169634763
Energy: 0.377573333497518
Energy: 0.3732393728155403
Energy: 0.41665591968527194
Energy: 0.36254448759095187
Energy: 0.37347369039510075
Energy: 0.37657823746115415
Energy: 0.36089764611948827
Energy: 0.3755663570985986
Energy: 0.37848754973101373
Energy: 0.38064422574649476
Energy: 0.3601107686283753
Energy: 0.3733612509170397
Energy: 0.49914882456289933
Energy: 0.3599534261109742
Energy: 0.4486489933262981
Energy: 0.37802960246001016
Energy: 0.37795228892815635
Energy: 0.37441984313021115
Energy: 0.3776503678236209
Energy: 0.3779457485083387
Energy: 0.3788978445788441
Energy: 0.374873287371426
Energy: 0.3715186109654636
Energy: 0.3735906638624758
Energy: 0.3737971226614172
Energy: 0.3720933821899918
Energy: 0.37785213100291937
Energy: 0.3722721013808538
Energy: 0.3725525525709114
Energy: 0.37045417847860246
Energy: 0.37527905088554464
Energy: 0.3727802163530945
Energy: 0.6931226868580797
Energy: 0.3747638033734084
Energy: 0.36351023410049416
Energy: 0.5040707398637322
Energy: 0.3745677700072539
Energy: 0.3610525034068385

minimum gb energy = 0.3599534261109742 eV
minimum distance =  2.67260967172971 Angstroms
sigma value = 33


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

Energy: 0.5518856987174563
Energy: 0.44469931901627124
Energy: 0.41281588741088876
Energy: 0.4098789454902694
Energy: 0.45350057501120544
Energy: 0.4451101089752941
Energy: 0.45511452873861635
Energy: 0.4043275613476979
Energy: 0.4059055644038651
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Energy: 0.4062651668064754
Energy: 0.40524415707012573
Energy: 0.46071930986931814
Energy: 0.45034221836086946
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Energy: 0.4034642738747039
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Energy: 0.4615576811290661
Energy: 0.40600439347004597
Energy: 0.4553761204842519
Energy: 0.45194427595201514
Energy: 0.4039481591107044
Energy: 0.4040142447446609
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Energy: 0.4306963234694176
Energy: 0.45636219506059494
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Energy: 0.43741856841173266
Energy: 0.43972516168271886
Energy: 0.48380041257118295
Energy: 0.4313486301258182
Energy: 0.4305586963055544
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Energy: 0.4894688053714824
Energy: 0.42334845142916516
Energy: 0.46584022133336556
Energy: 0.46162747275503624
Energy: 0.406701506474787
Energy: 0.4067557038470372
Energy: 0.4136976654042096
Energy: 0.4075793171012225
Energy: 0.40778560093309074
Energy: 0.7693463715171897
Energy: 0.40160680193824244
Energy: 0.38923068073569317
Energy: 0.38905853228346043
Energy: 0.3989458717430052
Energy: 0.421258593604753

minimum gb energy = 0.38858868781483674 eV
minimum distance =  2.67181839689232 Angstroms
sigma value = 67


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

Energy: 0.6106548177119708
Energy: 0.43938178149528556
Energy: 0.4383100220864096
Energy: 0.4384865891745274
Energy: 0.42114978613317694
Energy: 0.43716955595869755
Energy: 0.46041586689367614
Energy: 0.42082223734755864
Energy: 0.4196580280297657
Energy: 0.4184564903251932
Energy: 0.4192480198835775
Energy: 0.41865902305655855
Energy: 0.43176064273658993
Energy: 0.40604272831576094
Energy: 0.41471284309255313
Energy: 0.41551139815981913
Energy: 0.4033422996116999
Energy: 0.4142742256502422
Energy: 0.4319572495253793
Energy: 0.41627504952480904
Energy: 0.4148372543388934
Energy: 0.415475914957084
Energy: 0.4167180419784817
Energy: 0.41470698205691936
Energy: 0.4419400764142672
Energy: 0.4218599781923625
Energy: 0.42149435957373665
Energy: 0.42479232153462937
Energy: 0.41943302879905914
Energy: 0.4210367506229918
Energy: 0.4420670569663997
Energy: 0.42219795204810795
Energy: 0.42125174394628284
Energy: 0.4248370907325134
Energy: 0.4219046557217655
Energy: 0.4213177153974349
Energy: 0.4600891268685029
Energy: 0.42069309941149136
Energy: 0.4195410877249755
Energy: 0.4004451805353032
Energy: 0.41902125560949044
Energy: 0.4193910669766524

minimum gb energy = 0.4004451805353032 eV
minimum distance =  2.71523930837322 Angstroms
sigma value = 3


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

Energy: 0.6342753908100974
Energy: 0.47662431883640155
Energy: 0.46535830646867127
Energy: 0.45904409633015036
Energy: 0.7873269326039044
Energy: 0.46224617174795746
Energy: 0.48723898668324067
Energy: 0.49209345834181156
Energy: 0.49097750953164376
Energy: 0.496621063673393
Energy: 0.49790889864395865
Energy: 0.47862052349667006
Energy: 0.508084893779633
Energy: 0.4938528213505601
Energy: 0.49668232798752515
Energy: 0.5073614055253961
Energy: 0.4922756939329766
Energy: 0.4798278380061343
Energy: 0.4790771596392836
Energy: 0.48045374716971034
Energy: 0.48004609826415034
Energy: 0.4797121044320726
Energy: 0.4962037892622432
Energy: 0.48022843458946946
Energy: 0.4886707749357496
Energy: 0.4745027745709122
Energy: 0.4673863288566564
Energy: 0.48877609425067736
Energy: 0.4763132197418536
Energy: 0.47127406888256973
Energy: 0.4774989259330713
Energy: 0.46860150033902803
Energy: 0.4677006017129639
Energy: 0.4800857260648392
Energy: 0.471561994832183
Energy: 0.48069569176100274
Energy: 0.48437934949016975
Energy: 0.46648517247357923
Energy: 0.47404707410698027
Energy: 0.4720805001960232
Energy: 0.46503716582715765
Energy: 0.4742651393401333
Energy: 0.6260385313434506
Energy: 0.4944472264586468
Energy: 0.49338023781017587
Energy: 0.47409421984146954
Energy: 0.5071219836780763
Energy: 0.5052179510412003
Energy: 0.48192402792615663
Energy: 0.48028937964433194
Energy: 0.48415288734451706
Energy: 0.47434793271791864
Energy: 0.47954953370139325
Energy: 0.499728727353285
Energy: 0.47840422520803694
Energy: 0.4690717379713026
Energy: 0.4593782134774974
Energy: 0.5081695091021972
Energy: 0.47258851321640694
Energy: 0.49073361797484116
Energy: 0.5140546762828223
Energy: 0.464974687541515
Energy: 0.4648386464975373
Energy: 0.47097721740055243
Energy: 0.4658772171486237
Energy: 0.48179466020980977
Energy: 0.468287418855447
Energy: 0.48023967274081975
Energy: 0.4806359151281667
Energy: 0.4689812462911079
Energy: 0.46751443396181064
Energy: 0.47843864120977053
Energy: 0.47790909561214845
Energy: 0.47589528332217307
Energy: 0.4760935456165221
Energy: 0.46810561725894057
Energy: 0.4749293788114056
Energy: 0.47766139722105766
Energy: 0.51031143463038
Energy: 0.47768015159048516
Energy: 0.48349046565530385
Energy: 0.4766805689539654
Energy: 0.4762934291094243
Energy: 0.4802226351146203
Energy: 0.5008271008644775
Energy: 0.5032155469218428
Energy: 0.5010686891038101
Energy: 0.4908534116700839
Energy: 0.5032519172599851
Energy: 0.48271696068113334
Energy: 0.49702324736214
Energy: 0.5023462296170232
Energy: 0.4814346615117849
Energy: 0.49309090018852664
Energy: 0.503165103885501
Energy: 0.4812181492401312
Energy: 0.550659573756012
Energy: 0.45585906992582853
Energy: 0.4579884562404972
Energy: 0.4858233699656082
Energy: 0.4862068292707891
Energy: 0.47295760783512014
Energy: 0.48733113288577745
Energy: 0.47708209214166436
Energy: 0.4605251629355299
Energy: 0.4888213368506938
Energy: 0.47495307046461455
Energy: 0.4609822298406967
Energy: 0.5482592842715747
Energy: 0.47936862330646024
Energy: 0.48465521583727994
Energy: 0.4723631683561572
Energy: 0.5243329615359806
Energy: 0.4984222246656769
Energy: 0.5215022640961388
Energy: 0.46808036972186157
Energy: 0.470620273515261
Energy: 0.47082894251056523
Energy: 0.4693998697438809
Energy: 0.45960514427843213
Energy: 0.48180009298574045
Energy: 0.45914632910624975
Energy: 0.45702385856757793
Energy: 0.4654841836962854
Energy: 0.4626421858172903
Energy: 0.4752142350378825
Energy: 0.4808334817966556
Energy: 0.4619411733603744
Energy: 0.4602785021975755
Energy: 0.4753910506301482
Energy: 0.4599297290985962
Energy: 0.4599092521094428
Energy: 0.4879973908640344
Energy: 0.4822293361360456
Energy: 0.4778894824715253
Energy: 0.4819827298101996
Energy: 0.4829437068541569
Energy: 0.4784852465134395
Energy: 0.4826984402179783
Energy: 0.4733895168419631
Energy: 0.4738925979232767
Energy: 0.4833049559238682
Energy: 0.47401502287950287
Energy: 0.475791990890441
Energy: 0.49491784656432897
Energy: 0.47945717541952015
Energy: 0.4720496610151198
Energy: 0.4708988807922054
Energy: 0.48113110941853937
Energy: 0.4710229075770633
Energy: 0.563827773121206
Energy: 0.5007423385503449
Energy: 0.49500012014233036
Energy: 0.4864398134107716
Energy: 0.5007513490775745
Energy: 0.4828979549930208
Energy: 0.4617221398548569
Energy: 0.4862003515488772
Energy: 0.48734956135738017
Energy: 0.45916525969965744
Energy: 0.48017769015566425
Energy: 0.4827777103871491
Energy: 0.4962266354988854
Energy: 0.47305670709916836
Energy: 0.4720609174107643
Energy: 0.4698308762187149
Energy: 0.4881437875228232
Energy: 0.47094773892882213
Energy: 0.49916159713617825
Energy: 0.49740546211926967
Energy: 0.4966230855221472
Energy: 0.4977026429962108
Energy: 0.4897439099946856
Energy: 0.49220767511683866
Energy: 0.49186050375024915
Energy: 0.4802614063015576
Energy: 0.4876659053147365
Energy: 0.4902990297598952
Energy: 0.4805213746102301
Energy: 0.4961590931013851
Energy: 0.490700975157744
Energy: 0.49368652311503003
Energy: 0.4847276215951598
Energy: 0.4895331125774704
Energy: 0.48708526940076236
Energy: 0.4862656635605163
Energy: 0.49608548895633453
Energy: 0.4698383857743103
Energy: 0.4687819602245427
Energy: 0.47724933987581236
Energy: 0.4711466552031581
Energy: 0.46784029531960686
Energy: 0.5503818918478482
Energy: 0.46872068344087686
Energy: 0.4742298085000161
Energy: 0.4830915996287138
Energy: 0.46845356135675836
Energy: 0.45783039029129885
Energy: 0.4696188776173792
Energy: 0.4942625545458669
Energy: 0.46993482848281043
Energy: 0.45963776837522896
Energy: 0.46545739470992753
Energy: 0.4728613965548687
Energy: 0.48537626809622003
Energy: 0.4870417953038117
Energy: 0.4948952836251943
Energy: 0.4786765581285939
Energy: 0.4649833744888968
Energy: 0.47196683127168687
Energy: 0.4971642871257737
Energy: 0.47364662329042634
Energy: 0.45931111663526464
Energy: 0.48544413802775566
Energy: 0.4694014396097277
Energy: 0.46158393802852254
Energy: 0.47356896898088463
Energy: 0.4806047207821093
Energy: 0.48183022145389676
Energy: 0.46166096358105596
Energy: 0.4809954420380127
Energy: 0.470991682998485
Energy: 0.4803262510539336
Energy: 0.4766487118051743
Energy: 0.476996203516637
Energy: 0.47774839154675763
Energy: 0.47695024806238057
Energy: 0.508112507754315
Energy: 0.5155642270680517
Energy: 0.48212080142155783
Energy: 0.4806154993821121
Energy: 0.4785638740495937
Energy: 0.4805580670979159
Energy: 0.4817631932069868
Energy: 0.4987625536530885
Energy: 0.475243069301467
Energy: 0.47638432845857714
Energy: 0.49030238491104133
Energy: 0.4758775235056804
Energy: 0.4791141607723904
Energy: 0.5117433286859158
Energy: 0.47956691686261815
Energy: 0.5037840447083893
Energy: 0.47738252115336616
Energy: 0.4877435365761537
Energy: 0.5043358121319982
Energy: 0.487072770929449
Energy: 0.47487799938222675
Energy: 0.4756748793892821
Energy: 0.49491113430442
Energy: 0.48614863566618816
Energy: 0.4830774843976975
Energy: 0.5388840731290966
Energy: 0.4748370488630863
Energy: 0.4601325993856799
Energy: 0.5224974138225688
Energy: 0.48720070262201653
Energy: 0.49639653918885646
Energy: 0.47642999027138255
Energy: 0.5033953726090072
Energy: 0.5018329548739329
Energy: 0.48068620497275066
Energy: 0.5036055336998503
Energy: 0.5084234217216023
Energy: 0.613129033913352
Energy: 0.4602983737397264
Energy: 0.5019223553500514
Energy: 0.501596054601725
Energy: 0.46359439842367567
Energy: 0.458854268678357
Energy: 0.47758379300790943
Energy: 0.4690700346043932
Energy: 0.46633983415328445
Energy: 0.4575634594652821
Energy: 0.46876759118724814
Energy: 0.46521176078663135
Energy: 0.46387812335578243
Energy: 0.4650868582426812
Energy: 0.4594212385386161
Energy: 0.4622490876060797
Energy: 0.45948623294844804
Energy: 0.4540129280561085
Energy: 0.46196303282937023
Energy: 0.45652612768688955
Energy: 0.47411181146558967
Energy: 0.4609186025859146
Energy: 0.4599749026194052
Energy: 0.45530787438626275
Energy: 0.46818685915644803
Energy: 0.48245619057421685
Energy: 0.46209996095762357
Energy: 0.46834830125830434
Energy: 0.48404021447004514
Energy: 0.46218670157678854
Energy: 0.4803292437682356
Energy: 0.49439090606393316
Energy: 0.5074563075730816
Energy: 0.48338811659674674
Energy: 0.49416780467611615
Energy: 0.4875114914999048
Energy: 0.48370319681990925
Energy: 0.48456367763509955
Energy: 0.4558422019292116
Energy: 0.4857299811714698
Energy: 0.48839797024038756
Energy: 0.4543254310537441

minimum gb energy = 0.4540129280561085 eV
minimum distance =  2.69306096534596 Angstroms
sigma value = 81


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

Energy: 1.0148851130491134
Energy: 0.4814099308117453
Energy: 0.46499952213610685
Energy: 0.46548796671929865
Energy: 0.7397667740107401
Energy: 0.46389994189283706
Energy: 0.45266757105998523
Energy: 0.4729407690319864
Energy: 0.4593670446694417
Energy: 0.47770089221525197
Energy: 0.46150665293703036
Energy: 0.461138172951237
Energy: 0.4852071774069458
Energy: 0.44604566380511784
Energy: 0.44567091947841747
Energy: 0.4836285548078275
Energy: 0.44834447384576936
Energy: 0.4815545124287844
Energy: 0.47107080710060384
Energy: 0.4473127807071768
Energy: 0.45379174553105084
Energy: 0.4710171677869575
Energy: 0.44927489605180554
Energy: 0.45880249323400957
Energy: 0.47360114530918945
Energy: 0.4564081493544935
Energy: 0.4553292514309019
Energy: 0.4718329979022021
Energy: 0.4585195242358753
Energy: 0.4592078739682305
Energy: 0.47844491862393795
Energy: 0.46276669088346234
Energy: 0.45988510133509863
Energy: 0.46802253023735024
Energy: 0.4656548292844655
Energy: 0.4626681515902466
Energy: 0.4638367047736638
Energy: 0.45791467248383716
Energy: 0.46130195156464865
Energy: 0.493912586774573
Energy: 0.46111995304008874
Energy: 0.46198510592992686
Energy: 0.5382437495536984
Energy: 0.5058694578929046
Energy: 0.513935887455097
Energy: 0.44614187084730983
Energy: 0.501046540574902
Energy: 0.49262924504870564
Energy: 0.47379950798369713
Energy: 0.4614275955124161
Energy: 0.4614221326398859
Energy: 0.45834948494399047
Energy: 0.4492209638735331
Energy: 0.46219730537808157
Energy: 0.4812553584607321
Energy: 0.45665388461662954
Energy: 0.4568476542628185
Energy: 0.46813875300560825
Energy: 0.4511001563568781
Energy: 0.4573173399353659
Energy: 0.477160899700714
Energy: 0.4552281768971077
Energy: 0.4565820480152789
Energy: 0.45625132298411036
Energy: 0.45661522025484974
Energy: 0.44876463796031746
Energy: 0.4551509592605803
Energy: 0.45985455764156824
Energy: 0.4582830644150966
Energy: 0.4649329062343743
Energy: 0.4612536848625343
Energy: 0.4581325110201169
Energy: 0.4813091004488792
Energy: 0.45965274825239577
Energy: 0.45958633750102784
Energy: 0.447665714612562
Energy: 0.465706802686564
Energy: 0.4450985809872183
Energy: 0.4580582151280875
Energy: 0.46511301372820996
Energy: 0.4707176644415239
Energy: 0.46391100634703447
Energy: 0.4584387777765066
Energy: 0.4660138273843268
Energy: 0.523488893264193
Energy: 0.4797729202160852
Energy: 0.47953227022684436
Energy: 0.4792851797853927
Energy: 0.48336689443601016
Energy: 0.4754983030282954
Energy: 0.4903370663634073
Energy: 0.4858118846225649
Energy: 0.4838352532912623
Energy: 0.4734233397323057
Energy: 0.4725532608004803
Energy: 0.4704765694892206
Energy: 0.518795301119031
Energy: 0.4442396901593363
Energy: 0.4447140572230039
Energy: 0.48311583403354913
Energy: 0.4432679836344551
Energy: 0.44406352279800776
Energy: 0.4648921516792789
Energy: 0.44938568632896153
Energy: 0.4499941142397199
Energy: 0.456827683768756
Energy: 0.44930025368585774
Energy: 0.46461956458413445
Energy: 0.46761054879915986
Energy: 0.4605282490191161
Energy: 0.4634582507662916
Energy: 0.4555662390283272
Energy: 0.4768320532159496
Energy: 0.46319028415991104
Energy: 0.46674002357335165
Energy: 0.4595336046960135
Energy: 0.4621400195377047
Energy: 0.45455339597686906
Energy: 0.4655481063231763
Energy: 0.4609433693092274
Energy: 0.4646781412448821
Energy: 0.4523468557131882
Energy: 0.45404445430527784
Energy: 0.44874103356821676
Energy: 0.4485490176668791
Energy: 0.45311934169850143
Energy: 0.4811023634785508
Energy: 0.4447090694433644
Energy: 0.44463583384514804
Energy: 0.46164909416656646
Energy: 0.4448796031491793
Energy: 0.44459539480855886
Energy: 0.45434754298887786
Energy: 0.4666180064332674
Energy: 0.46578182091858034
Energy: 0.4696850475612499
Energy: 0.46773245166304217
Energy: 0.46789432935029635
Energy: 0.48870598121123643
Energy: 0.46648761397417565
Energy: 0.4758233270834073
Energy: 0.47941600395254097
Energy: 0.4841766454409256
Energy: 0.47279384197719904
Energy: 0.45737413992398934
Energy: 0.463390126855969
Energy: 0.4808466274481084
Energy: 0.4590895218714901
Energy: 0.46055648710989944
Energy: 0.4846071962498772
Energy: 0.5391046534304719
Energy: 0.5045502576087016
Energy: 0.504786663467066
Energy: 0.4505738837044427
Energy: 0.5058180450896249
Energy: 0.5045609433971928
Energy: 0.5246595361936924
Energy: 0.4602200933036057
Energy: 0.46077457807982675
Energy: 0.45621600872715967
Energy: 0.46145329957793685
Energy: 0.4587341503000458
Energy: 0.4793280757388965
Energy: 0.45470919485214994
Energy: 0.46401018400827154
Energy: 0.4566112036291617
Energy: 0.45740822058363806
Energy: 0.46420169027089103
Energy: 0.4765349995231017
Energy: 0.45517433889643727
Energy: 0.4557201841205998
Energy: 0.4706600886451226
Energy: 0.4507317999528831
Energy: 0.456555534467058
Energy: 0.47231169887960756
Energy: 0.46457367831810203
Energy: 0.46007987426848973
Energy: 0.4563484928027308
Energy: 0.4503715708503473
Energy: 0.46027059331622894
Energy: 0.4828533609292564
Energy: 0.4862763889749188
Energy: 0.4603441265476578
Energy: 0.4464281151517466
Energy: 0.48247158856788297
Energy: 0.44480761259020873
Energy: 0.46935416281552983
Energy: 0.4569476522164791
Energy: 0.46074330546522846
Energy: 0.4572691706096012
Energy: 0.4578253339620055
Energy: 0.45976693233882965
Energy: 0.4801286625462404
Energy: 0.46549450101658163
Energy: 0.45837999474680785
Energy: 0.45637274703162867
Energy: 0.4654310862594508
Energy: 0.4585018272962772
Energy: 0.4782671748238532
Energy: 0.46029547845432045
Energy: 0.45982229330939733
Energy: 0.47094064527633234
Energy: 0.4632805491629911
Energy: 0.46057915099773
Energy: 0.47741927889579533
Energy: 0.46804458275048105
Energy: 0.45983824216970004
Energy: 0.47866048156555374
Energy: 0.44947364943024104
Energy: 0.45677583920459025
Energy: 0.5292888217845341
Energy: 0.4433049646087479
Energy: 0.4447390237890609
Energy: 0.48030906926124867
Energy: 0.44859605761878985
Energy: 0.5224591169524188
Energy: 0.4722452417681242
Energy: 0.474186889600555
Energy: 0.46561662784169305
Energy: 0.490101452959838
Energy: 0.4669413809625706
Energy: 0.46248207113175516
Energy: 0.5653904434926101
Energy: 0.4983331123480726
Energy: 0.4664397611246594
Energy: 0.4581400018900974
Energy: 0.5020936122323607
Energy: 0.46541799566104636

minimum gb energy = 0.4432679836344551 eV
minimum distance =  2.67099703347458 Angstroms
sigma value = 43


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

Energy: 0.6799942003643634
Energy: 0.47294289663773276
Energy: 0.4543619670320624
Energy: 0.45266908349917867
Energy: 0.4918787491079583
Energy: 0.45327830356214005
Energy: 0.4347214831002683
Energy: 0.4464549337654226
Energy: 0.4481274778178347
Energy: 0.48669586821621214
Energy: 0.4442851591735261
Energy: 0.44061130940950005
Energy: 0.4419130757321479
Energy: 0.4797370721953494
Energy: 0.4332372029444365
Energy: 0.44703468468008245
Energy: 0.43299042594463527
Energy: 0.435609387159295
Energy: 0.4410635276706531
Energy: 0.43652928816772113
Energy: 0.43919420792318503
Energy: 0.4413943526607494
Energy: 0.4335715033745228
Energy: 0.4384771732438062
Energy: 0.44083100694690724
Energy: 0.43462463405115553
Energy: 0.4340501095819643
Energy: 0.4376577087865491
Energy: 0.4335643695769732
Energy: 0.43400657830239664
Energy: 0.44111758242461235
Energy: 0.43516175087410197
Energy: 0.4311310216525747
Energy: 0.43143702980229204
Energy: 0.43371722844819877
Energy: 0.4346102213574984
Energy: 0.44220481272206386
Energy: 0.4362698081104162
Energy: 0.43274789482945314
Energy: 0.4330484481849838
Energy: 0.4412645999513815
Energy: 0.43350075099163166
Energy: 0.4977597888730138
Energy: 0.44228937926370643
Energy: 0.44533451093178095
Energy: 0.46964807904504835
Energy: 0.4440099208244614
Energy: 0.4425269238469749
Energy: 0.44339229306758826
Energy: 0.4355451949601735
Energy: 0.4384868314599241
Energy: 0.4432189505632648
Energy: 0.43937991193048476
Energy: 0.43964045904478155
Energy: 0.444357640946807
Energy: 0.45120264961731166
Energy: 0.44630356526275045
Energy: 0.46074171930490976
Energy: 0.4476148258505453
Energy: 0.445077604991657
Energy: 0.46332848551568206
Energy: 0.46760079438935315
Energy: 0.43800094164815495
Energy: 0.4440253351792476
Energy: 0.44984544273120336
Energy: 0.4490491570712809
Energy: 0.4512610797333832
Energy: 0.4389995571334456
Energy: 0.4364751104520915
Energy: 0.4358358292590491
Energy: 0.43898427039107774
Energy: 0.437531072276131
Energy: 0.4525112761209174
Energy: 0.4416993300624714
Energy: 0.4312150764769613
Energy: 0.4362183640171756
Energy: 0.44168514716390556
Energy: 0.431453865357048
Energy: 0.4633896801178875
Energy: 0.43366399670637007
Energy: 0.4477008590253968
Energy: 0.4427044922281809
Energy: 0.4365744418043355
Energy: 0.4435343563641378
Energy: 0.4628125059833079
Energy: 0.4465838572661309
Energy: 0.44490230098245337
Energy: 0.45760981366088394
Energy: 0.4307445074658206
Energy: 0.44499214211745663
Energy: 0.4605774909706989
Energy: 0.4333032641680078
Energy: 0.4597378114203945
Energy: 0.4606990372609225
Energy: 0.4343362143402405
Energy: 0.4599005736431541
Energy: 0.4594773421435131
Energy: 0.46350789183760477
Energy: 0.4646094957822309
Energy: 0.45944157446743034
Energy: 0.4586123365319599
Energy: 0.4684478505965946
Energy: 0.45945538625293836
Energy: 0.45820787156494647
Energy: 0.4604919933451298
Energy: 0.46580253785704573
Energy: 0.4665356146001746
Energy: 0.46987211028003234
Energy: 0.4463753287860731
Energy: 0.46544223749237873
Energy: 0.46568242331029075
Energy: 0.4412797163950061
Energy: 0.46069163431644294
Energy: 0.44054521364739535
Energy: 0.4470247330302739
Energy: 0.46516806640789404
Energy: 0.4685799327168205
Energy: 0.4453920690661477
Energy: 0.46519123662004297
Energy: 0.44613938429076155
Energy: 0.4595449488513401
Energy: 0.46756555310483966
Energy: 0.4634318910237441
Energy: 0.46576805815812267
Energy: 0.4486077846067729
Energy: 0.46928868748324826
Energy: 0.49548737816947536
Energy: 0.45343884699865045
Energy: 0.45463215257669676
Energy: 0.4609131193659934
Energy: 0.4453777020934999
Energy: 0.45365688945410626
Energy: 0.4606119938935186
Energy: 0.46687543745073457
Energy: 0.46807020486196615
Energy: 0.4654850108517165
Energy: 0.4671288760568265
Energy: 0.4605731774085926
Energy: 0.47685167922983895
Energy: 0.4657072386957289
Energy: 0.4686361397259289
Energy: 0.45191401017685773
Energy: 0.47042045571673086
Energy: 0.46269868869105346
Energy: 0.5112241849645563
Energy: 0.4604797237334953
Energy: 0.4658509155546452
Energy: 0.46263880260632395
Energy: 0.46089272723933455
Energy: 0.46592455658255905
Energy: 0.4891942606469727
Energy: 0.4594707804050053
Energy: 0.45144922485539063
Energy: 0.4505494495725213
Energy: 0.4629277712769822
Energy: 0.4522997540890827
Energy: 0.4889963005010136
Energy: 0.44940939389364076
Energy: 0.4504249664994878
Energy: 0.4429848880568612
Energy: 0.4579542683719401
Energy: 0.45058279312035293
Energy: 0.48952580401322393
Energy: 0.44670640994146527
Energy: 0.4463595010025211
Energy: 0.4406324970682222
Energy: 0.44974482275980976
Energy: 0.43804999117624577
Energy: 0.44047993056624496
Energy: 0.4823099662476118
Energy: 0.48435866945683614
Energy: 0.44066748789150034
Energy: 0.4696965937873703
Energy: 0.4451912601970726
Energy: 0.4416165186224625
Energy: 0.446173630795605
Energy: 0.4440477728900692
Energy: 0.48572431965594215
Energy: 0.4432840676083401
Energy: 0.43973062438170685
Energy: 0.44930485573747475
Energy: 0.4613089612516786
Energy: 0.4546433861727268
Energy: 0.4542153774449746
Energy: 0.4604394047368508
Energy: 0.45725461255194527

minimum gb energy = 0.4307445074658206 eV
minimum distance =  2.64448217138293 Angstroms
sigma value = 57


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

Energy: 0.5625828346873041
Energy: 0.4585752859563083
Energy: 0.4593076483059073
Energy: 0.4378669906027614
Energy: 0.5080794680072728
Energy: 0.559069720228932
Energy: 0.4525582898651961
Energy: 0.43064496156297893
Energy: 0.4323949526827616
Energy: 0.46994063347338266
Energy: 0.46774907405261423
Energy: 0.4353343401288174
Energy: 0.4393874431329369
Energy: 0.4303657136902105
Energy: 0.4304150670363263
Energy: 0.4557901080539809
Energy: 0.4300537551095709
Energy: 0.4298400499329972
Energy: 0.46504612122738104
Energy: 0.42885862848263506
Energy: 0.4287043368366873
Energy: 0.46496141340794067
Energy: 0.42817747544611723
Energy: 0.43295590973285497
Energy: 0.46497185728241885
Energy: 0.42791604902001035
Energy: 0.4288548514002997
Energy: 0.4343391204777445
Energy: 0.42762972356070333
Energy: 0.4303299579496599
Energy: 0.4279383560101383
Energy: 0.4275842356829859
Energy: 0.42725647769646236
Energy: 0.4277377733241992
Energy: 0.42912118340707794
Energy: 0.42813973799869526
Energy: 0.47586827924930414
Energy: 0.4473641167474691
Energy: 0.44607095534493524
Energy: 0.4335169123518429
Energy: 0.466716328771078
Energy: 0.4374444653875572
Energy: 0.47042135670282126
Energy: 0.45930960348975725
Energy: 0.4400566930833968
Energy: 0.4432305495705172
Energy: 0.4474650882813981
Energy: 0.42749756927374205
Energy: 0.4361668613004238
Energy: 0.43227781539600946
Energy: 0.4313877472249047
Energy: 0.47759745095482914
Energy: 0.4674579190937429
Energy: 0.4330123612263869
Energy: 0.5008249069471634
Energy: 0.43698418734278016
Energy: 0.43798363756907227
Energy: 0.4400277659864165
Energy: 0.4373686650744349
Energy: 0.4370814786882621
Energy: 0.4585861780503602
Energy: 0.43238814575834267
Energy: 0.43237345207628597
Energy: 0.47732989412709514
Energy: 0.44168595544935757
Energy: 0.4330017131491434
Energy: 0.4473858484596572
Energy: 0.4592377309323465
Energy: 0.4324454246531324
Energy: 0.4315270129488706
Energy: 0.46528912315213217
Energy: 0.4261557127852955
Energy: 0.4265268745579306
Energy: 0.45600586927431513
Energy: 0.4253065993974116
Energy: 0.4335885622424457
Energy: 0.46061928957225473
Energy: 0.42570514750830757
Energy: 0.45701408736685917
Energy: 0.43761103014253816
Energy: 0.4347720478078713
Energy: 0.4681328508510279
Energy: 0.4371781835437038
Energy: 0.4330813496691858
Energy: 0.44035979437862977
Energy: 0.4265767049868616
Energy: 0.4424561968999755
Energy: 0.4543526298174481
Energy: 0.4263499112662687
Energy: 0.44214792595205016
Energy: 0.43393540138882236
Energy: 0.4321548287402869
Energy: 0.4442013959240351
Energy: 0.4650478492315476
Energy: 0.4325668519447755
Energy: 0.44578802146230945
Energy: 0.4672321875667717
Energy: 0.4292234261525961
Energy: 0.42865069950525375
Energy: 0.4369743345379087
Energy: 0.42905540617193544
Energy: 0.4274888462777848
Energy: 0.46761588774879664
Energy: 0.43630339863433687
Energy: 0.4293276444971454
Energy: 0.42683737704441743
Energy: 0.43458369051165446
Energy: 0.4295643879663108
Energy: 0.47880272370193044
Energy: 0.4668511883442935
Energy: 0.4324051593735695
Energy: 0.43237299812577185
Energy: 0.46534064970609795
Energy: 0.43373564193416997
Energy: 0.4791102982960486
Energy: 0.45722363556454537
Energy: 0.4301892293691282
Energy: 0.43313559050368183
Energy: 0.45686456412344184
Energy: 0.43044836321897983
Energy: 0.4362232412705478
Energy: 0.4300286487786036
Energy: 0.43669743247379195
Energy: 0.4766227597561294
Energy: 0.4709053695323159
Energy: 0.43198819736637567
Energy: 0.494065374087493
Energy: 0.4382141797328505
Energy: 0.4302058372625852
Energy: 0.438789120296036
Energy: 0.43722186128502016
Energy: 0.43646437953627615
Energy: 0.4569695310990469
Energy: 0.4297023097028205
Energy: 0.438030506134604
Energy: 0.4761798568618193
Energy: 0.4690221272948292
Energy: 0.4361924552052281
Energy: 0.4266698320498165
Energy: 0.45585980279435806
Energy: 0.4252013851490401
Energy: 0.42549692356862523
Energy: 0.45697736653259347
Energy: 0.42557902679705045

minimum gb energy = 0.4252013851490401 eV
minimum distance =  2.70971663175231 Angstroms
sigma value = 17


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

Energy: 0.4294818317705935
Energy: 0.5561436639960796
Energy: 0.5429794791640172
Energy: 0.44268822535327806
Energy: 0.6248091444117608
Energy: 0.43726712883378455
Energy: 0.4563632485068329
Energy: 0.4781549618269508
Energy: 0.43230569096768967
Energy: 0.5033569507359331
Energy: 0.49155534846943544
Energy: 0.42328771498616197
Energy: 0.4776868375092265
Energy: 0.4178595517651515
Energy: 0.4178410477365885
Energy: 0.4781192371918711
Energy: 0.4180388969694402
Energy: 0.4175118774241407
Energy: 0.4871487551528246
Energy: 0.4179940188948731
Energy: 0.4383086430615813
Energy: 0.48751790208287027
Energy: 0.3888752932781693
Energy: 0.4476762416186536
Energy: 0.4438131933896628
Energy: 0.40380965230332055
Energy: 0.40424254850497804
Energy: 0.4442171140906113
Energy: 0.4034254160599282
Energy: 0.40413602878344673
Energy: 0.43711998077689335
Energy: 0.4064104954229012
Energy: 0.4069713495977394
Energy: 0.39291029136682243
Energy: 0.4407925430535343
Energy: 0.39130137122440806
Energy: 0.4426330655317441
Energy: 0.4383370923082599
Energy: 0.41644675151513166
Energy: 0.4264995468409281
Energy: 0.4408592382141102
Energy: 0.41336006051240476
Energy: 0.4259289868707187
Energy: 0.3916177076513957
Energy: 0.39095097605329904
Energy: 0.3914669844416806
Energy: 0.3915305408801226
Energy: 0.4061244773551508
Energy: 0.4394961625125517
Energy: 0.3887961577538894
Energy: 0.3895050977303745
Energy: 0.440600805539356
Energy: 0.389413784985413
Energy: 0.3892917107300867
Energy: 0.44026252442999597
Energy: 0.40712133730762645
Energy: 0.40715911592823106
Energy: 0.4401707643121046
Energy: 0.40643082359162735
Energy: 0.40705450303058033
Energy: 0.40529247215282893
Energy: 0.40361647191723266
Energy: 0.4043484638978477
Energy: 0.4029782410826642
Energy: 0.43014775336340416
Energy: 0.404566950757482
Energy: 0.44439240554159065
Energy: 0.4879589470672508
Energy: 0.48786502675109805
Energy: 0.39576866220994406
Energy: 0.4883066640821754
Energy: 0.44795163893976114
Energy: 0.43324501077647287
Energy: 0.4775562546794023
Energy: 0.4764956153881469
Energy: 0.40566281436526486
Energy: 0.47781816576905406
Energy: 0.47609460570482154
Energy: 0.5019470694320264
Energy: 0.48955933748641045
Energy: 0.4231808367587102
Energy: 0.48989570276933403
Energy: 0.5031809162625352
Energy: 0.42301982560454937
Energy: 0.5038134564335526
Energy: 0.47877168137840964
Energy: 0.48890421251009014
Energy: 0.4816642266521107
Energy: 0.48028262232355784
Energy: 0.4922418502923263
Energy: 0.4695944625424854
Energy: 0.49879105435237475
Energy: 0.43042296120628754
Energy: 0.4916159965032093
Energy: 0.4997526052662898
Energy: 0.43119693291165534
Energy: 0.4248598569909361
Energy: 0.47724428743956304
Energy: 0.5138944176074892
Energy: 0.426041016763394
Energy: 0.47769269800345265
Energy: 0.4743243013912128

minimum gb energy = 0.3887961577538894 eV
minimum distance =  2.61988052701195 Angstroms
sigma value = 17


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

Energy: 0.4088575490737167
Energy: 0.5162808900475696
Energy: 0.4327150034876951
Energy: 0.4086070324497878
Energy: 0.6537116755147862
Energy: 0.4329576635437057
Energy: 0.45453827875181224
Energy: 0.38563257146842045
Energy: 0.3859055537054173
Energy: 0.5024867894693968
Energy: 0.45027015670737786
Energy: 0.40745508000210173
Energy: 0.5979627868872099
Energy: 0.3700413520806808
Energy: 0.40048853846088395
Energy: 0.4774390010851885
Energy: 0.3698693956206414
Energy: 0.4017214307085186
Energy: 0.49759522064017997
Energy: 0.40144288876226203
Energy: 0.4016808453249316
Energy: 0.49820727149314836
Energy: 0.3740888679629725
Energy: 0.4279711847992411
Energy: 0.432881693679197
Energy: 0.38929125575956364
Energy: 0.3861151353436685
Energy: 0.4333049658738906
Energy: 0.3886385097461438
Energy: 0.38685574373317494
Energy: 0.3941400151609169
Energy: 0.3827488846761416
Energy: 0.36754997263342337
Energy: 0.3686745297629488
Energy: 0.4273058820387467
Energy: 0.36806171748370115
Energy: 0.39953954121182295
Energy: 0.4322115229225044
Energy: 0.42762049505422633
Energy: 0.3671214364924349
Energy: 0.4296112818187793
Energy: 0.3636371842513828
Energy: 0.4125867597154237
Energy: 0.3596165320873527
Energy: 0.3616432716244764
Energy: 0.36666404352239323
Energy: 0.3594916644155022
Energy: 0.3611751298810622
Energy: 0.40048888490201157
Energy: 0.36616586172316334
Energy: 0.36565094548620247
Energy: 0.40140460542780576
Energy: 0.3619879925290499
Energy: 0.3997767053429499
Energy: 0.39956953912004617
Energy: 0.3610958201024886
Energy: 0.361132954951614
Energy: 0.39973145595370957
Energy: 0.3609120328734189
Energy: 0.36089222803818943
Energy: 0.41198827442972247
Energy: 0.3598643430656544
Energy: 0.3602420516162926
Energy: 0.3598640739813904
Energy: 0.3998565868745792
Energy: 0.360116092626857
Energy: 0.4017097673403731
Energy: 0.4057387215273583
Energy: 0.39997943317802126
Energy: 0.4063936870798494
Energy: 0.4032725549571264
Energy: 0.36638161743058223
Energy: 0.4118008905447463
Energy: 0.3613703120387281
Energy: 0.36235505885282354
Energy: 0.3627289069363455
Energy: 0.36911788274812124
Energy: 0.3621375874270065
Energy: 0.42710808252411847
Energy: 0.36367145841441934
Energy: 0.3634481854526081
Energy: 0.4280369299701411
Energy: 0.3667940947414981
Energy: 0.42720514566847945
Energy: 0.42715881082939244
Energy: 0.3682764593678811
Energy: 0.3685035376544847
Energy: 0.42735732752818206
Energy: 0.36954721067790874
Energy: 0.383965645040996
Energy: 0.49791988835598805
Energy: 0.38887789538277684
Energy: 0.38647478180685313
Energy: 0.41187096702228787
Energy: 0.4190572184740548
Energy: 0.3859737283257603
Energy: 0.40043587937315156
Energy: 0.4956532846991758
Energy: 0.4751849664963363
Energy: 0.3858085351166328
Energy: 0.5001549057318809
Energy: 0.3857934405364223
Energy: 0.400580620935111
Energy: 0.4472583946032051
Energy: 0.44527407362512883
Energy: 0.42525445426258096
Energy: 0.47864553641630836
Energy: 0.3858067751143185
Energy: 0.55410184682175
Energy: 0.4481895975120225
Energy: 0.4082577658866496
Energy: 0.3883885999213779
Energy: 0.4189320130915662
Energy: 0.3864454618309656
Energy: 0.6001605605775755
Energy: 0.4008916571920833
Energy: 0.40179227222189534
Energy: 0.45152236886259056
Energy: 0.38940989406304843
Energy: 0.44982385297873273
Energy: 0.5906699680123391
Energy: 0.43956391201922673
Energy: 0.40727652285203714
Energy: 0.49859126574790247
Energy: 0.43929085366062
Energy: 0.3856959839976922
Energy: 0.4066340942106435
Energy: 0.4798110431268119
Energy: 0.49689572180101266
Energy: 0.39761739807430174
Energy: 0.47963535851080924
Energy: 0.4053466621085558
Energy: 0.40795190307988005
Energy: 0.4757722280470467
Energy: 0.388028189672511
Energy: 0.3929325525279825
Energy: 0.47825185052014835
Energy: 0.4300508860572937
Energy: 0.5912679921043068
Energy: 0.3945567525116745
Energy: 0.38584832916392703
Energy: 0.49686600650771373
Energy: 0.3676487122316318
Energy: 0.47586425414676875
Energy: 0.49631571452458195
Energy: 0.3705935196027268
Energy: 0.400862137334178
Energy: 0.4962981453024636
Energy: 0.3714287643850858
Energy: 0.4012087176430443
Energy: 0.43370057775761367
Energy: 0.3868558595218691
Energy: 0.384697619071213
Energy: 0.4212053306346154
Energy: 0.38696955229666363
Energy: 0.38710010130455347
Energy: 0.3936104443978981
Energy: 0.3902161863312104
Energy: 0.39582625162867136
Energy: 0.36887244803505453
Energy: 0.3899102695886164
Energy: 0.3678454959071066
Energy: 0.3976938126438539
Energy: 0.4316021237278591
Energy: 0.4266144371458183
Energy: 0.3973166205710453
Energy: 0.4288869856888864
Energy: 0.42650834980372987
Energy: 0.40936457725000336
Energy: 0.3650942284822324
Energy: 0.36510938590186354
Energy: 0.3651482443124882
Energy: 0.42816202347877563
Energy: 0.36624743976111623
Energy: 0.40568045822076226
Energy: 0.358524362870155
Energy: 0.36278395830129295
Energy: 0.4060159240160075
Energy: 0.35872206404156076
Energy: 0.36190956903942784
Energy: 0.40346919262684083
Energy: 0.358729469273689
Energy: 0.359607815364182
Energy: 0.40425251739479695
Energy: 0.3590872102285528
Energy: 0.3591014153990239
Energy: 0.41049752696408526
Energy: 0.3591834838017744
Energy: 0.3607449428776194
Energy: 0.3915663111251709
Energy: 0.35856173171940703
Energy: 0.3609313779261741
Energy: 0.40504181876780043
Energy: 0.4040149118766953
Energy: 0.39912991764806643
Energy: 0.3910032325367284
Energy: 0.40104756529972174
Energy: 0.3996052323996218
Energy: 0.40080056993098034
Energy: 0.3673076344579023
Energy: 0.3631308416820933
Energy: 0.3656932543723305
Energy: 0.36635333217188387
Energy: 0.36364359139105545
Energy: 0.43237523090488
Energy: 0.36399272147543926
Energy: 0.3636602856342083
Energy: 0.43169849339678756
Energy: 0.3639309548705918
Energy: 0.36367756476439905
Energy: 0.43203546288996786
Energy: 0.3642569302363724
Energy: 0.3841388374940806
Energy: 0.43281451115774133
Energy: 0.36386384055509197
Energy: 0.38394625938512894
Energy: 0.5552559313588817
Energy: 0.3835538995063245
Energy: 0.38344587576349587
Energy: 0.4143833614147368
Energy: 0.37242589395671266
Energy: 0.38306381001090084
Energy: 0.403970414721086
Energy: 0.41188702748664063
Energy: 0.41217054793270597
Energy: 0.402904126141413
Energy: 0.49720722761637104
Energy: 0.41282133339110727
Energy: 0.40081007402629776
Energy: 0.45535676730379676
Energy: 0.39799252550667075
Energy: 0.3864700587503837
Energy: 0.45450500148545697
Energy: 0.3977924014140147
Energy: 0.42680916424294657
Energy: 0.4398020506667219
Energy: 0.4480753150880497
Energy: 0.394115634157932
Energy: 0.44076408591411037
Energy: 0.40493245433750213
Energy: 0.5575359131722102
Energy: 0.39022736822189324
Energy: 0.45052312708998926
Energy: 0.4797729051776337
Energy: 0.39004489845668
Energy: 0.4537395339304124
Energy: 0.5903265394886206
Energy: 0.43309327601614483
Energy: 0.38596723949964684
Energy: 0.49908255918290306
Energy: 0.40768766847270554
Energy: 0.4520821875029234
Energy: 0.4083543582825603
Energy: 0.4430363276515398
Energy: 0.4453827213027858
Energy: 0.39454702298555594
Energy: 0.4534779180556901
Energy: 0.42957093807044283

minimum gb energy = 0.358524362870155 eV
minimum distance =  2.67077444436733 Angstroms
sigma value = 57


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

Energy: 0.3733261882971559
Energy: 0.4548948425943744
Energy: 0.40677098982240734
Energy: 0.35580842358554227
Energy: 0.5696430293021483
Energy: 0.4075428345013542
Energy: 0.4946025659456793
Energy: 0.3687368921007885
Energy: 0.3668121289416113
Energy: 0.4174768652584182
Energy: 0.3687975824042779
Energy: 0.3676212486068141
Energy: 0.5653750638659576
Energy: 0.35183379257863157
Energy: 0.35185910357831907
Energy: 0.43048584518117766
Energy: 0.3509258963100238
Energy: 0.37784014290169826
Energy: 0.482364592941471
Energy: 0.35142907844790255
Energy: 0.3803217823781527
Energy: 0.40038152298517
Energy: 0.35362731578406276
Energy: 0.4141044611293655
Energy: 0.411091141887164
Energy: 0.3693154184618517
Energy: 0.37027019216964224
Energy: 0.4119206185855216
Energy: 0.36888335635329345
Energy: 0.36809045778918736
Energy: 0.36543424666560453
Energy: 0.36366019736766975
Energy: 0.34974006982700734
Energy: 0.33852766853920496
Energy: 0.42520045895565034
Energy: 0.3505254922062205
Energy: 0.3934461801321247
Energy: 0.42054880546425394
Energy: 0.39083162219164463
Energy: 0.34434633405660364
Energy: 0.41862073866977906
Energy: 0.34335945032897
Energy: 0.5038334392528351
Energy: 0.3353642547025211
Energy: 0.3438566287967663
Energy: 0.3734095612148593
Energy: 0.33547271708293663
Energy: 0.35279422925221804
Energy: 0.3850862730728115
Energy: 0.3698090728473837
Energy: 0.34801079356717524
Energy: 0.3853858003970867
Energy: 0.371378141075989
Energy: 0.3920208647342257
Energy: 0.3919480400507511
Energy: 0.33438606628694845
Energy: 0.33442085279168143
Energy: 0.3925607635964437
Energy: 0.3340748159262286
Energy: 0.3342443288112484
Energy: 0.37195818071582154
Energy: 0.37014010254419966
Energy: 0.34017431025820255
Energy: 0.3307031443377914
Energy: 0.377538268929489
Energy: 0.3322744918303769
Energy: 0.38600382471618316
Energy: 0.3742849869828214
Energy: 0.37672965315084816
Energy: 0.3565064829664876
Energy: 0.37180867999234024
Energy: 0.33390970138341436
Energy: 0.37656262623049114
Energy: 0.37553908169569566
Energy: 0.33504458279301413
Energy: 0.33596596728740974
Energy: 0.378969732879921
Energy: 0.33649259775913726
Energy: 0.3693979660759344
Energy: 0.3331623692195579
Energy: 0.3535427722883926
Energy: 0.37038167215286627
Energy: 0.3602089632206201
Energy: 0.37700158286013996
Energy: 0.36869271246592017
Energy: 0.3333513093655618
Energy: 0.3327364056393861
Energy: 0.3692363562380583
Energy: 0.3347242803318197
Energy: 0.33218133829543517
Energy: 0.3922204555109302
Energy: 0.39062057858412685
Energy: 0.33622174598690485
Energy: 0.33719860469360285
Energy: 0.39021061250798644
Energy: 0.3360785749121762
Energy: 0.3698368902614642
Energy: 0.3899535016240537
Energy: 0.38370001081554805
Energy: 0.33863675021776646
Energy: 0.3879548168518584
Energy: 0.34593027316606173
Energy: 0.3703403834272685
Energy: 0.3502192715832239
Energy: 0.3502080087681992
Energy: 0.3709808642585942
Energy: 0.35052085740895517
Energy: 0.3495652393864171
Energy: 0.41629997064895125
Energy: 0.3438807839696839
Energy: 0.38026799495958113
Energy: 0.4171492046085024
Energy: 0.3486008992615844
Energy: 0.423783154941689
Energy: 0.47341601069449457
Energy: 0.35263480405000763
Energy: 0.35336540211010964
Energy: 0.36733048917604677
Energy: 0.37000720282312877
Energy: 0.36787079574723225
Energy: 0.5276161847599138
Energy: 0.37269863681416154
Energy: 0.3694793164516076
Energy: 0.3711064361040356
Energy: 0.39741783709130596
Energy: 0.366468936586558
Energy: 0.3694444542782424
Energy: 0.45300734372176527
Energy: 0.36664896498974
Energy: 0.3444658068238166
Energy: 0.48564208750108345
Energy: 0.36628897365954344
Energy: 0.38584443561668796
Energy: 0.4288947886873784
Energy: 0.41952151929140463
Energy: 0.3684455747252667
Energy: 0.41598912373160546
Energy: 0.4206936794744677
Energy: 0.5246661283860148
Energy: 0.36835881794570347
Energy: 0.36902847391148064
Energy: 0.39871161713253067
Energy: 0.3742233691676961
Energy: 0.36863010696030535
Energy: 0.568259865073048
Energy: 0.3681429935009701
Energy: 0.3672146699531965
Energy: 0.4255543467549371
Energy: 0.3681516679792138
Energy: 0.4327582044538635
Energy: 0.5304479685029357
Energy: 0.41219776038890915
Energy: 0.36600484718652304
Energy: 0.4123873339208115
Energy: 0.411523667609596
Energy: 0.38544543894472366
Energy: 0.3726193849948194
Energy: 0.41237351500050334
Energy: 0.38115303105198817
Energy: 0.3535209510042445
Energy: 0.4248305552898774
Energy: 0.38180428117178977

minimum gb energy = 0.3307031443377914 eV
minimum distance =  2.70731192859218 Angstroms
sigma value = 43


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

Energy: 0.32016828389591445
Energy: 0.3696242877556069
Energy: 0.36363373293456597
Energy: 0.305264547087858
Energy: 0.39316033976506143
Energy: 0.3434087903925805
Energy: 0.45840241056973996
Energy: 0.30702748539941377
Energy: 0.3069736868784522
Energy: 0.3077490181145442
Energy: 0.3065394847094821
Energy: 0.30385360550489565
Energy: 0.474069199226201
Energy: 0.2954096470860754
Energy: 0.3058601747311325
Energy: 0.3364251505142489
Energy: 0.2944593340892299
Energy: 0.30594386878431173
Energy: 0.4152820469302097
Energy: 0.3055855658308148
Energy: 0.30586495142787407
Energy: 0.3446468721925561
Energy: 0.3589532829721296
Energy: 0.3186367088576544
Energy: 0.3665323000980942
Energy: 0.30660953669097224
Energy: 0.3066194959192875
Energy: 0.33906163244434395
Energy: 0.30679069283361843
Energy: 0.3035145330605389
Energy: 0.30979096154818553
Energy: 0.30321930529026897
Energy: 0.2977011072028017
Energy: 0.2883263251742382
Energy: 0.36629294735609014
Energy: 0.30925472496650314
Energy: 0.43845000398481654
Energy: 0.36670618601951926
Energy: 0.3410787177712883
Energy: 0.2900061621594192
Energy: 0.3705806803470135
Energy: 0.2893792502379724
Energy: 0.434642947695514
Energy: 0.2817343709819962
Energy: 0.286353587212208
Energy: 0.3077994203232366
Energy: 0.281154851449457
Energy: 0.28622880451982935
Energy: 0.33987015199976955
Energy: 0.28526871169307066
Energy: 0.28961748205874555
Energy: 0.3407550636425918
Energy: 0.2776182703164441
Energy: 0.31552318665789797
Energy: 0.3290480741421935
Energy: 0.2810871658654391
Energy: 0.28085176116406874
Energy: 0.33941125469479316
Energy: 0.28095234122689167
Energy: 0.2803460435804038
Energy: 0.3066558897529864
Energy: 0.3217048157890123
Energy: 0.27879370951707916
Energy: 0.27894095046254
Energy: 0.3219914404866279
Energy: 0.2782371315732061
Energy: 0.3417486669500616
Energy: 0.3216362143929511
Energy: 0.3219238222575341
Energy: 0.2780985932708251
Energy: 0.32613433498813504
Energy: 0.27773926758289785
Energy: 0.41555022067951874
Energy: 0.3034371464153733
Energy: 0.30684449590005475
Energy: 0.2976399920964534
Energy: 0.30261274240656283
Energy: 0.30732915405336936
Energy: 0.3119905369702701
Energy: 0.2976727922497198
Energy: 0.31542487472727404
Energy: 0.31297695415614063
Energy: 0.2728900935389219
Energy: 0.3119100820463669
Energy: 0.31194406777071093
Energy: 0.27522336969126643
Energy: 0.2750997842962194
Energy: 0.3136346062510201
Energy: 0.2750338503604786
Energy: 0.27493566073370623
Energy: 0.30830658710206854
Energy: 0.30782648857724887
Energy: 0.28863812930461596
Energy: 0.27288633234094856
Energy: 0.30771673964201257
Energy: 0.27283009061900876
Energy: 0.3137195591406627
Energy: 0.3076017045777318
Energy: 0.30960419193463834
Energy: 0.27431087614670774
Energy: 0.30751902086378413
Energy: 0.275919194136261
Energy: 0.3074626435637402
Energy: 0.30223228870386193
Energy: 0.2754493519107382
Energy: 0.31406517348685475
Energy: 0.3009445793410908
Energy: 0.27636043239332364
Energy: 0.30747531785480964
Energy: 0.29646340781420777
Energy: 0.30781623636029265
Energy: 0.3082734395231982
Energy: 0.2963982282288913
Energy: 0.3075095777298464
Energy: 0.3075870784914175
Energy: 0.30206479923416973
Energy: 0.2777064432185642
Energy: 0.3135153736759072
Energy: 0.3027397976928122
Energy: 0.2788386372422784
Energy: 0.32343977549363506
Energy: 0.3120120428071408
Energy: 0.3154685114486512
Energy: 0.27727929790200184
Energy: 0.3119434211488599
Energy: 0.27820538883320306
Energy: 0.3102583517326047
Energy: 0.3121127997631159
Energy: 0.2762109903465522
Energy: 0.2745863758508593
Energy: 0.3121813598962952
Energy: 0.27487161667450666
Energy: 0.3215419925852309
Energy: 0.27561091541031596
Energy: 0.2766712217970411
Energy: 0.323244497054981
Energy: 0.2747672914722696
Energy: 0.2756998217259875
Energy: 0.3218783079004823
Energy: 0.3069294452352085
Energy: 0.32359696305680763
Energy: 0.32266902376830764
Energy: 0.2823731395423441
Energy: 0.32142133922930055
Energy: 0.4235083552059415
Energy: 0.2937748498768276
Energy: 0.29720227986617276
Energy: 0.3165944972829563
Energy: 0.2937405022635679
Energy: 0.31626326394388515
Energy: 0.39064765917515637
Energy: 0.33849551295645314
Energy: 0.3153373677675163
Energy: 0.2801513276267714
Energy: 0.34337590455035966
Energy: 0.2798089245248363
Energy: 0.30831832222023
Energy: 0.33844451481137644
Energy: 0.28770584926053605
Energy: 0.28071632632857524
Energy: 0.3382426967387586
Energy: 0.2842730336760876
Energy: 0.3477867418730191
Energy: 0.2899459223468302
Energy: 0.29004395745208306
Energy: 0.3314566282896622
Energy: 0.2899037947963131
Energy: 0.28979108317942265
Energy: 0.3683996268828887
Energy: 0.2944821766563332
Energy: 0.3065795420628453
Energy: 0.3693211971496562
Energy: 0.29218946438739835
Energy: 0.3037167701688236
Energy: 0.45094206660782093
Energy: 0.2884091264387232
Energy: 0.2956990504969499
Energy: 0.3031808064161411
Energy: 0.2879961580184046
Energy: 0.2939153284241272
Energy: 0.4493306743261114
Energy: 0.34251037197560363
Energy: 0.31440981372869353
Energy: 0.3096211476687965
Energy: 0.3424374062998938
Energy: 0.30597682118568986
Energy: 0.31424913947652616
Energy: 0.35085890610899656
Energy: 0.31192227165773867
Energy: 0.29420212385735733
Energy: 0.37562594225296314
Energy: 0.3025198372383129
Energy: 0.41314050580147293
Energy: 0.3361906510551276
Energy: 0.33679145695420415
Energy: 0.34702838813938486
Energy: 0.3356461156337762
Energy: 0.33233095037110316
Energy: 0.4509972669959643
Energy: 0.3213460391634366
Energy: 0.321238299214419
Energy: 0.32076588707487036
Energy: 0.33257705337707266
Energy: 0.34504487382138715
Energy: 0.47392802625386105
Energy: 0.30660946266465455
Energy: 0.3217047950350134
Energy: 0.3351314960050398
Energy: 0.3060288310450263
Energy: 0.32128908769441394
Energy: 0.45840263014327093
Energy: 0.3356500091464914
Energy: 0.33598955370949507
Energy: 0.3074590955740239
Energy: 0.3354285227928372
Energy: 0.30405556316684446

minimum gb energy = 0.27283009061900876 eV
minimum distance =  2.70683322840619 Angstroms
sigma value = 81


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

Energy: 0.014738031027297867
Energy: 0.03457521326635615
Energy: 0.015364528950857855
Energy: 0.016623071280826858
Energy: 0.06757683582499958
Energy: 0.015415659363937033
Energy: 0.03417986224293134
Energy: 0.01584634220333684
Energy: 0.015513629961168344
Energy: 0.034589521181694664
Energy: 0.017496023702425836
Energy: 0.01571523202492487
Energy: 0.03353124185393321
Energy: 0.01530692508685235
Energy: 0.01540480175262873
Energy: 0.03377446605975472
Energy: 0.015295604568665928
Energy: 0.033690225716580154
Energy: 0.017385168902363697
Energy: 0.015286272638072163
Energy: 0.015608877809124384
Energy: 0.017887381458019696
Energy: 0.015244489574541508
Energy: 0.033913260522199576
Energy: 0.033778729258667185
Energy: 0.033813276730569775
Energy: 0.03507465404574211
Energy: 0.03421955495591583
Energy: 0.03359050761008624
Energy: 0.035488410149634074
Energy: 0.015633276103219778
Energy: 0.015867055945763063
Energy: 0.015467794510778524
Energy: 0.01661630575236841
Energy: 0.015574823076527055
Energy: 0.015248074058066087
Energy: 0.03500157412257596
Energy: 0.01564419781674617
Energy: 0.015482166200934252
Energy: 0.03528634473036705
Energy: 0.018791906007712345
Energy: 0.015723819127737577
Energy: 0.03550845779409905
Energy: 0.015402438907008362
Energy: 0.015562400004712797
Energy: 0.03377630461040534
Energy: 0.015124091602183799
Energy: 0.03449123285784397
Energy: 0.01619790552462458
Energy: 0.01539373239671949
Energy: 0.03499278278993646
Energy: 0.017284291371808657
Energy: 0.01536205079044607
Energy: 0.03471658528862568
Energy: 0.01564165829228058
Energy: 0.03376838161900599
Energy: 0.03429223957105705
Energy: 0.015556035968570792
Energy: 0.03368308367764542
Energy: 0.03397112760776384

minimum gb energy = 0.014738031027297867 eV
minimum distance =  2.85728732503244 Angstroms
sigma value = 3


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

Energy: 0.3574879690489142
Energy: 0.37585839303907853
Energy: 0.3531958146015661
Energy: 0.30385997800297626
Energy: 0.3566759687958664
Energy: 0.33233774947988376
Energy: 0.3690057660072502
Energy: 0.3788452495378652
Energy: 0.3803671612605825
Energy: 0.36292990413964504
Energy: 0.36213426795497045
Energy: 0.37717802306056536
Energy: 0.36893720334149444
Energy: 0.3389020441199191
Energy: 0.3388094234200291
Energy: 0.3806937389462917
Energy: 0.34006643645574663
Energy: 0.3518620338276905
Energy: 0.3555898261086774
Energy: 0.3392831763898135
Energy: 0.33900973130917633
Energy: 0.35582824973175387
Energy: 0.3127048181471125
Energy: 0.3536182404531468
Energy: 0.3208177984831169
Energy: 0.3819044585076742
Energy: 0.3798877129938735
Energy: 0.3206549714732246
Energy: 0.3602738391465054
Energy: 0.3808389149123675
Energy: 0.3413974767485212
Energy: 0.3589502548627455
Energy: 0.34708735899974025
Energy: 0.2993353783907133
Energy: 0.35943552231393133
Energy: 0.32807309704750875
Energy: 0.3536514163739347
Energy: 0.33264631740109024
Energy: 0.3287574397644577
Energy: 0.35650584025498966
Energy: 0.33254443961716035
Energy: 0.35814597860774483
Energy: 0.35184833296756296
Energy: 0.33622072220248345
Energy: 0.3359832633648861
Energy: 0.35182515170051265
Energy: 0.28506327274475207
Energy: 0.3272450530521991
Energy: 0.32142353298667026
Energy: 0.3367378849488935
Energy: 0.34787496336884716
Energy: 0.3562004791950312
Energy: 0.3015691888897502
Energy: 0.34842227236581896
Energy: 0.32919283086726636
Energy: 0.33073788163822404
Energy: 0.326918904248201
Energy: 0.3292591949446325
Energy: 0.3311121769358134
Energy: 0.3331582882369455
Energy: 0.3423836562045725
Energy: 0.3411984427247421
Energy: 0.34137089952617816
Energy: 0.29110088422609043
Energy: 0.34787897399396267
Energy: 0.32478263309700145
Energy: 0.31074431524911866
Energy: 0.345831878715282
Energy: 0.3465869828306977
Energy: 0.30853382444262345
Energy: 0.3496260610429527
Energy: 0.30543769930384534
Energy: 0.30654178442479324
Energy: 0.3172710596976749
Energy: 0.3287848216440094
Energy: 0.30653117521417184
Energy: 0.28429071813604934
Energy: 0.31819471967360713
Energy: 0.3455125815027063
Energy: 0.3141384816435887
Energy: 0.3318394904531147
Energy: 0.308305368755779
Energy: 0.2916548781442968
Energy: 0.3312175117768929
Energy: 0.3424235436764565
Energy: 0.2924320000788813
Energy: 0.2907273908186473
Energy: 0.34048107015340473
Energy: 0.2949671710182047
Energy: 0.29067463600991356
Energy: 0.3378076614582415
Energy: 0.32360222252796633
Energy: 0.32283756154705245
Energy: 0.28501628090991454
Energy: 0.3359349086279058
Energy: 0.3228136848737603
Energy: 0.2882601660337121
Energy: 0.3230124514380008
Energy: 0.3211627952393106
Energy: 0.28305157768394096
Energy: 0.3245974483097623
Energy: 0.2824680023983647
Energy: 0.28308812024246127
Energy: 0.31793168740613204
Energy: 0.3180447618733028
Energy: 0.2830977461652295
Energy: 0.2862176708145477
Energy: 0.3187744758031214
Energy: 0.3329858594247603
Energy: 0.29812168239564996
Energy: 0.317667712666478
Energy: 0.2854055951356719
Energy: 0.30794672322804834
Energy: 0.31774285734663393
Energy: 0.3369666819149658
Energy: 0.28290396924855343
Energy: 0.28257922459613055
Energy: 0.3372308582008805
Energy: 0.2874513957354631
Energy: 0.2826760779830873
Energy: 0.3365148013700266
Energy: 0.324025620496647
Energy: 0.3228874181559065
Energy: 0.323201768800174
Energy: 0.3212512056402223
Energy: 0.32180451096520324
Energy: 0.2953408637061334
Energy: 0.3243666711353718
Energy: 0.307315964043411
Energy: 0.29370707197944
Energy: 0.31994827672369425
Energy: 0.2906109898563971
Energy: 0.2906582686660065
Energy: 0.3315250391861636
Energy: 0.3317940384283946
Energy: 0.2906387552261222
Energy: 0.33204018891103043
Energy: 0.32894588135584535
Energy: 0.34015764870973225
Energy: 0.30637878564052773
Energy: 0.32206903637183715
Energy: 0.2864529641449034
Energy: 0.3062225304944388
Energy: 0.32171321657211643
Energy: 0.35100978552026135
Energy: 0.30599377112128984
Energy: 0.30557195366890255
Energy: 0.35150070891311586
Energy: 0.31104979501338326
Energy: 0.3056670274726701
Energy: 0.35163420719237615
Energy: 0.33187371292869927
Energy: 0.3322571278347424
Energy: 0.3512477596015768
Energy: 0.3169267315201901
Energy: 0.3415456926029867
Energy: 0.33041595360416653
Energy: 0.3320229793607377
Energy: 0.3362281036434697
Energy: 0.3303726307452818
Energy: 0.35251102284104313
Energy: 0.33335930262058594
Energy: 0.31280298702682036
Energy: 0.328212719548584
Energy: 0.32828593129203304
Energy: 0.31278148331600547
Energy: 0.3280511586312696
Energy: 0.3281749715187753
Energy: 0.34356105354801214
Energy: 0.35183468217023206
Energy: 0.3471328202878411
Energy: 0.29440330557617284
Energy: 0.35216685731017566
Energy: 0.32687710678759185
Energy: 0.33344616331142723
Energy: 0.3508677364689069
Energy: 0.34829443215383993
Energy: 0.32797665684850497
Energy: 0.35791395883560667
Energy: 0.35549804625642645
Energy: 0.35113101096949745
Energy: 0.3388402802161425
Energy: 0.33883084653730955
Energy: 0.3510361488412245
Energy: 0.2908718312287578
Energy: 0.33894693158253136
Energy: 0.37096214147245676
Energy: 0.34029959292513906
Energy: 0.35491727756335456
Energy: 0.381544891256328
Energy: 0.3072880462725309
Energy: 0.3512314309818359
Energy: 0.32858137228167106
Energy: 0.3513067093095997
Energy: 0.350791624697229
Energy: 0.32821185867735386
Energy: 0.3561634352427377
Energy: 0.36660709831125826

minimum gb energy = 0.2824680023983647 eV
minimum distance =  2.58620015166545 Angstroms
sigma value = 67


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

Energy: 0.4392348500526093
Energy: 0.43703863388986247
Energy: 0.4333645331942898
Energy: 0.3776742395272179
Energy: 0.508811241025376
Energy: 0.43585525739040964
Energy: 0.44132494377428877
Energy: 0.43558547377545603
Energy: 0.43995170988123367
Energy: 0.43866576425597675
Energy: 0.43817957870701146
Energy: 0.4417767931165188
Energy: 0.45643849262899466
Energy: 0.4098320582928988
Energy: 0.42095137306573643
Energy: 0.4374270944753273
Energy: 0.38872776230187733
Energy: 0.42978322233367955
Energy: 0.42514531374604975
Energy: 0.42825537943568576
Energy: 0.42119205409516597
Energy: 0.4259385250481697
Energy: 0.4174495060852626
Energy: 0.43056849015186077
Energy: 0.4170498298852029
Energy: 0.43902797543717026
Energy: 0.43809382148667564
Energy: 0.41754819425716644
Energy: 0.43837035531891716
Energy: 0.4390558072688543
Energy: 0.4162894215176318
Energy: 0.4271092328156089
Energy: 0.41934060797890066
Energy: 0.3909697878987449
Energy: 0.42622544632865283
Energy: 0.41904885198178976
Energy: 0.4277643922055791
Energy: 0.39063036622961245
Energy: 0.4277013242046738
Energy: 0.42963978484914905
Energy: 0.42415968164392676
Energy: 0.41898740031543114
Energy: 0.42448672411081895
Energy: 0.37499033405304893
Energy: 0.4144743834675723
Energy: 0.42458053205321156
Energy: 0.37287035775429683
Energy: 0.4192009894059799
Energy: 0.4313392404350717
Energy: 0.4282538921060916
Energy: 0.4302135854488491
Energy: 0.4294054362795397
Energy: 0.3906723968821705
Energy: 0.4308753520935897
Energy: 0.4361690659076903
Energy: 0.394599602289508
Energy: 0.3957270354775074
Energy: 0.43631008249206815
Energy: 0.39210759840956627
Energy: 0.4033813244636109
Energy: 0.42488805019682097
Energy: 0.41510989297425155
Energy: 0.41494257504728915
Energy: 0.37370965522149435
Energy: 0.4214958957901521
Energy: 0.41604315475569004
Energy: 0.37691377950530985
Energy: 0.41245571979805734
Energy: 0.4135964919276739
Energy: 0.3773353862585783
Energy: 0.39420952682633686
Energy: 0.37292789351331035
Energy: 0.37936675233072864
Energy: 0.37683534704119154
Energy: 0.40927796421105356
Energy: 0.3798289448399587
Energy: 0.3739890474333024
Energy: 0.3730546399786504
Energy: 0.4247924423004713
Energy: 0.4092425671207052
Energy: 0.4087346790129261
Energy: 0.3730610135823955
Energy: 0.39899763342675104
Energy: 0.4084396150635686
Energy: 0.42165922201986566
Energy: 0.3760532920029828
Energy: 0.3777124203491145
Energy: 0.4220355143184426
Energy: 0.3735756926703281
Energy: 0.373473674600639
Energy: 0.42215992152643167
Energy: 0.41628293482895856
Energy: 0.41510264793544255
Energy: 0.3928773811703682
Energy: 0.40456720815060226
Energy: 0.4130594496440375
Energy: 0.3947940985901936
Energy: 0.3709796142525194
Energy: 0.40714972457674475
Energy: 0.39551325544121657
Energy: 0.3681771231779225
Energy: 0.39204872948801667
Energy: 0.3966100744769222
Energy: 0.43166780469996413
Energy: 0.4318479325870524
Energy: 0.39728073585521095
Energy: 0.3930169383079031
Energy: 0.39023222919994605
Energy: 0.41572218282629336
Energy: 0.428663386507951
Energy: 0.4175593653654292
Energy: 0.3798137770663422
Energy: 0.4284809047184448
Energy: 0.417325393087081
Energy: 0.38916833906900355
Energy: 0.4243695154481185
Energy: 0.42488364426980085
Energy: 0.39105864786847394
Energy: 0.4249745504584828
Energy: 0.43213774762195883
Energy: 0.42358151734504734
Energy: 0.4292108647702102
Energy: 0.4347608383240044
Energy: 0.42234743370295036
Energy: 0.4121434673760752
Energy: 0.4350062084893694
Energy: 0.4561395821851996
Energy: 0.3981179553610824
Energy: 0.43537205947244256
Energy: 0.4376513971949444
Energy: 0.3765727969870896
Energy: 0.4349916850047952
Energy: 0.42971633889029875
Energy: 0.42089631056681653
Energy: 0.42765688397454427
Energy: 0.4403834844497314
Energy: 0.42576397871125926
Energy: 0.41785900804905013

minimum gb energy = 0.3681771231779225 eV
minimum distance =  2.6325247278618 Angstroms
sigma value = 33


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

Energy: 0.5111172047499115
Energy: 0.507633242489596
Energy: 0.5102493461384316
Energy: 0.4484581318522117
Energy: 0.5254857280204708
Energy: 0.4918996322752064
Energy: 0.4895408699253626
Energy: 0.46770036710623497
Energy: 0.4682791595552712
Energy: 0.46804379942691837
Energy: 0.46962597678615453
Energy: 0.46837491589258656
Energy: 0.5223801494632713
Energy: 0.4650442264280588
Energy: 0.4760154207761274
Energy: 0.4949550096200322
Energy: 0.46321550722012006
Energy: 0.4859583120910315
Energy: 0.47073138308220563
Energy: 0.46575662468144885
Energy: 0.4871982837560966
Energy: 0.471270206317722
Energy: 0.44960565808479463
Energy: 0.48639567544153656
Energy: 0.4679562711537907
Energy: 0.5123525436268317
Energy: 0.46733881892795154
Energy: 0.4684432381568098
Energy: 0.4715677703324352
Energy: 0.46884726068777455
Energy: 0.48335358478068136
Energy: 0.43176880415831426
Energy: 0.4953721015741567
Energy: 0.4333722066205821
Energy: 0.43146325997105
Energy: 0.46373625866403856
Energy: 0.46740605187438933
Energy: 0.46911735304903673
Energy: 0.47082284843667405
Energy: 0.46783606603084654
Energy: 0.46831982263787564
Energy: 0.467115511304395
Energy: 0.46871625264030414
Energy: 0.43676392824858484
Energy: 0.43258910341421003
Energy: 0.4686320678943192
Energy: 0.4339569028078047
Energy: 0.46670414109607355
Energy: 0.4806565928638939
Energy: 0.4619971580069153
Energy: 0.48076563017611595
Energy: 0.4368393445212459
Energy: 0.4315951429019672
Energy: 0.4788160176290932
Energy: 0.48231165549136634
Energy: 0.4357474515575216
Energy: 0.4313803741401621
Energy: 0.4822433836146002
Energy: 0.43284923212166165
Energy: 0.43131049273556676
Energy: 0.4554558502355513
Energy: 0.43353173486091506
Energy: 0.4679408508450519
Energy: 0.43317122273036823
Energy: 0.45733151823675816
Energy: 0.4678173080508209
Energy: 0.4313882304191349
Energy: 0.4321367752695192
Energy: 0.43190095895625735
Energy: 0.4313312697134077
Energy: 0.4444113844344025
Energy: 0.4314289970762625
Energy: 0.43184609733782314
Energy: 0.47849997897825913
Energy: 0.4517359594487327
Energy: 0.4316617504667614
Energy: 0.4675083278306229
Energy: 0.43140723178098467
Energy: 0.4197397754317221
Energy: 0.43646698822093977
Energy: 0.4780158053818022
Energy: 0.4221497587954073
Energy: 0.45652650514119175
Energy: 0.46695144366864616
Energy: 0.42151215657642815
Energy: 0.4669522955799477
Energy: 0.4699263524251207
Energy: 0.4216845967749944
Energy: 0.47042496725229976
Energy: 0.4670434057344759
Energy: 0.4630868547343829
Energy: 0.4703663630903438
Energy: 0.4905433945299457
Energy: 0.4656674102559893
Energy: 0.44077178438359893
Energy: 0.4713029073830582
Energy: 0.545965806419188
Energy: 0.4456606103925278
Energy: 0.44072230259729295
Energy: 0.4958699042678985
Energy: 0.443161438682187
Energy: 0.48636028686866994
Energy: 0.5233665628245384
Energy: 0.46782052708388827
Energy: 0.46920866969196207
Energy: 0.46857882485297125
Energy: 0.47091378127866435
Energy: 0.4955007107077552
Energy: 0.4756801841936061
Energy: 0.49592216891778573
Energy: 0.49121461850959514
Energy: 0.4436449640664179
Energy: 0.4954114808083679
Energy: 0.48018128170216795
Energy: 0.4893999424095681
Energy: 0.4364672364350063
Energy: 0.46815160554908863
Energy: 0.48766601423907485
Energy: 0.4718874048622017
Energy: 0.4688688748729039
Energy: 0.525209248240963
Energy: 0.4503518593251514
Energy: 0.45110035042707164
Energy: 0.5027055729402364
Energy: 0.47253606310246177
Energy: 0.46469391292307577
Energy: 0.4685708841633337
Energy: 0.4647638809456503
Energy: 0.47590735617989854
Energy: 0.4687583011421397
Energy: 0.4634225915079365
Energy: 0.4862213263432925
Energy: 0.46836321584680424
Energy: 0.46771668046723763
Energy: 0.46849464262511015
Energy: 0.4683263592295039
Energy: 0.4699822779451682
Energy: 0.46865157295831583
Energy: 0.4815448229563533
Energy: 0.43192331039818854
Energy: 0.4949683706968228
Energy: 0.4313445005268041
Energy: 0.43154616218652286
Energy: 0.4746514380354069
Energy: 0.4672440029977609
Energy: 0.468763807094334
Energy: 0.4704058546927566
Energy: 0.46646655207842874
Energy: 0.4679296998097677
Energy: 0.4671943945836834
Energy: 0.4725396163105482
Energy: 0.43607862189079655
Energy: 0.46551973199605484
Energy: 0.46950937468286447
Energy: 0.43347128013831937
Energy: 0.46682594181872966
Energy: 0.480339830664854
Energy: 0.4319448157974222
Energy: 0.4624037668957407
Energy: 0.4364484990810173
Energy: 0.4433673988837718
Energy: 0.47910478173795723
Energy: 0.4819089034868822
Energy: 0.43519387781263213
Energy: 0.4315072064473764
Energy: 0.4364090114434582
Energy: 0.43324591957829456
Energy: 0.43139318549242006
Energy: 0.4558257112843592
Energy: 0.4548280783672149
Energy: 0.4685103451683891
Energy: 0.43396206633561113
Energy: 0.4567129156431427
Energy: 0.43271520315065387
Energy: 0.4310778651746599
Energy: 0.4319872758251522
Energy: 0.43274455421407265
Energy: 0.43132025955264836
Energy: 0.4414380674509995
Energy: 0.43150216089676396
Energy: 0.4349041811298679
Energy: 0.4777138604800018
Energy: 0.4319834843619566
Energy: 0.43577316149336454
Energy: 0.4364729712325494
Energy: 0.4313503516235669
Energy: 0.42062624504205265
Energy: 0.4356569751559507
Energy: 0.4775526002750737
Energy: 0.4217907928353475
Energy: 0.45578673969119793
Energy: 0.46641822042998754
Energy: 0.4201317274642327
Energy: 0.46710652294290544
Energy: 0.46977636327285766
Energy: 0.4218035046332691
Energy: 0.4709706485707115
Energy: 0.467211313222148
Energy: 0.43776979879135663
Energy: 0.47421551007927387
Energy: 0.46639326219982497
Energy: 0.4665352738472212
Energy: 0.44060525579079185
Energy: 0.4708202623816596
Energy: 0.5468322637429991
Energy: 0.44073261990656626
Energy: 0.4419947077024959
Energy: 0.4993647338696168
Energy: 0.4223400265192697
Energy: 0.4867267870410926
Energy: 0.524410773794061
Energy: 0.4691337926454883
Energy: 0.467247611887523
Energy: 0.46830032045725695
Energy: 0.47159810050391254
Energy: 0.49531141458430084
Energy: 0.47788156672356213
Energy: 0.49683278651273394
Energy: 0.49133516968923463
Energy: 0.44206075194933947
Energy: 0.4958118345926792
Energy: 0.4794205128370568

minimum gb energy = 0.4197397754317221 eV
minimum distance =  2.67186132659177 Angstroms
sigma value = 41


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

Energy: 0.6001866530358553
Energy: 0.5694382221826411
Energy: 0.5954786111194106
Energy: 0.5057778161806119
Energy: 0.5317202868854792
Energy: 0.5040118700542482
Energy: 0.5456867578167762
Energy: 0.5327049296729408
Energy: 0.512032753000152
Energy: 0.5303089354744178
Energy: 0.5315266415501486
Energy: 0.5116240564303889
Energy: 0.5978435388562773
Energy: 0.501660910474669
Energy: 0.5006292239996032
Energy: 0.5295020137181072
Energy: 0.5040741442403972
Energy: 0.5003049034723284
Energy: 0.5328112162162768
Energy: 0.5018107238998689
Energy: 0.5006264713010256
Energy: 0.5326438574988708
Energy: 0.5032284597176306
Energy: 0.503163075380236
Energy: 0.5213706909779582
Energy: 0.5130487249080218
Energy: 0.5020410260269019
Energy: 0.5208783760788567
Energy: 0.5325617514994191
Energy: 0.5018957138658032
Energy: 0.5386654242175591
Energy: 0.5118968835995792
Energy: 0.5018040459866476
Energy: 0.5032210412472969
Energy: 0.5363691521520935
Energy: 0.5016504992121201
Energy: 0.520253651734048
Energy: 0.5124861912801114
Energy: 0.50257212437873
Energy: 0.5208568256874384
Energy: 0.5320321207959525
Energy: 0.5027994913507849
Energy: 0.5231238748591991
Energy: 0.5023567628618095
Energy: 0.5017958867404254
Energy: 0.5238373038483153
Energy: 0.5035880218426948
Energy: 0.5029723626483809
Energy: 0.5599697957376898
Energy: 0.5025713042710688
Energy: 0.5018096242517166
Energy: 0.4936841564446695
Energy: 0.5124766116423041
Energy: 0.5017244736182117
Energy: 0.5353780017552113
Energy: 0.5247705873724711
Energy: 0.502667414798684
Energy: 0.5048937505246349
Energy: 0.5210821525093573
Energy: 0.5013989575525614
Energy: 0.5300307129697576
Energy: 0.5115267299058152
Energy: 0.502988590558899
Energy: 0.504601569114181
Energy: 0.4929114336812855
Energy: 0.5032206738561059
Energy: 0.594249254320065
Energy: 0.49914171521886813
Energy: 0.49303044253331535
Energy: 0.594488478912221
Energy: 0.4972043565900896
Energy: 0.4955339675775441
Energy: 0.6159800498095219
Energy: 0.5048638978054085
Energy: 0.5107454093814814
Energy: 0.5300103346858739
Energy: 0.5212996767071285
Energy: 0.511383855051316
Energy: 0.5001293791480942
Energy: 0.5297978620656221
Energy: 0.49785815663870014
Energy: 0.49541400575650707
Energy: 0.529256212442744
Energy: 0.4935068282566993

minimum gb energy = 0.4929114336812855 eV
minimum distance =  2.64264000158406 Angstroms
sigma value = 11


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

Energy: 0.5732436756787148
Energy: 0.6294556186263225
Energy: 0.592449383687426
Energy: 0.5937380947318522
Energy: 0.5937716887818711
Energy: 0.5772139165128258
Energy: 0.6607440054135895
Energy: 0.5799987896723748
Energy: 0.5784464513260903
Energy: 0.6028273954726523
Energy: 0.5790657408874443
Energy: 0.5828339722441813
Energy: 0.6178394011092785
Energy: 0.5808762657765522
Energy: 0.5794229064397785
Energy: 0.5935684461197699
Energy: 0.5771038860999768
Energy: 0.576961199021953
Energy: 0.6033980886849507
Energy: 0.5705842882112505
Energy: 0.5775887326534942
Energy: 0.5872591322537162
Energy: 0.5724245031833801
Energy: 0.5935940250058437
Energy: 0.593486071600886
Energy: 0.5819651219531611
Energy: 0.5839848096894407
Energy: 0.5866119786774863
Energy: 0.5822895506498503
Energy: 0.5976222061803675
Energy: 0.6112584821273302
Energy: 0.5853068497043747
Energy: 0.591110926834136
Energy: 0.5796745325871036
Energy: 0.5835841336106699
Energy: 0.5884062959806152
Energy: 0.5937547969263692
Energy: 0.5863998303680987
Energy: 0.5863862965710964
Energy: 0.5940786763234432
Energy: 0.5795081089910591
Energy: 0.5875350680239764
Energy: 0.5921044107726214
Energy: 0.5874732467656895
Energy: 0.5853765517767993
Energy: 0.581488405323542
Energy: 0.5809215106655726
Energy: 0.5898157417446241
Energy: 0.5834352601061202
Energy: 0.5952059484727701
Energy: 0.5780373178356103
Energy: 0.5702774505980208
Energy: 0.5934487758616519
Energy: 0.5711125851382322
Energy: 0.6004156966495254
Energy: 0.5966238962149322
Energy: 0.5781009607076305
Energy: 0.5698429765618169
Energy: 0.5939961019297404
Energy: 0.5709187366634885
Energy: 0.5920791364392777
Energy: 0.5863454739623546
Energy: 0.5948100621107636
Energy: 0.5814360087899101
Energy: 0.5886831915598647
Energy: 0.5884273303560739
Energy: 0.5815367141143384
Energy: 0.5888673893438044
Energy: 0.5844219788730947
Energy: 0.5819629049342596
Energy: 0.5784069399929502
Energy: 0.5923838193521722
Energy: 0.57862858795879
Energy: 0.5954694311353753
Energy: 0.572486989821412
Energy: 0.5789440501994979
Energy: 0.5907139902763816
Energy: 0.580102342923427
Energy: 0.59930554008833
Energy: 0.5904975369185611
Energy: 0.5873619135760934
Energy: 0.5858733295108988
Energy: 0.5960609183126201
Energy: 0.5785486384493407
Energy: 0.5709230136753959
Energy: 0.5960191711859703
Energy: 0.5936056113718967
Energy: 0.575247173272953
Energy: 0.5896849563243771
Energy: 0.5717451067204925
Energy: 0.5716835969718009
Energy: 0.5962794994310976
Energy: 0.593308297163643
Energy: 0.572493837972427
Energy: 0.5903624737406434
Energy: 0.5716429890061469
Energy: 0.5710352849671297
Energy: 0.5866157541756003
Energy: 0.583703809889068
Energy: 0.5755898105552008
Energy: 0.5847198285792256
Energy: 0.5824104980998122
Energy: 0.6133547006134096
Energy: 0.607951232275738
Energy: 0.6078432220388278
Energy: 0.59735648831701
Energy: 0.6139377401188193
Energy: 0.599433659688601
Energy: 0.5883555224654917
Energy: 0.5877510457121052
Energy: 0.5823832970917246
Energy: 0.5881235741746634
Energy: 0.5848523729385545
Energy: 0.5772138751730974
Energy: 0.6009574788307122
Energy: 0.5826404173348181
Energy: 0.5783694674901864
Energy: 0.5891295222188729
Energy: 0.5726907416209829
Energy: 0.5791279730609145
Energy: 0.6420009328238202
Energy: 0.5720042479099249
Energy: 0.5813803164787751
Energy: 0.5884628787145451
Energy: 0.5737792718086453
Energy: 0.5945208912976819
Energy: 0.5884404679741053
Energy: 0.5924397015105844
Energy: 0.5941234889888389
Energy: 0.5841909284096102
Energy: 0.5892292901001243
Energy: 0.594890126968947
Energy: 0.5788644180465647
Energy: 0.5919910909713213
Energy: 0.5789217988577255
Energy: 0.576271718918632
Energy: 0.5905108350196046
Energy: 0.5868565540691164
Energy: 0.6413773242511316
Energy: 0.5812837294576613
Energy: 0.5852906351043452
Energy: 0.5841617343809054
Energy: 0.5889383539819874
Energy: 0.5828589490651016
Energy: 0.6357725651721794
Energy: 0.5878046320890521
Energy: 0.5859621590336627
Energy: 0.6142846373286472
Energy: 0.5865489334126203
Energy: 0.5959169964467593
Energy: 0.6191339686594495
Energy: 0.5762967412163053
Energy: 0.5783232461890446
Energy: 0.5856752767095309
Energy: 0.5766588622495527
Energy: 0.5920642875122746
Energy: 0.6250530807996708
Energy: 0.57327749716249
Energy: 0.5713786728124874
Energy: 0.5883652009519261
Energy: 0.5728434838252449
Energy: 0.5910208834629584
Energy: 0.6144965405675309
Energy: 0.5775564084499432
Energy: 0.5717753862692719
Energy: 0.589095929311019
Energy: 0.5779270488357777
Energy: 0.5921936810229682
Energy: 0.6471817908725676
Energy: 0.5797272489991353
Energy: 0.5775448525159796
Energy: 0.5899060174646691
Energy: 0.5949743771371448
Energy: 0.5843886024168123
Energy: 0.6936053292735667
Energy: 0.578052801729105
Energy: 0.5794185411910673
Energy: 0.5889345347111338
Energy: 0.5790364847471055
Energy: 0.5726988290483328
Energy: 0.5748687856917006
Energy: 0.5834313283063527
Energy: 0.5773000704654301
Energy: 0.5833124674435869
Energy: 0.5818214779261615
Energy: 0.5935468699603971

minimum gb energy = 0.5698429765618169 eV
minimum distance =  2.62745964647065 Angstroms
sigma value = 57


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

Energy: 0.8225178312529623
Energy: 0.5636902226701497
Energy: 0.5628241301410278
Energy: 0.5620759125292487
Energy: 0.5903851051883309
Energy: 0.5644926669736762
Energy: 0.5620749626416873
Energy: 0.5751884497142892
Energy: 0.5735963153611436
Energy: 0.5747812641885636
Energy: 0.5751144111530047
Energy: 0.5741110054126377
Energy: 0.6215547705342325
Energy: 0.5721208124107598
Energy: 0.5720054031256069
Energy: 0.5745827347813065
Energy: 0.5726220238647793
Energy: 0.5737865576331879
Energy: 0.5870924673322734
Energy: 0.5749246401536807
Energy: 0.5740625617801517
Energy: 0.5769070009777569
Energy: 0.5736003116854705
Energy: 0.5735871029136966
Energy: 0.5914934054353442
Energy: 0.5751864982910111
Energy: 0.5741003890902364
Energy: 0.576041207598175
Energy: 0.5761455625610905
Energy: 0.5740462618008665
Energy: 0.5885456303437067
Energy: 0.5885102932554732
Energy: 0.5748866524794658
Energy: 0.5753984857676473
Energy: 0.5912143128854053
Energy: 0.5735893910527916
Energy: 0.6209193168422161
Energy: 0.5622961737610466
Energy: 0.5625309780568943
Energy: 0.6206794551925657
Energy: 0.6008503335615885
Energy: 0.5874716707471035
Energy: 0.6498188038178357
Energy: 0.5749400767963078
Energy: 0.5739685775624597
Energy: 0.5771636128187648
Energy: 0.575355636638488
Energy: 0.574039138336518
Energy: 0.5620934944783655
Energy: 0.5753617347834908
Energy: 0.5633371129941226
Energy: 0.5648508886642069
Energy: 0.5755954775692125
Energy: 0.563252406391705
Energy: 0.5911569689461444
Energy: 0.5755331403281733
Energy: 0.5631472142803626
Energy: 0.5648949398574392
Energy: 0.5812444876395627
Energy: 0.5632164814634096
Energy: 0.6501246321149459
Energy: 0.5753227053652
Energy: 0.5746713326508629
Energy: 0.5773564090207376
Energy: 0.5829921718910538
Energy: 0.5740503338054
Energy: 0.6148953468102414
Energy: 0.572509162931959
Energy: 0.5721419644832832
Energy: 0.615257652529082
Energy: 0.5725603060339476
Energy: 0.5737771109145005
Energy: 0.5926462544833483
Energy: 0.5736066917079988
Energy: 0.5744353057724759
Energy: 0.5754745623303225
Energy: 0.5746013164374576
Energy: 0.5745201196864483
Energy: 0.5871985151671172
Energy: 0.5744498091431388
Energy: 0.574434934819702
Energy: 0.5744879001626847
Energy: 0.6217081114380353
Energy: 0.5736864410704472
Energy: 0.5916857037560789
Energy: 0.5620333552852705
Energy: 0.5734261273307236
Energy: 0.5876735974583037
Energy: 0.5621243126584865
Energy: 0.5737704206126993
Energy: 0.6219127182881475
Energy: 0.5621371853662286
Energy: 0.5620790437745321
Energy: 0.5824557647040021
Energy: 0.5621820732074323
Energy: 0.573534278035592
Energy: 0.562353954655172
Energy: 0.5747539961716129
Energy: 0.5735463793947146
Energy: 0.5628155423733273
Energy: 0.5755586124559453
Energy: 0.5740292723967375

minimum gb energy = 0.5620333552852705 eV
minimum distance =  2.63871188579252 Angstroms
sigma value = 9


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

Energy: 0.9913548843618082
Energy: 0.6510012022850938
Energy: 0.6143113109415993
Energy: 0.6502993357399275
Energy: 0.6356532141897173
Energy: 0.6144225277805581
Energy: 0.6944707290660266
Energy: 0.6153325407239838
Energy: 0.613154115999748
Energy: 0.619567903704038
Energy: 0.6153595724928148
Energy: 0.6140316903519061
Energy: 0.6261936601980025
Energy: 0.6154259374036635
Energy: 0.6147139206532852
Energy: 0.6025119924938335
Energy: 0.6183107762024266
Energy: 0.6140348563479174
Energy: 0.6182241274398548
Energy: 0.6162966950823833
Energy: 0.6157140351351003
Energy: 0.6140146205921342
Energy: 0.6130938032047784
Energy: 0.6192706436168608
Energy: 0.6466098492649247
Energy: 0.6047213576169639
Energy: 0.6062374724508464
Energy: 0.6027042001604912
Energy: 0.6026664034828922
Energy: 0.6084529200036165
Energy: 0.6266616537771665
Energy: 0.6096031355933141
Energy: 0.60836477649888
Energy: 0.6131949495689385
Energy: 0.6119715416014313
Energy: 0.6080395763199945
Energy: 0.6144030628608708
Energy: 0.60743248397679
Energy: 0.62083358611401
Energy: 0.6009047562797424
Energy: 0.6092502349654643
Energy: 0.6183596776755816
Energy: 0.6377910056035704
Energy: 0.6132384094141992
Energy: 0.6111426079154051
Energy: 0.6190878933635812
Energy: 0.6091902146983252
Energy: 0.6113423280240009
Energy: 0.648455237140873
Energy: 0.6040905952379118
Energy: 0.6054780841863854
Energy: 0.6227242178073937
Energy: 0.6027139295417892
Energy: 0.6216865519333243
Energy: 0.6502309356766274
Energy: 0.604416397300644
Energy: 0.6062814448495075
Energy: 0.6218561315741387
Energy: 0.6028830555440984
Energy: 0.6088925818962181
Energy: 0.63776757297796
Energy: 0.60705233956902
Energy: 0.6144900447429341
Energy: 0.602765133987436
Energy: 0.6083875056852377
Energy: 0.605946998797054
Energy: 0.6417344030166512
Energy: 0.617491784532424
Energy: 0.6153714525078522
Energy: 0.6148257085101371
Energy: 0.6180907054386141
Energy: 0.6144792103235217
Energy: 0.655840935978877
Energy: 0.6128092900609683
Energy: 0.6128136992034572
Energy: 0.6119743800283212
Energy: 0.6140088067643068
Energy: 0.6066766745913312
Energy: 0.6383598795257249
Energy: 0.6175801616184092
Energy: 0.6183293746155676
Energy: 0.6207945458216625
Energy: 0.6167785846642899
Energy: 0.6186408155876999
Energy: 0.6368010593156752
Energy: 0.6168281236291299
Energy: 0.615595275544344
Energy: 0.6028342758585833
Energy: 0.6070875397414377
Energy: 0.607442668287525
Energy: 0.6267323520334903
Energy: 0.6238088016699094
Energy: 0.607392494707335
Energy: 0.60113639910867
Energy: 0.6278096708954427
Energy: 0.6052468556919581
Energy: 0.6286008026586626
Energy: 0.6162019769938206
Energy: 0.6186763264020327
Energy: 0.6158104389862885
Energy: 0.6177936947402584
Energy: 0.6185644585433171
Energy: 0.7043622258025611
Energy: 0.6131079728610856
Energy: 0.6130882769893649
Energy: 0.6170405991132476
Energy: 0.6149299012021281
Energy: 0.6140483827723479
Energy: 0.629213370699399
Energy: 0.6189565324793853
Energy: 0.61610057838815
Energy: 0.6138999611127279
Energy: 0.6216917397732582
Energy: 0.61429922177391
Energy: 0.6265349563522948
Energy: 0.6195306885990736
Energy: 0.6166501674299969
Energy: 0.6387029599623276
Energy: 0.6211686159430453
Energy: 0.6146030126148441
Energy: 0.6315192996669029
Energy: 0.6150864248501811
Energy: 0.6154254335917495
Energy: 0.6071726151255135
Energy: 0.6126377099577605
Energy: 0.6161866993524244

minimum gb energy = 0.6009047562797424 eV
minimum distance =  2.59234827577644 Angstroms
sigma value = 27


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

Energy: 0.914820880011491
Energy: 0.6017995896258211
Energy: 0.5880215277185213
Energy: 0.5879897456525782
Energy: 0.6298995431003663
Energy: 0.6140859248639975
Energy: 0.6161695820282446
Energy: 0.6007139410679898
Energy: 0.6001816647008612
Energy: 0.597950337220285
Energy: 0.6015903205721003
Energy: 0.6001568422710616
Energy: 0.6231606028251446
Energy: 0.6001153962147538
Energy: 0.5995739311541189
Energy: 0.596253571743436
Energy: 0.5907394351715155
Energy: 0.6194051042477416
Energy: 0.6154082816652671
Energy: 0.6040606835423458
Energy: 0.6009215917219864
Energy: 0.6063668804942188
Energy: 0.5977293256846101
Energy: 0.598950179107077
Energy: 0.6223357575566377
Energy: 0.5960658475152332
Energy: 0.596136531612845
Energy: 0.5922137280186739
Energy: 0.5946893152911359
Energy: 0.595022681261148
Energy: 0.6256511918704788
Energy: 0.6004271741916523
Energy: 0.5998104680343351
Energy: 0.60283220317587
Energy: 0.6017468504167452
Energy: 0.5996221571289685
Energy: 0.6089758533130124
Energy: 0.5959480320841617
Energy: 0.5942566289852911
Energy: 0.5973821391378316
Energy: 0.5977603569691053
Energy: 0.5934627806007807
Energy: 0.6272067978043434
Energy: 0.5946958340510774
Energy: 0.5949170932822011
Energy: 0.5949155076903955
Energy: 0.5949604470555647
Energy: 0.5949584348749131
Energy: 0.6876109904850742
Energy: 0.6097949256014936
Energy: 0.60519456895338
Energy: 0.5959320525056487
Energy: 0.6003355780700047
Energy: 0.6031718939522267
Energy: 0.6976420331080746
Energy: 0.6051984483704091
Energy: 0.6045808073613956
Energy: 0.6066953597125867
Energy: 0.6065001119242188
Energy: 0.6041256673025805
Energy: 0.6318333506775561
Energy: 0.6059916467175164
Energy: 0.608814437338874
Energy: 0.6080549720707624
Energy: 0.5877453546619524
Energy: 0.607661764813391
Energy: 0.6393707264202836
Energy: 0.6087547459435004
Energy: 0.6075981244205954
Energy: 0.6039311751815437
Energy: 0.6081421622037111
Energy: 0.6077733285287787
Energy: 0.6733986148773998
Energy: 0.607656135785848
Energy: 0.6024896134944716
Energy: 0.6076808362194147
Energy: 0.6092972448925009
Energy: 0.602504978830171
Energy: 0.6725596423889809
Energy: 0.6066346556617314
Energy: 0.6058552431268741
Energy: 0.6028421275763161
Energy: 0.6032200500088732
Energy: 0.6062935813966556
Energy: 0.6350397258878733
Energy: 0.6056754316445228
Energy: 0.6038878558061684
Energy: 0.6142682694169244
Energy: 0.6079922143969592
Energy: 0.6036247749133076
Energy: 0.6271789466588283
Energy: 0.5983990676356823
Energy: 0.5994353445935813
Energy: 0.6028683195133079
Energy: 0.6002330141228934
Energy: 0.5995569147074478
Energy: 0.620191408528429
Energy: 0.6099909302843742
Energy: 0.602923079939788
Energy: 0.5884851608709245
Energy: 0.6105708790885662
Energy: 0.6042822593989949
Energy: 0.6302143784720199
Energy: 0.5942131194723903
Energy: 0.6018926929102753
Energy: 0.5948100357215873
Energy: 0.5940489430843252
Energy: 0.6016249665031648
Energy: 0.6238740881238848
Energy: 0.5983697211987854
Energy: 0.5966638734864032
Energy: 0.6147140160007397
Energy: 0.6001682979473574
Energy: 0.5957788082179928
Energy: 0.6157683530853734
Energy: 0.5985103155447787
Energy: 0.5967296940332235
Energy: 0.5978016621352111
Energy: 0.6002276797416569
Energy: 0.5958202246010345
Energy: 0.7013828558438362
Energy: 0.5953457970913453
Energy: 0.5953208356305418
Energy: 0.5951016007603865
Energy: 0.5937155828492524
Energy: 0.5949715307283246
Energy: 0.6185470424181865
Energy: 0.59798541643728
Energy: 0.5986815313021084
Energy: 0.5924233560994998
Energy: 0.5984469251680972
Energy: 0.599457271620875
Energy: 0.6303545490582668
Energy: 0.6006011051282881
Energy: 0.6005270264559688
Energy: 0.5942678621470595
Energy: 0.6013107158059384
Energy: 0.6011734844829097
Energy: 0.6114536719114391
Energy: 0.5993638696037346
Energy: 0.598195072002924
Energy: 0.5946767463499907
Energy: 0.605580969116258
Energy: 0.5972024397987641
Energy: 0.6278981414626598
Energy: 0.6102438265152167
Energy: 0.6096043651770421
Energy: 0.588273210977145
Energy: 0.6104274878484455
Energy: 0.5869048719230165

minimum gb energy = 0.5869048719230165 eV
minimum distance =  2.60815677972226 Angstroms
sigma value = 19


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

Energy: 0.9521279836725518
Energy: 0.6172151969263097
Energy: 0.5755541257698606
Energy: 0.591320125711154
Energy: 0.6099217007635244
Energy: 0.575174473811713
Energy: 0.6151844525871708
Energy: 0.5834965827638456
Energy: 0.5832378690363187
Energy: 0.582901216858812
Energy: 0.5863716360463614
Energy: 0.5837022504790504
Energy: 0.6167109621095029
Energy: 0.5846412547148852
Energy: 0.5837032864152703
Energy: 0.5858832495306681
Energy: 0.5866703110615458
Energy: 0.5840503102786075
Energy: 0.6151309379770977
Energy: 0.5827346372052287
Energy: 0.58282096569728
Energy: 0.5844514451349626
Energy: 0.5828812629510262
Energy: 0.582992326233314
Energy: 0.6099467514568631
Energy: 0.5861651322147621
Energy: 0.5840708289911296
Energy: 0.5894978299824792
Energy: 0.5888625149892593
Energy: 0.5836646924832855
Energy: 0.621907681577398
Energy: 0.6064283763557196
Energy: 0.6072064386058758
Energy: 0.603550753966752
Energy: 0.5838990354148633
Energy: 0.6072866068911033
Energy: 0.6093845532248228
Energy: 0.5867499397918408
Energy: 0.5861452478434338
Energy: 0.5835024873677142
Energy: 0.5886936860118098
Energy: 0.5864583366247345
Energy: 0.6169403616104407
Energy: 0.5878881149674914
Energy: 0.5850191750600593
Energy: 0.5867260575908235
Energy: 0.5857783645969886
Energy: 0.5832404055660507
Energy: 0.6014549186955166
Energy: 0.5833389661890623
Energy: 0.5848341134804271
Energy: 0.5827925883844577
Energy: 0.586165983952665
Energy: 0.5859213683633867
Energy: 0.6018090323180542
Energy: 0.5905302523110381
Energy: 0.5901292431205131
Energy: 0.5836261023661464
Energy: 0.5880906487671094
Energy: 0.5897091933121779
Energy: 0.6165708469531586
Energy: 0.5765428431536835
Energy: 0.5759749375204868
Energy: 0.5845614445139397
Energy: 0.5777997178056905
Energy: 0.5762570932883195
Energy: 0.6147580108789601
Energy: 0.5754856436659936
Energy: 0.5753504693843466
Energy: 0.5754280745364867
Energy: 0.5882242061492567
Energy: 0.5755309911064922
Energy: 0.6211447511499733
Energy: 0.5853133325488422
Energy: 0.5887138894161413
Energy: 0.5760067245555991
Energy: 0.5865445941027244
Energy: 0.5884378522320929
Energy: 0.6386838491573278
Energy: 0.5839296401861684
Energy: 0.5850103558602504
Energy: 0.5740803125704436
Energy: 0.5836740366188004
Energy: 0.5841812632801451
Energy: 0.6144396582761092
Energy: 0.5751507696172072
Energy: 0.5797620398505535
Energy: 0.5765396571757488
Energy: 0.574951146090165
Energy: 0.5770378855541466
Energy: 0.6218995101896816
Energy: 0.575079323496824
Energy: 0.5753976244058666
Energy: 0.5751564052642757
Energy: 0.5819943224549521
Energy: 0.5748973673862481
Energy: 0.6099553729168383
Energy: 0.5885891976422033
Energy: 0.591606075127414
Energy: 0.5756708424087341
Energy: 0.5911186337257349
Energy: 0.5917174615566858
Energy: 0.6292150701352969
Energy: 0.5757138538517897
Energy: 0.5755201801053946
Energy: 0.579156459208818
Energy: 0.5758885406326136
Energy: 0.5752707196814694
Energy: 0.6227423914779974
Energy: 0.5744335470454772
Energy: 0.5762832176902972
Energy: 0.5788863363798596
Energy: 0.5741480413699946
Energy: 0.5856267193966848
Energy: 0.6136569460874595
Energy: 0.5740660340272499
Energy: 0.5748357425096726
Energy: 0.5792851976722587
Energy: 0.5742477588763044
Energy: 0.576530982115561
Energy: 0.5928149801765087
Energy: 0.5759176088095697
Energy: 0.5764377696394273
Energy: 0.5752909054659265
Energy: 0.5763056803478974
Energy: 0.5777754482513853
Energy: 0.5901354327076981
Energy: 0.5755959826420921
Energy: 0.5753913886741613
Energy: 0.5904126913028245
Energy: 0.5754880781775439
Energy: 0.575543381670599
Energy: 0.608602603310644
Energy: 0.601402862643931
Energy: 0.5893371483037948
Energy: 0.5849488373631413
Energy: 0.5739725106723146
Energy: 0.5836454020122426
Energy: 0.6205610263369328
Energy: 0.5716113228871368
Energy: 0.576314650945662
Energy: 0.6046821615158138
Energy: 0.5717510053872816
Energy: 0.5769324175841732
Energy: 0.623045826519356
Energy: 0.5766107938551078
Energy: 0.5766537794004032
Energy: 0.5750524665879332
Energy: 0.5755995718783787
Energy: 0.5764471634131358
Energy: 0.6130702804646817
Energy: 0.5849647607038024
Energy: 0.5841334307397339
Energy: 0.5827278679781095
Energy: 0.5873804960039862
Energy: 0.5838187077182379
Energy: 0.6180278446519766
Energy: 0.5834894930003766
Energy: 0.5864299258964007
Energy: 0.5836542733782787
Energy: 0.5838899794280374
Energy: 0.5864943519163172
Energy: 0.6168863976808762
Energy: 0.5829365869696947
Energy: 0.5830009469889511
Energy: 0.5837896223692761
Energy: 0.5829254877908507
Energy: 0.5831237730614311
Energy: 0.6325886027625166
Energy: 0.6126095668640911
Energy: 0.6106314442955597
Energy: 0.5724434475800332
Energy: 0.6218657178282538
Energy: 0.5759385195171863

minimum gb energy = 0.5716113228871368 eV
minimum distance =  2.60663033045864 Angstroms
sigma value = 101


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

Energy: 0.8588134293952215
Energy: 0.5703416654091812
Energy: 0.5687278778256171
Energy: 0.5553724102850323
Energy: 0.5625945473709525
Energy: 0.5626607338634989
Energy: 0.6371829139973918
Energy: 0.5601893805285538
Energy: 0.5614242176257482
Energy: 0.5598010062093027
Energy: 0.560605056323636
Energy: 0.5608011411322235
Energy: 0.613072688448828
Energy: 0.559998647509574
Energy: 0.5600815712443142
Energy: 0.5642695555645983
Energy: 0.5611060533454699
Energy: 0.5639695665751497
Energy: 0.6046729364942947
Energy: 0.5602805185298732
Energy: 0.5688744755147093
Energy: 0.5738491396021917
Energy: 0.5602692695943469
Energy: 0.5691781845438381
Energy: 0.5795384119871152
Energy: 0.5652038652101453
Energy: 0.565657754440502
Energy: 0.5693038731791552
Energy: 0.564783542266858
Energy: 0.5670182284465402
Energy: 0.5829979719525606
Energy: 0.5655272997534325
Energy: 0.5651448135644084
Energy: 0.5641679049190477
Energy: 0.5661376410018356
Energy: 0.5654246987878938
Energy: 0.6066788257170773
Energy: 0.558640152790545
Energy: 0.558880632709891
Energy: 0.5787713035447966
Energy: 0.5594969285636845
Energy: 0.5636019986042758
Energy: 0.5958177286518865
Energy: 0.5616891750066249
Energy: 0.5616184368136887
Energy: 0.5826035166421021
Energy: 0.5600887439635805
Energy: 0.5620790050202159
Energy: 0.5720234238341231
Energy: 0.5655599303368597
Energy: 0.5620586859543109
Energy: 0.5627782996798298
Energy: 0.5633580555412593
Energy: 0.5605710399686792
Energy: 0.5834144581830008
Energy: 0.5611535712291988
Energy: 0.561740828284423
Energy: 0.561621920269637
Energy: 0.5616514006092062
Energy: 0.5616652480504755
Energy: 0.6089023099862972
Energy: 0.5516886727236976
Energy: 0.552779281873112
Energy: 0.5630799280283338
Energy: 0.5522570239813772
Energy: 0.559324514127849
Energy: 0.613003247947246
Energy: 0.5613034497454471
Energy: 0.5616130759162746
Energy: 0.5624623843072057
Energy: 0.5625869130857253
Energy: 0.5621125707363852
Energy: 0.5848466904191335
Energy: 0.5629158809362707
Energy: 0.5675766242520519
Energy: 0.5614216842628912
Energy: 0.5634659449899535
Energy: 0.5621943930402074
Energy: 0.5948455886387561
Energy: 0.5625445675582746
Energy: 0.5653806820676461
Energy: 0.5594339158370141
Energy: 0.5630254895906054
Energy: 0.5645847667775002
Energy: 0.6109100262087306
Energy: 0.5612278371211057
Energy: 0.5608870693998971
Energy: 0.5642444266445314
Energy: 0.5629089616639956
Energy: 0.5621795047794789
Energy: 0.610809008541377
Energy: 0.5645154610423739
Energy: 0.5691985796161068
Energy: 0.5705512660884468
Energy: 0.5642700246644484
Energy: 0.567717104288042
Energy: 0.5858785289594718
Energy: 0.5900331863121738
Energy: 0.5691198219293205
Energy: 0.5528105663780909
Energy: 0.589760647845736
Energy: 0.552104462022931
Energy: 0.6368989882882959
Energy: 0.5667862372650099
Energy: 0.5620298491152709
Energy: 0.5703192164376841
Energy: 0.562661190780432
Energy: 0.567919262006324
Energy: 0.6105236220919201
Energy: 0.5624259669434092
Energy: 0.5633049655897698
Energy: 0.5630227089640447
Energy: 0.5640173160652371
Energy: 0.5648037933786162
Energy: 0.6035252632488856
Energy: 0.5630393247729569
Energy: 0.5649583333301563
Energy: 0.5634182020542808
Energy: 0.5609131899944562
Energy: 0.5660284008355703
Energy: 0.5818440163128002
Energy: 0.5651049890103438
Energy: 0.5641619462452435
Energy: 0.5683434939078018
Energy: 0.5631850667419841
Energy: 0.566325885664492
Energy: 0.5844802034964617
Energy: 0.5605575590761113
Energy: 0.5605093161811401
Energy: 0.5645027310305896
Energy: 0.560568826304737
Energy: 0.5604588426883763
Energy: 0.5915161868200897
Energy: 0.5591385516526576
Energy: 0.5670990757761567
Energy: 0.5732296385427648
Energy: 0.5611111507405737
Energy: 0.5660498345364233
Energy: 0.6012183968081706
Energy: 0.5616906236080312
Energy: 0.5616587307534344
Energy: 0.5730844374510795
Energy: 0.5627731910418927
Energy: 0.5615070131450951
Energy: 0.5804341617653815
Energy: 0.5605264975703739
Energy: 0.5665657490853545
Energy: 0.5612958346668887
Energy: 0.5620341206082256
Energy: 0.5654337926343871
Energy: 0.5723422397141198
Energy: 0.5615094347151671
Energy: 0.5686376995916762
Energy: 0.5630612049815547
Energy: 0.5623535302787136
Energy: 0.5675022181618742
Energy: 0.6057772785149516
Energy: 0.5522993825007799
Energy: 0.5525863560257479
Energy: 0.5669340048209233
Energy: 0.5532817543270062
Energy: 0.5535575091342148
Energy: 0.6114727708502572
Energy: 0.5512399218783746
Energy: 0.551874065832518
Energy: 0.5667178212949083
Energy: 0.5517255341785336
Energy: 0.5642803698657709
Energy: 0.5839294371337763
Energy: 0.5654078335688226
Energy: 0.5643435992251936
Energy: 0.5596853478226027
Energy: 0.5654494109742461
Energy: 0.5631422463473227
Energy: 0.5870691335069488
Energy: 0.5668294899911112
Energy: 0.5667572088488477
Energy: 0.5616890827362826
Energy: 0.5598240003565381
Energy: 0.5665575118934864
Energy: 0.6116766092204983
Energy: 0.565451827586183
Energy: 0.5647458825832002
Energy: 0.5626403262673579
Energy: 0.5662203054604329
Energy: 0.5655963024104634
Energy: 0.6108734996154457
Energy: 0.560412191876842
Energy: 0.5610446895564459
Energy: 0.5609217816880717
Energy: 0.5609426300844446
Energy: 0.5612909521245228
Energy: 0.587217670532062
Energy: 0.5629543277643563
Energy: 0.5649919659240448
Energy: 0.5548520264415552
Energy: 0.5674143918630071
Energy: 0.5690882275834108

minimum gb energy = 0.5512399218783746 eV
minimum distance =  2.62370469469369 Angstroms
sigma value = 33


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

Energy: 0.013464012941538163
Energy: 0.013978762708556226
Energy: 0.013976193936832991
Energy: 0.014786241107002778
Energy: 0.5442934672449191
Energy: 0.013950735205589314
Energy: 0.01394128468907645
Energy: 0.07168750236154132
Energy: 0.07084032793889218
Energy: 0.07424507720093651
Energy: 0.07280535719193611
Energy: 0.07063087437093742
Energy: 0.7339846551678412
Energy: 0.5435051335801345
Energy: 0.5427059237834492
Energy: 0.5453500965521114
Energy: 0.5451346420530915
Energy: 0.5427871048351345
Energy: 0.013941284689772801
Energy: 0.07168750236188949
Energy: 0.07084032793924036
Energy: 0.07424507720126534
Energy: 0.07280535719294196
Energy: 0.07063087436991222

minimum gb energy = 0.013464012941538163 eV
minimum distance =  2.85002463224121 Angstroms
sigma value = 1