Model name: model_name=EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.128871455788613
cohesive_energy=3.7144354827541424
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.011007311793360133
Energy: 0.011473724035497715
Energy: 0.2584049411171402
Energy: 0.011473724035497715
Energy: 0.011473724035497715
Energy: 0.35614427532942616
Energy: 0.011473724035016909
Energy: 0.35614427532942616
Energy: 0.2584049411171402
Energy: 0.011473724035497715
Energy: 0.011007311793360133
Energy: 0.011473724035016909
Energy: 0.011473724035497715
Energy: 0.35614427532942616
Energy: 0.011473724035016909
Energy: 0.3561442753289721

minimum gb energy = 0.011007311793360133 eV
minimum distance =  2.81870932270023 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.4927171304469325
Energy: 0.47507308710286167
Energy: 0.5116913853707776
Energy: 0.4750730871034448
Energy: 0.47557317396746107
Energy: 0.4815689713494999
Energy: 0.4797449277939433
Energy: 0.48156897135008303
Energy: 0.45052296934150876
Energy: 0.46165998485110543
Energy: 0.47265683049087337
Energy: 0.46165998485052234
Energy: 0.4591641824862752
Energy: 0.49103211903959987
Energy: 0.4611627112764601
Energy: 0.49103211903959987
Energy: 0.46080365139988816
Energy: 0.47649974570759934
Energy: 0.4695944179501202
Energy: 0.47649974570759934
Energy: 0.4580429181610225
Energy: 0.5407420481194458
Energy: 0.4435765413957536
Energy: 0.5407420481194458
Energy: 0.4774627321483518
Energy: 0.46285706523948644
Energy: 0.4588225026875174
Energy: 0.46285706523948644
Energy: 0.4360258098481089
Energy: 0.4758046426549682
Energy: 0.4396468775334514
Energy: 0.4758046426555513
Energy: 0.46185625504131
Energy: 0.4843089027405923
Energy: 0.46423927015166705
Energy: 0.4843089027405923
Energy: 0.4434693234162577
Energy: 0.4615624420173595
Energy: 0.4300692512628862
Energy: 0.46156244201677643
Energy: 0.4702048476500938
Energy: 0.48085921065292314
Energy: 0.4619484643006039
Energy: 0.48085921065292314
Energy: 0.47581619486924476
Energy: 0.47572925069502053
Energy: 0.454216737102046
Energy: 0.4757292506932712
Energy: 0.46838111170282837
Energy: 0.46334755361216035
Energy: 0.47743610629954675
Energy: 0.4633475536127435
Energy: 0.4711852904541676
Energy: 0.47435710878707193
Energy: 0.45605347600145835
Energy: 0.47435710878648885
Energy: 0.46977866186312744
Energy: 0.47643828637596397
Energy: 0.47350739651057483
Energy: 0.4764382863765471
Energy: 0.4677577788621524
Energy: 0.4765562863085095
Energy: 0.47235547068554923
Energy: 0.4765562863085095
Energy: 0.47301464622666095
Energy: 0.46184030582658175
Energy: 0.44546981405657904
Energy: 0.4618403058271649
Energy: 0.47945697785377417
Energy: 0.46200206757144413
Energy: 0.47584683764607244
Energy: 0.46200206757144413
Energy: 0.434465803668063
Energy: 0.4755836997939446
Energy: 0.45439660481073546
Energy: 0.4755836997939446
Energy: 0.48680459888089744
Energy: 0.4695870849725334
Energy: 0.4635176626012288
Energy: 0.4695870849725334
Energy: 0.44336667796043244
Energy: 0.46157504164912744
Energy: 0.4292137413003901
Energy: 0.4615750416497106
Energy: 0.4614268618231535
Energy: 0.4899378570307597
Energy: 0.46488956785554947
Energy: 0.4899378570313428
Energy: 0.46564675161311986
Energy: 0.4766193316489931
Energy: 0.44802432613082144
Energy: 0.4766193316501593
Energy: 0.45696937021776474
Energy: 0.4622961703712112
Energy: 0.45830512602713847
Energy: 0.4622961703712112
Energy: 0.4586413471216443
Energy: 0.47379488397003927
Energy: 0.47727169553903703
Energy: 0.4737948839694561
Energy: 0.4621771011988629
Energy: 0.47599873020165306
Energy: 0.45618574109252347
Energy: 0.47599873020165306
Energy: 0.4591699281008866
Energy: 0.48510813016834625
Energy: 0.4617004419573942
Energy: 0.48510813016892934
Energy: 0.45275323109210575
Energy: 0.4612879367919397
Energy: 0.4682639645860417
Energy: 0.4612879367907735
Energy: 0.47491830858986717
Energy: 0.4819807722447238
Energy: 0.47489921013378433
Energy: 0.4819807722435576
Energy: 0.48373701998157936
Energy: 0.47544486083170107
Energy: 0.4780189738595524
Energy: 0.4754448608322842
Energy: 0.47742626407205263
Energy: 0.4748426914313884
Energy: 0.4681387773057794
Energy: 0.47484269143197155
Energy: 0.45939595610642037
Energy: 0.4621602377885261
Energy: 0.47092552051039305
Energy: 0.4621602377885261
Energy: 0.46091369987506936
Energy: 0.4904757546191391
Energy: 0.4619995811882618
Energy: 0.4904757546197222

minimum gb energy = 0.4292137413003901 eV
minimum distance =  2.64940576264307 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.5103086878200763
Energy: 0.5186965194447054
Energy: 0.5351697270007743
Energy: 0.5186965194466999
Energy: 0.4819092589783432
Energy: 0.505081408318821
Energy: 0.490598246229
Energy: 0.5050814083194859
Energy: 0.4673409428747919
Energy: 0.5188671122202311
Energy: 0.48101318453304587
Energy: 0.5188671122235553
Energy: 0.4665029232386622
Energy: 0.49521952945101666
Energy: 0.4669119012929091
Energy: 0.495219529449687
Energy: 0.4666065787473616
Energy: 0.4992699811502766
Energy: 0.4738683388524452
Energy: 0.4992699811456226
Energy: 0.5073161468499845
Energy: 0.4991659192225269
Energy: 0.4729292777149698
Energy: 0.49916591922053233
Energy: 0.48151490494033333
Energy: 0.493865160652221
Energy: 0.4671270005404328
Energy: 0.49386516065352054
Energy: 0.44108574614176804
Energy: 0.5188060967076091
Energy: 0.4574232959703539
Energy: 0.5188060967049497
Energy: 0.4672154308461855
Energy: 0.4964199548646734
Energy: 0.49091896391254564
Energy: 0.49641995486533824
Energy: 0.46470719864017745
Energy: 0.5189975609639457
Energy: 0.44398293479701284
Energy: 0.5189975609652753
Energy: 0.4814059721920555
Energy: 0.5035935195018546
Energy: 0.49062214490923617
Energy: 0.5035935195011898
Energy: 0.4544686159637144
Energy: 0.5075461145306643
Energy: 0.4809635155057735
Energy: 0.5075461145299995
Energy: 0.49677369484950795
Energy: 0.4993081839765205
Energy: 0.4803442714006712
Energy: 0.4993081839765205
Energy: 0.49677562608205017
Energy: 0.49936815930800266
Energy: 0.4738391081284237
Energy: 0.4993681593073378
Energy: 0.45450398026480315
Energy: 0.507575510117806
Energy: 0.480975508652956
Energy: 0.5075755101158114
Energy: 0.48140805439184103
Energy: 0.4944186938518575
Energy: 0.49053240146135857
Energy: 0.4944186938545169
Energy: 0.46470015276302673
Energy: 0.5189764501900359
Energy: 0.44839191208566587
Energy: 0.5189764501887063
Energy: 0.46745215767788867
Energy: 0.49615553724382494
Energy: 0.49125268459131516
Energy: 0.4961555372444898
Energy: 0.44108285338330433
Energy: 0.518716361030427
Energy: 0.4574031155332979
Energy: 0.518716361030427
Energy: 0.4816056131571706
Energy: 0.4940849477717575
Energy: 0.4717248802773767
Energy: 0.4940849477704278
Energy: 0.5072105747423359
Energy: 0.4991382438969845
Energy: 0.4573284986518311
Energy: 0.4991382438976494
Energy: 0.4665809615792063
Energy: 0.49942022228370253
Energy: 0.48145520381773754
Energy: 0.49942022228569705
Energy: 0.46655971874810953
Energy: 0.4951475229250104
Energy: 0.4668675688184635
Energy: 0.4951475229263401
Energy: 0.4676232955125851
Energy: 0.5189872339301246
Energy: 0.4809581782186151
Energy: 0.5189872339307895
Energy: 0.4819484375613811
Energy: 0.5050729831221
Energy: 0.4905651840209534
Energy: 0.5050729831247593
Energy: 0.5103086878200763
Energy: 0.5186965194447054
Energy: 0.5158690422211943
Energy: 0.5186965194466999
Energy: 0.4819092589783432
Energy: 0.505081408318821
Energy: 0.49059824622966486
Energy: 0.5050814083194859
Energy: 0.4673409428747919
Energy: 0.5188671122202311
Energy: 0.48101318453304587
Energy: 0.5188671122235553
Energy: 0.4665029232379974
Energy: 0.49521952945101666
Energy: 0.4685338912449221
Energy: 0.495219529449687

minimum gb energy = 0.44108285338330433 eV
minimum distance =  2.58920141669923 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.5178561570634044
Energy: 0.5367794782576758
Energy: 0.5620272133876976
Energy: 0.5367794782569029
Energy: 0.5125861494975431
Energy: 0.5144123747396911
Energy: 0.4912548603062342
Energy: 0.5144123747389182
Energy: 0.48720556131503673
Energy: 0.5679920876756615
Energy: 0.4911043162204167
Energy: 0.5679920876748886
Energy: 0.4820980649047707
Energy: 0.5338991793414458
Energy: 0.48093948734377967
Energy: 0.5338991793406729
Energy: 0.48230530750034445
Energy: 0.5368965787632628
Energy: 0.5015791548211171
Energy: 0.5368965787640356
Energy: 0.5341015282846003
Energy: 0.5678346533486696
Energy: 0.5644709476467664
Energy: 0.5678346533486696
Energy: 0.5127572968546101
Energy: 0.493937883990477
Energy: 0.5054334114345282
Energy: 0.493937883990477
Energy: 0.5633506789082969
Energy: 0.5375855845170036
Energy: 0.4675036128826218
Energy: 0.5375855845162307
Energy: 0.5056660174715282
Energy: 0.5140343520384851
Energy: 0.5127766669974756
Energy: 0.5140343520392581
Energy: 0.49284173492853584
Energy: 0.5679467097388468
Energy: 0.4713981653699325
Energy: 0.5679467097388468
Energy: 0.5018032274034527
Energy: 0.5366836447677755
Energy: 0.4908721372379935
Energy: 0.5366836447670027
Energy: 0.5004292644769135
Energy: 0.5371598565895331
Energy: 0.49096038675643205
Energy: 0.5371598565879873
Energy: 0.49109112239975794
Energy: 0.5330707310016891
Energy: 0.4718749623330602
Energy: 0.5330707310016891
Energy: 0.5052310362597757
Energy: 0.4941885826969259
Energy: 0.5127454321906603
Energy: 0.494188582696153
Energy: 0.45270040354652025
Energy: 0.5370430645900975
Energy: 0.4662098211218015
Energy: 0.5370430645893246
Energy: 0.49503963670117174
Energy: 0.4935374055466179
Energy: 0.4810954154113598
Energy: 0.4935374055466179
Energy: 0.4529743045698881
Energy: 0.5679210502535652
Energy: 0.45251773698457237
Energy: 0.567921050255111
Energy: 0.4809328436190394
Energy: 0.5401712386784502
Energy: 0.5004201273784059
Energy: 0.5401712386776774
Energy: 0.48135006079093706
Energy: 0.5338459605145438
Energy: 0.4818288672687721
Energy: 0.5338459605153169
Energy: 0.5165402311339978
Energy: 0.5678610451098802
Energy: 0.49108915792328406
Energy: 0.5678610451098802
Energy: 0.501180413908344
Energy: 0.5132104814537597
Energy: 0.4927895321764766
Energy: 0.5132104814537597
Energy: 0.5170920946052813
Energy: 0.5372227936775049
Energy: 0.5242910510077414
Energy: 0.5372227936775049
Energy: 0.512998739278575
Energy: 0.5215089131683843
Energy: 0.4911703797821465
Energy: 0.5215089131683843
Energy: 0.48609503167774776
Energy: 0.5691713408822453
Energy: 0.49293836584374556
Energy: 0.5691713408822453
Energy: 0.49203157392990854
Energy: 0.5347996272405767
Energy: 0.4808096867650325
Energy: 0.534799627239031

minimum gb energy = 0.45251773698457237 eV
minimum distance =  2.57888298102335 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.5361065322276347
Energy: 0.5365512649304974
Energy: 0.5933221043538388
Energy: 0.5365512649304974
Energy: 0.5199622184673118
Energy: 0.542469029870772
Energy: 0.5051150389128289
Energy: 0.5424690298726159
Energy: 0.5106092876187588
Energy: 0.5230075292470232
Energy: 0.5113318098239437
Energy: 0.5230075292470232
Energy: 0.5188238879071464
Energy: 0.576195897720345
Energy: 0.4914465573442917
Energy: 0.576195897720345
Energy: 0.5698118456088844
Energy: 0.5421105820423087
Energy: 0.5064058791862853
Energy: 0.5421105820413866
Energy: 0.4647174906424639
Energy: 0.5229813979518442
Energy: 0.5343451449305331
Energy: 0.5229813979490783
Energy: 0.5181322724058393
Energy: 0.4914548318264778
Energy: 0.4912788625105756
Energy: 0.4914548318264778
Energy: 0.5249503876096834
Energy: 0.5230644060676961
Energy: 0.48658610519849843
Energy: 0.5230644060667741
Energy: 0.5180392838026815
Energy: 0.5422576152738754
Energy: 0.5078301968633153
Energy: 0.5422576152738754
Energy: 0.5178859878320012
Energy: 0.535550383553472
Energy: 0.49137400239012125
Energy: 0.535550383553472
Energy: 0.4902356253106015
Energy: 0.544620521848698
Energy: 0.5111544576144821
Energy: 0.5446205218477969
Energy: 0.5186976261629827
Energy: 0.5362467314147551
Energy: 0.4932084703802036
Energy: 0.5362467314147551
Energy: 0.4644739642361089
Energy: 0.5367895235826627
Energy: 0.48091751252152776
Energy: 0.5367895235854286
Energy: 0.5366464181713939
Energy: 0.5218810069244737
Energy: 0.5054955380456021
Energy: 0.5218810069253957
Energy: 0.46447706282977386
Energy: 0.5367780655051055
Energy: 0.4646165964228275
Energy: 0.5367780655069496
Energy: 0.5187239447697205
Energy: 0.5363099464877031
Energy: 0.49146345073725417
Energy: 0.536309946486781
Energy: 0.49030120728789434
Energy: 0.5447696459693575
Energy: 0.49525770911859135
Energy: 0.5447696459684355
Energy: 0.5180191599226162
Energy: 0.5357316081776621
Energy: 0.4919693914368596
Energy: 0.5357316081785842
Energy: 0.5180867896195406
Energy: 0.5422559952501148
Energy: 0.49510416548130587
Energy: 0.5422559952501148
Energy: 0.5249441630635017
Energy: 0.5229810435822233
Energy: 0.48658360733797784
Energy: 0.5229810435813013
Energy: 0.5181283655563859
Energy: 0.4913386042653434
Energy: 0.4912624760811233
Energy: 0.49133860426442144

minimum gb energy = 0.4644739642361089 eV
minimum distance =  2.6863148411643 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.5062670703654047
Energy: 0.5736703743995857
Energy: 0.6373705426345914
Energy: 0.5736703743995857
Energy: 0.49026315441098034
Energy: 0.5879758766380421
Energy: 0.4787880053994524
Energy: 0.587975876636902
Energy: 0.4789577726017312
Energy: 0.6031973616767269
Energy: 0.47861534875807543
Energy: 0.6031973616767269
Energy: 0.5086722563434148
Energy: 0.5757394404625614
Energy: 0.5622215370132133
Energy: 0.5757394404625614
Energy: 0.5609983892839279
Energy: 0.49220639284101403
Energy: 0.47960887354197057
Energy: 0.4922063928421543
Energy: 0.4806116187788108
Energy: 0.6047156069586861
Energy: 0.4795697896212789
Energy: 0.6047156069575459
Energy: 0.47924876619539136
Energy: 0.5351260285399071
Energy: 0.4792072017131892
Energy: 0.5351260285410473
Energy: 0.48479906888465285
Energy: 0.5754756554052546
Energy: 0.5086537823471976
Energy: 0.5754756554052546
Energy: 0.4787661610694428
Energy: 0.5437002370846318
Energy: 0.4918393027366337
Energy: 0.5437002370869122
Energy: 0.594681627085982
Energy: 0.529480847757045
Energy: 0.4806428128082374
Energy: 0.5294808477502038
Energy: 0.4789407607075205
Energy: 0.5739540848467815
Energy: 0.6371987249306418
Energy: 0.5739540848479217
Energy: 0.47970392561829894
Energy: 0.5560365907124728
Energy: 0.5952822816246401
Energy: 0.5560365907124728
Energy: 0.5526100205381457
Energy: 0.6028053267484476
Energy: 0.4784125625678476
Energy: 0.6028053267484476
Energy: 0.4791663094532395
Energy: 0.5756494730982349
Energy: 0.5086665641537647
Energy: 0.5756494730993752
Energy: 0.47870554946877125
Energy: 0.5732694332305065
Energy: 0.556021459506274
Energy: 0.5732694332305065
Energy: 0.49145510842426887
Energy: 0.6028481595539453
Energy: 0.48077047428716424
Energy: 0.6028481595539453
Energy: 0.47932892828883655
Energy: 0.5224451450887195
Energy: 0.5937153721400076
Energy: 0.5224451450887195

minimum gb energy = 0.4784125625678476 eV
minimum distance =  2.66330724412898 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.5508343358056315
Energy: 0.5512578690033619
Energy: 0.663018477034952
Energy: 0.5512578690040078
Energy: 0.5710296078456284
Energy: 0.5410319180098905
Energy: 0.4902323774316089
Energy: 0.5410319180098905
Energy: 0.5768653731284265
Energy: 0.5430328891909052
Energy: 0.4900883411193146
Energy: 0.5430328891902594
Energy: 0.4908564940928292
Energy: 0.5518774588923692
Energy: 0.5398436838259433
Energy: 0.5518774588917233
Energy: 0.5875828259200179
Energy: 0.5340158483525188
Energy: 0.49024720579700604
Energy: 0.5340158483518732
Energy: 0.5019491632922344
Energy: 0.5470047843259729
Energy: 0.5604878391348876
Energy: 0.5470047843259729
Energy: 0.49252069968468
Energy: 0.5439094165563849
Energy: 0.49063996317242853
Energy: 0.5439094165563849
Energy: 0.5706527828794473
Energy: 0.5487418289316948
Energy: 0.5051798538810713
Energy: 0.5487418289329861
Energy: 0.5037010824665592
Energy: 0.5634897375131309
Energy: 0.5914658244145222
Energy: 0.5634897375118394
Energy: 0.6297862476859198
Energy: 0.5456538062161428
Energy: 0.4942666097931863
Energy: 0.5456538062154971
Energy: 0.49279803921358106
Energy: 0.5494302170154378
Energy: 0.5641552615535762
Energy: 0.5494302170167293
Energy: 0.5061171970874854
Energy: 0.5424851810685916
Energy: 0.5058443357767188
Energy: 0.5424851810692373
Energy: 0.5525849457242348
Energy: 0.5491031721443957
Energy: 0.5467498949972971
Energy: 0.5491031721456874
Energy: 0.49388708781088336
Energy: 0.6082835576036578
Energy: 0.5707416004593586
Energy: 0.6082835576036578
Energy: 0.5522780316843547
Energy: 0.5461318313897507
Energy: 0.5038126381425456
Energy: 0.546131831389105
Energy: 0.5654760652314216
Energy: 0.5500276160864984
Energy: 0.5701901913887413
Energy: 0.5500276160858526
Energy: 0.49111991732865373
Energy: 0.5603269512115969
Energy: 0.5643680918445925
Energy: 0.5603269512115969
Energy: 0.5566027568119507
Energy: 0.5403629731033994
Energy: 0.5019953541622062
Energy: 0.5403629731040451
Energy: 0.5347371694476472
Energy: 0.5635390163080641
Energy: 0.5288257618774623
Energy: 0.5635390163087098
Energy: 0.4911348177046972
Energy: 0.549639452287555
Energy: 0.49106085411337513
Energy: 0.5496394522882008
Energy: 0.5335448870332249
Energy: 0.5430538784860057
Energy: 0.5761129327589597
Energy: 0.5430538784860057
Energy: 0.4910208091135196
Energy: 0.5931513967170547
Energy: 0.5639331449758604
Energy: 0.5931513967170547
Energy: 0.5776209737870271
Energy: 0.551907552091324
Energy: 0.4895284603232337
Energy: 0.5519075520900326
Energy: 0.5020710190283916
Energy: 0.5621356923186547
Energy: 0.5633753255659338
Energy: 0.5621356923193004
Energy: 0.5020631342856798
Energy: 0.5427123773553574
Energy: 0.5633457758507477
Energy: 0.5427123773547116
Energy: 0.5817044315671906
Energy: 0.5497817450624051
Energy: 0.49042808766579443
Energy: 0.5497817450617593
Energy: 0.49038760715823415
Energy: 0.5825942754837644
Energy: 0.6537373391638599
Energy: 0.5825942754843807
Energy: 0.5605660121368239
Energy: 0.5470158304844115
Energy: 0.5761563407524438
Energy: 0.5470158304844115
Energy: 0.5631556919103375
Energy: 0.5563600572120382
Energy: 0.49253221262353625
Energy: 0.556360057212684
Energy: 0.5055252085580239
Energy: 0.5632713332047165
Energy: 0.5579106839934037
Energy: 0.5632713332040707

minimum gb energy = 0.4895284603232337 eV
minimum distance =  2.543608128858 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.4584362089757598
Energy: 0.45889473782487533
Energy: 0.6855344902632391
Energy: 0.45889473782487533
Energy: 0.5740114786301936
Energy: 0.4965168854336571
Energy: 0.4837844805155439
Energy: 0.4965168854336571
Energy: 0.45922120721473375
Energy: 0.45936419702164566
Energy: 0.5126285652130533
Energy: 0.4593641970231323
Energy: 0.4593238514692317
Energy: 0.4593254426296389
Energy: 0.460690723614312
Energy: 0.4593254426296389
Energy: 0.5740005758404381
Energy: 0.49652112389577
Energy: 0.48384122983075256
Energy: 0.4965211238972568
Energy: 0.4584362089757598
Energy: 0.45889473782487533
Energy: 0.6396329960666122
Energy: 0.45889473782487533
Energy: 0.5740114786301936
Energy: 0.4965168854336571
Energy: 0.4837844805155439
Energy: 0.4965168854336571
Energy: 0.4592212072132471
Energy: 0.4593641970231323
Energy: 0.5639496078469931
Energy: 0.4593641970231323
Energy: 0.45932385146774496
Energy: 0.4593254426296389
Energy: 0.5123986749821965
Energy: 0.4593254426296389
Energy: 0.5740005758404381
Energy: 0.49652112389577
Energy: 0.48384122983075256
Energy: 0.4965211238972568
Energy: 0.4584362089757598
Energy: 0.45889473782487533
Energy: 0.6250705485866561
Energy: 0.45889473782487533
Energy: 0.5740114786301936
Energy: 0.4965168854336571
Energy: 0.5491037042472187
Energy: 0.4965168854336571
Energy: 0.4592212072132471
Energy: 0.4593641970231323
Energy: 0.5639496078484797
Energy: 0.4593641970231323

minimum gb energy = 0.4584362089757598 eV
minimum distance =  2.62851018029683 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.5188334379212604
Energy: 0.6285846483527054
Energy: 0.6876226040191626
Energy: 0.6285846483527054
Energy: 0.5997468913698224
Energy: 0.5353816737359223
Energy: 0.5177168642681773
Energy: 0.5353816737348218
Energy: 0.5080489918607278
Energy: 0.5102464562654326
Energy: 0.5237533653057168
Energy: 0.5102464562632317
Energy: 0.5799230551276305
Energy: 0.6256502975753071
Energy: 0.5186357283030486
Energy: 0.6256502975742066
Energy: 0.5861932821657531
Energy: 0.5346878959343286
Energy: 0.5156365202181453
Energy: 0.5346878959332283
Energy: 0.5096179388887341
Energy: 0.5095238051131222
Energy: 0.5859489478551023
Energy: 0.5095238051131222
Energy: 0.6970451208096342
Energy: 0.5307176221253963
Energy: 0.5230352275758205
Energy: 0.5307176221259466
Energy: 0.5147464215646804
Energy: 0.5546562471638792
Energy: 0.5859317725911575
Energy: 0.5546562471534248
Energy: 0.5093361818202281
Energy: 0.6347147340404524
Energy: 0.5163863770228458
Energy: 0.6347147340399022
Energy: 0.5092491824651572
Energy: 0.5330165036048061
Energy: 0.5237388232127982
Energy: 0.5330165036059066
Energy: 0.5157526415221884
Energy: 0.6279183122082767
Energy: 0.6787698401945799
Energy: 0.627918312208827
Energy: 0.5978675677194905
Energy: 0.6058579634697173
Energy: 0.5115047589246504
Energy: 0.6058579634680666
Energy: 0.5095929305075431
Energy: 0.5796193576928815
Energy: 0.6426404153560867
Energy: 0.5796193576928815
Energy: 0.58342643899698
Energy: 0.623885069023089
Energy: 0.5231412992283612
Energy: 0.6238850690241896
Energy: 0.5164994271787899
Energy: 0.5801091578527966
Energy: 0.5874096893004337
Energy: 0.5801091578527966
Energy: 0.5118094481179845
Energy: 0.6235221917967017
Energy: 0.5813420270378067
Energy: 0.6235221917961515
Energy: 0.5507140367370735
Energy: 0.5795059726594253
Energy: 0.5170020436537508
Energy: 0.5795059726594253
Energy: 0.5190465029381699
Energy: 0.5307830637428286
Energy: 0.587528864163991
Energy: 0.5307830637439291
Energy: 0.5797415902388808
Energy: 0.5799284579862543
Energy: 0.5110343852208822
Energy: 0.5799284579846037
Energy: 0.5183633501632531
Energy: 0.5433841349013776
Energy: 0.5603237374059468
Energy: 0.5433841349008274
Energy: 0.5867048655212832
Energy: 0.6255853959762019
Energy: 0.5816294640775881
Energy: 0.6255853959773023
Energy: 0.5690937851437711
Energy: 0.5817097072117126
Energy: 0.5094289467804032
Energy: 0.5817097072100619
Energy: 0.5171993720084469
Energy: 0.5805408732874089
Energy: 0.5095219450872565
Energy: 0.5805408732879591
Energy: 0.6825898454191278
Energy: 0.5778054776508903
Energy: 0.5141684610617809
Energy: 0.5778054776514405
Energy: 0.5180564517725266
Energy: 0.6154590683868665
Energy: 0.6531810695806549
Energy: 0.6154590683879669
Energy: 0.5427242492844183
Energy: 0.5098536956211981
Energy: 0.5080656829314697
Energy: 0.5098536956228487
Energy: 0.5894011659537224
Energy: 0.5852452930998305
Energy: 0.5793493100416336
Energy: 0.5852452930998305
Energy: 0.5309202988585221
Energy: 0.6259733475372721
Energy: 0.5801564446649174
Energy: 0.6259733475367218
Energy: 0.553593359458124
Energy: 0.5098433963335928
Energy: 0.5075714330752717
Energy: 0.5098433963324923
Energy: 0.5209233320391548
Energy: 0.6155095994385302
Energy: 0.6543541846845206
Energy: 0.6155095994379799
Energy: 0.6421645726221091
Energy: 0.5605495550487868
Energy: 0.5137464144599972
Energy: 0.5605495550509878
Energy: 0.5222602518051405
Energy: 0.5319724600555376
Energy: 0.5085259412566915
Energy: 0.5319724600538868
Energy: 0.5254144870704707
Energy: 0.5751740588140302
Energy: 0.5083352200800687
Energy: 0.5751740588145802
Energy: 0.5897249590550581
Energy: 0.6253989323920693
Energy: 0.580146886768429
Energy: 0.625398932390969
Energy: 0.5171031713469632
Energy: 0.6095653153120757
Energy: 0.6901271109532021
Energy: 0.6095653153109751

minimum gb energy = 0.5075714330752717 eV
minimum distance =  2.58590761022509 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.5596674730854855
Energy: 0.5569599485506112
Energy: 0.6634228620533698
Energy: 0.5569599485506112
Energy: 0.566726226622988
Energy: 0.5553211150725387
Energy: 0.5181282277997072
Energy: 0.5553211150725387
Energy: 0.5230560323710558
Energy: 0.5468956043951928
Energy: 0.512385749015691
Energy: 0.5468956043951928
Energy: 0.5086603996519624
Energy: 0.5233736442363244
Energy: 0.5318820279357874
Energy: 0.5233736442371975
Energy: 0.5466758865045976
Energy: 0.5545581013975879
Energy: 0.5477441771765672
Energy: 0.5545581013984608
Energy: 0.5288983358789485
Energy: 0.5205895900394222
Energy: 0.6206963713664078
Energy: 0.5205895900376761
Energy: 0.6838273499818041
Energy: 0.5854897653197448
Energy: 0.5232054725805612
Energy: 0.5854897653188718
Energy: 0.5107506063475928
Energy: 0.5100300979343674
Energy: 0.6216909026510385
Energy: 0.5100300979335142
Energy: 0.6500210396103389
Energy: 0.5107432702213709
Energy: 0.5139862416951497
Energy: 0.510743270220498
Energy: 0.5247492961785489
Energy: 0.5516830642084503
Energy: 0.5244717572567408
Energy: 0.5516830642093231
Energy: 0.512827159645239
Energy: 0.5105852664769511
Energy: 0.6268671374137277
Energy: 0.5105852664778241
Energy: 0.5827250223361192
Energy: 0.5233966096515236
Energy: 0.5090654989981488
Energy: 0.5233966096523966
Energy: 0.5296106031877406
Energy: 0.5357596890808937
Energy: 0.6162579089852255
Energy: 0.5357596890808937
Energy: 0.6354947377719943
Energy: 0.576616326062314
Energy: 0.529041750729084
Energy: 0.5766163260614412
Energy: 0.511004292866184
Energy: 0.6054123424292712
Energy: 0.6164347925909835
Energy: 0.6054123424292712
Energy: 0.615161207165451
Energy: 0.5101801272499289
Energy: 0.5113187520760133
Energy: 0.5101801272499289
Energy: 0.5603477107743875
Energy: 0.5561153586421955
Energy: 0.5231197534784034
Energy: 0.5561153586430686
Energy: 0.5583076429407982
Energy: 0.5233765245835962
Energy: 0.5232817144304224
Energy: 0.5233765245844693
Energy: 0.5115954143204265
Energy: 0.5102666280097572
Energy: 0.5100021866940143
Energy: 0.51026662801063
Energy: 0.5213755705435485
Energy: 0.5698278730570853
Energy: 0.6453084831928517
Energy: 0.5698278730570853
Energy: 0.6420030309233247
Energy: 0.5210667199704269
Energy: 0.5281372148092307
Energy: 0.5210667199704269
Energy: 0.5317878692615233
Energy: 0.5545332518489706
Energy: 0.5827524804473608
Energy: 0.5545332518489706

minimum gb energy = 0.5086603996519624 eV
minimum distance =  2.60552639749429 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.5275887404719838
Energy: 0.5287756179717275
Energy: 0.6744610273808768
Energy: 0.5287756179704929
Energy: 0.6570917296698255
Energy: 0.5546701648522906
Energy: 0.523454125649626
Energy: 0.5546701648516732
Energy: 0.5158485585652006
Energy: 0.528892141302483
Energy: 0.5240287258064747
Energy: 0.5288921413031002
Energy: 0.5369205404870757
Energy: 0.557317836348778
Energy: 0.5229381710112994
Energy: 0.557317836348778
Energy: 0.5174408728718946
Energy: 0.547115715372447
Energy: 0.5318404246533638
Energy: 0.5471157153718296
Energy: 0.516475648619068
Energy: 0.5302592516707805
Energy: 0.6404869217991344
Energy: 0.5302592516683113
Energy: 0.5885271292992419
Energy: 0.581312485734959
Energy: 0.5367965971090832
Energy: 0.5813124857343417
Energy: 0.5164313328189547
Energy: 0.5285675867443761
Energy: 0.6668976068806426
Energy: 0.5285675867449934
Energy: 0.5898903253322639
Energy: 0.5465561940726755
Energy: 0.5246462846458461
Energy: 0.5465561940745274
Energy: 0.5170261333083231
Energy: 0.5631604115570371
Energy: 0.582068000140548
Energy: 0.563160411555185
Energy: 0.5313524669617444
Energy: 0.5292867740499667
Energy: 0.5384785590704124
Energy: 0.5292867740481149
Energy: 0.5400657009935252
Energy: 0.5472126647132628
Energy: 0.5392476335861028
Energy: 0.5472126647114111
Energy: 0.5330337307191438
Energy: 0.5293315671413015
Energy: 0.540416603663399
Energy: 0.5293315671413015
Energy: 0.526298272300949
Energy: 0.5220685386537987
Energy: 0.5395215136908126
Energy: 0.5220685386550332
Energy: 0.516981438411978
Energy: 0.6192431077521539
Energy: 0.5993263964224307
Energy: 0.6192431077521539
Energy: 0.6882825822435193
Energy: 0.5213993100020526
Energy: 0.5242489136470877
Energy: 0.521399310000818
Energy: 0.5167080346470313
Energy: 0.5468125394970873
Energy: 0.5903153358751618
Energy: 0.5468125394983219
Energy: 0.5264690719733077
Energy: 0.6083058194005937
Energy: 0.5392214319768563
Energy: 0.6083058193975072
Energy: 0.5167507764541667
Energy: 0.5305072867674978
Energy: 0.5383755089549808
Energy: 0.5305072867662632
Energy: 0.5170493351551995
Energy: 0.5480738425793926
Energy: 0.5393080430196633
Energy: 0.5480738425756889
Energy: 0.5316159013735565
Energy: 0.5370670706163477
Energy: 0.5244988835152895
Energy: 0.5370670706175823
Energy: 0.5168668057852246
Energy: 0.5289732427479079
Energy: 0.577671174290586
Energy: 0.5289732427417349
Energy: 0.6544562389590386
Energy: 0.5467112293099224
Energy: 0.5383017471324313
Energy: 0.5467112293093053
Energy: 0.5287725103906069
Energy: 0.5289389756272515
Energy: 0.6358116124095871
Energy: 0.52893897563219
Energy: 0.5434063607711952
Energy: 0.5480522886342929
Energy: 0.5359934745255431
Energy: 0.5480522886305892
Energy: 0.5368465079245742
Energy: 0.5315869667249133
Energy: 0.5297966756609233
Energy: 0.5315869667267653
Energy: 0.5173800300973919
Energy: 0.5597727687849564
Energy: 0.5825137696912283
Energy: 0.5597727687868082
Energy: 0.5373182966436877
Energy: 0.5468202824900111
Energy: 0.5230403067825361
Energy: 0.5468202824912457
Energy: 0.5152757563912871
Energy: 0.5292259798022212
Energy: 0.6051417285492738
Energy: 0.5292259798022212
Energy: 0.5334695065663835
Energy: 0.5399530812948762
Energy: 0.5236850984443591
Energy: 0.5399530812954934
Energy: 0.5152960412920304
Energy: 0.5289989174643133
Energy: 0.6231741009547285
Energy: 0.5289989174643133

minimum gb energy = 0.5152757563912871 eV
minimum distance =  2.57456991615579 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.5011012206877956
Energy: 0.48653281997721676
Energy: 0.654334393921669
Energy: 0.4865328199770017
Energy: 0.4751302061846037
Energy: 0.501473994573891
Energy: 0.5031993679554112
Energy: 0.5014739947058676
Energy: 0.4975298760484351
Energy: 0.5188563372545059
Energy: 0.5381112279509253
Energy: 0.5188563372546968
Energy: 0.5027489405549748
Energy: 0.5105894028898627
Energy: 0.49096280687722393
Energy: 0.5105894028915589
Energy: 0.5013559683322457
Energy: 0.4968474686599746
Energy: 0.48674120403186155
Energy: 0.4968474686599746
Energy: 0.4884353309333519
Energy: 0.5162537404559197
Energy: 0.4884591752974397
Energy: 0.5162537404563498
Energy: 0.48672331721904605
Energy: 0.4968388809753792
Energy: 0.5013438484781372
Energy: 0.4968388809753792
Energy: 0.4907300938893086
Energy: 0.5105759680804987
Energy: 0.5034895217270003
Energy: 0.5105759680807137
Energy: 0.5380948895157558
Energy: 0.5190229357141991
Energy: 0.5143306653748236
Energy: 0.5190229357139841

minimum gb energy = 0.4751302061846037 eV
minimum distance =  2.62645425333097 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.49891399337944087
Energy: 0.5093439328528867
Energy: 0.667475750904003
Energy: 0.5093439328523036
Energy: 0.5741655319393353
Energy: 0.5264410039317504
Energy: 0.4779459858019666
Energy: 0.5264410039311673
Energy: 0.48397895737577834
Energy: 0.503434852940035
Energy: 0.5756630491440199
Energy: 0.5034348529406181
Energy: 0.49029590347533664
Energy: 0.520467269988379
Energy: 0.484496606530093
Energy: 0.5204672699895453
Energy: 0.48974225958569323
Energy: 0.5260417829910538
Energy: 0.5709025126481642
Energy: 0.5260417829910538
Energy: 0.5041114167428046
Energy: 0.5105696126701919
Energy: 0.4773433169255154
Energy: 0.5105696126713581
Energy: 0.4829283904549904
Energy: 0.5245365157553913
Energy: 0.47809213137322354
Energy: 0.5245365157548081
Energy: 0.48052092863535245
Energy: 0.5114481496953794
Energy: 0.48830320048726894
Energy: 0.5114481496953794
Energy: 0.4897177594857784
Energy: 0.5249118228003617
Energy: 0.48352758551813735
Energy: 0.5249118228003617
Energy: 0.48707386921829404
Energy: 0.5245420845155039
Energy: 0.48721284218008454
Energy: 0.5245420845155039
Energy: 0.49712514334633484
Energy: 0.5105590169667225
Energy: 0.487484810638975
Energy: 0.5105590169661394
Energy: 0.4875707809367281
Energy: 0.5313569302458813
Energy: 0.5167050084415434
Energy: 0.5313569302464644
Energy: 0.5206242133723735
Energy: 0.5098789136652842
Energy: 0.5100100070658935
Energy: 0.509878913664118
Energy: 0.4902565484196603
Energy: 0.5107339847470683
Energy: 0.5402555593449923
Energy: 0.5107339847459021
Energy: 0.573410846420565
Energy: 0.5214785478283984
Energy: 0.48752653783151795
Energy: 0.5214785478301478
Energy: 0.4867016501570707
Energy: 0.5031119349190791
Energy: 0.49680995102492465
Energy: 0.503111934918496
Energy: 0.5715820025659916
Energy: 0.5003740534790397
Energy: 0.4853587735133424
Energy: 0.5003740534796228
Energy: 0.49108665184541195
Energy: 0.5100720606517893
Energy: 0.5496300773807172
Energy: 0.5100720606506232
Energy: 0.4865125837530397
Energy: 0.5250580502268887
Energy: 0.4783267365358527
Energy: 0.5250580502274718
Energy: 0.48288741854117817
Energy: 0.5393248139150698
Energy: 0.5004989238896486
Energy: 0.5393248139150698
Energy: 0.4892450828305522
Energy: 0.52017089944587
Energy: 0.48505032176413304
Energy: 0.5201708994452869
Energy: 0.49629493519702467
Energy: 0.5247604362379801
Energy: 0.4895420013923659
Energy: 0.5247604362385632
Energy: 0.4776467665780622
Energy: 0.5127377798043248
Energy: 0.47717310428939963
Energy: 0.5127377798049081
Energy: 0.5203090584205188
Energy: 0.5111674020685926
Energy: 0.48130099769890505
Energy: 0.5111674020697587
Energy: 0.5144804134904678
Energy: 0.5034268094615464
Energy: 0.4896852190263019
Energy: 0.5034268094609632
Energy: 0.503029169328226
Energy: 0.5111676662925688
Energy: 0.4896831159804931
Energy: 0.511167666293735
Energy: 0.47749665966800153
Energy: 0.515241649733796
Energy: 0.4997400064256315
Energy: 0.5152416497343792
Energy: 0.5101830945251462
Energy: 0.5245912959577316
Energy: 0.486753627433544
Energy: 0.5245912959577316
Energy: 0.4825356432698267
Energy: 0.5203540253390306
Energy: 0.5713272174968212
Energy: 0.5203540253390306
Energy: 0.5346081104459456
Energy: 0.5096784711953488
Energy: 0.4912806658058323
Energy: 0.5096784711970981
Energy: 0.4819096504531009
Energy: 0.4939894020887839
Energy: 0.5342700163170404
Energy: 0.49398940208995007
Energy: 0.5656682705237007
Energy: 0.5307813741606188
Energy: 0.4825362822348047
Energy: 0.5307813741617851
Energy: 0.4884738027894726
Energy: 0.5249956438157071
Energy: 0.4785651076617585
Energy: 0.5249956438174564

minimum gb energy = 0.47717310428939963 eV
minimum distance =  2.58945260335678 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.5492403011555825
Energy: 0.4872791423125166
Energy: 0.6702867707986668
Energy: 0.48727914231412917
Energy: 0.5114037668711738
Energy: 0.5075378937274798
Energy: 0.4711795302023616
Energy: 0.5075378937274798
Energy: 0.4637941378166457
Energy: 0.48564553629852253
Energy: 0.5442122069000873
Energy: 0.48564553629932883
Energy: 0.46814721630196093
Energy: 0.5074159036241332
Energy: 0.47971070729872006
Energy: 0.5074159036241332
Energy: 0.4570693613280817
Energy: 0.5274151720827619
Energy: 0.6179011925104272
Energy: 0.5274151720835681
Energy: 0.45504829236601807
Energy: 0.48640328168699615
Energy: 0.4770305386286233
Energy: 0.48640328168457747
Energy: 0.46500934770542535
Energy: 0.5322767451143477
Energy: 0.5515548196762105
Energy: 0.5322767451135415
Energy: 0.4655574133550089
Energy: 0.48667371832837675
Energy: 0.49269549287960723
Energy: 0.486673718329183
Energy: 0.48540299140351906
Energy: 0.48832696570590034
Energy: 0.48713688709298425
Energy: 0.48832696570509404
Energy: 0.4854871358459425
Energy: 0.4875651673308119
Energy: 0.5058793961126595
Energy: 0.4875651673308119
Energy: 0.46559044717872977
Energy: 0.4866385137562382
Energy: 0.4729752892999903
Energy: 0.4866385137562382
Energy: 0.46489421329045333
Energy: 0.5269146152082262
Energy: 0.5379009266369892
Energy: 0.52691461520742
Energy: 0.454339304797465
Energy: 0.48587399490498556
Energy: 0.47463292626468134
Energy: 0.48587399490579175
Energy: 0.45515329716817143
Energy: 0.4874821599546503
Energy: 0.5513680847840752
Energy: 0.4874821599562629
Energy: 0.47943028986280983
Energy: 0.508067290569931
Energy: 0.4746789154151981
Energy: 0.5080672905675123
Energy: 0.46379223072685394
Energy: 0.48551422202811517
Energy: 0.5427262635394752
Energy: 0.48551422202730904
Energy: 0.5435948689556064
Energy: 0.49360950254825287
Energy: 0.47082560766553483
Energy: 0.4936095025474466
Energy: 0.5492403011555825
Energy: 0.48727914231412917
Energy: 0.5739668295600485
Energy: 0.4872791423125166
Energy: 0.511403766868755
Energy: 0.5075378937274798
Energy: 0.4711795302023616
Energy: 0.5075378937282862
Energy: 0.4637941378166457
Energy: 0.48564553629932883
Energy: 0.5412489342771962
Energy: 0.4856455363001351
Energy: 0.4681472105365838
Energy: 0.5074159036249395
Energy: 0.47971070729952636
Energy: 0.5074159036241332
Energy: 0.4570693613280817
Energy: 0.5274151720835681
Energy: 0.5826160200432097
Energy: 0.5274151720835681
Energy: 0.4550482923644056
Energy: 0.48640328168699615
Energy: 0.4770305386278171
Energy: 0.48640328168457747
Energy: 0.46500934770542535
Energy: 0.5322767451135415
Energy: 0.4962668650619567
Energy: 0.5322767451127352

minimum gb energy = 0.454339304797465 eV
minimum distance =  2.6015518058779 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.48934271768651183
Energy: 0.4897794576203072
Energy: 0.6761592821368153
Energy: 0.48977945762180225
Energy: 0.5477850740491066
Energy: 0.4823307175460584
Energy: 0.471462697282708
Energy: 0.4823307175385834
Energy: 0.46856586710225856
Energy: 0.4824641835321439
Energy: 0.5757765851962829
Energy: 0.4824641835331405
Energy: 0.4893242035314131
Energy: 0.46760043081890557
Energy: 0.46892271915240835
Energy: 0.46760043081990227
Energy: 0.46470062610321766
Energy: 0.5160503509611399
Energy: 0.5743765684205691
Energy: 0.5160503509616382
Energy: 0.46360414586056253
Energy: 0.4752146040157788
Energy: 0.47671441904271494
Energy: 0.4752146040132872
Energy: 0.4719528487218337
Energy: 0.5051243972796693
Energy: 0.5047326350933807
Energy: 0.5051243972796693
Energy: 0.4634690731028657
Energy: 0.49868164133365694
Energy: 0.46737052889945374
Energy: 0.49868164133415516
Energy: 0.49131478256254124
Energy: 0.5026150281029795
Energy: 0.49900028257088397
Energy: 0.5026150281019829
Energy: 0.48990087076023375
Energy: 0.4982826785206267
Energy: 0.4705360283981994
Energy: 0.4982826785191317
Energy: 0.4680952828889763
Energy: 0.4849698265368204
Energy: 0.4680345360367436
Energy: 0.4849698265368204
Energy: 0.4704686858645189
Energy: 0.501411349067632
Energy: 0.47329070798676826
Energy: 0.5014113490666353
Energy: 0.46160285516696786
Energy: 0.49275861964922796
Energy: 0.47208137988606774
Energy: 0.49275861964972634
Energy: 0.4699176421300853
Energy: 0.5150075335787689
Energy: 0.502368413742167
Energy: 0.5150075335787689
Energy: 0.4717696174878042
Energy: 0.47306556692353435
Energy: 0.493662788139153
Energy: 0.4730655669220394
Energy: 0.4682733129520148
Energy: 0.4831395525240922
Energy: 0.5689659136387346
Energy: 0.4831395525225972
Energy: 0.48254875169446676
Energy: 0.47291563277603416
Energy: 0.4723634050636845
Energy: 0.4729156327795225
Energy: 0.46598252747899854
Energy: 0.4898559976792805
Energy: 0.5482612424077082
Energy: 0.4898559976777854
Energy: 0.5331612627514916
Energy: 0.5027432108430536
Energy: 0.46871389838128436
Energy: 0.5027432108380704
Energy: 0.4736948011316455
Energy: 0.48227075990626206
Energy: 0.49780141744674794
Energy: 0.4822707599072587
Energy: 0.5272617260476722
Energy: 0.4776749599178073
Energy: 0.4751906945919135
Energy: 0.477674959915814
Energy: 0.46641302364648424
Energy: 0.49086742634836866
Energy: 0.5492138947655258
Energy: 0.49086742634787045
Energy: 0.4845198431522571
Energy: 0.472581727606642
Energy: 0.4747787200876732
Energy: 0.472581727608137
Energy: 0.4686277588422775
Energy: 0.5063016673455728
Energy: 0.5579830796693254
Energy: 0.5063016673465693
Energy: 0.47951511860394136
Energy: 0.48995936452217703
Energy: 0.467153353923165
Energy: 0.48995936452068206
Energy: 0.4735508807060563
Energy: 0.5161130669285691
Energy: 0.4918108754725311
Energy: 0.5161130669280708
Energy: 0.5375453541060095
Energy: 0.4937804007445075
Energy: 0.46907967595530975
Energy: 0.4937804007445075
Energy: 0.49620962991036843
Energy: 0.5470727321593692
Energy: 0.4693969153787466
Energy: 0.5470727321593692
Energy: 0.49971817538155466
Energy: 0.5149864571034111
Energy: 0.4717410178599913
Energy: 0.5149864571039093
Energy: 0.47391981935362115
Energy: 0.49265561274565883
Energy: 0.4921095675250909
Energy: 0.49265561274665554
Energy: 0.46811949076344994
Energy: 0.5148294739804311
Energy: 0.4730761707218945
Energy: 0.514829473978936
Energy: 0.4693469582852943
Energy: 0.48519674819527525
Energy: 0.4661196100217256
Energy: 0.48519674819328196
Energy: 0.46945808344660156
Energy: 0.4988105381243337
Energy: 0.5551527863467237
Energy: 0.4988105381233371
Energy: 0.4965766457901724
Energy: 0.5567709532921049
Energy: 0.47409577302438877
Energy: 0.5567709532921049
Energy: 0.46602129617322724
Energy: 0.49070027471320576
Energy: 0.4863820938292183
Energy: 0.49070027471171074
Energy: 0.5066840586184989
Energy: 0.5059407649704701
Energy: 0.47111735861770165
Energy: 0.5059407649694736
Energy: 0.47488191695669
Energy: 0.473505870760903
Energy: 0.46530540796550546
Energy: 0.47350587076289635
Energy: 0.4895125532449799
Energy: 0.5165177570804901
Energy: 0.4749421428313493
Energy: 0.5165177570819851

minimum gb energy = 0.46160285516696786 eV
minimum distance =  2.60104317561922 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.42871492672160755
Energy: 0.42918415409518607
Energy: 0.6777377949535931
Energy: 0.42918415409518607
Energy: 0.4353361547688487
Energy: 0.4469142038284116
Energy: 0.43664041784048185
Energy: 0.44691420382971553
Energy: 0.43536967308505753
Energy: 0.5124939586462031
Energy: 0.716449810626705
Energy: 0.512493958644899
Energy: 0.42606326612391365
Energy: 0.44695954145498434
Energy: 0.436653185574253
Energy: 0.44695954145498434
Energy: 0.43699145672677286
Energy: 0.4670262872150439
Energy: 0.47097514907438487
Energy: 0.46702628721634787
Energy: 0.43535740668548745
Energy: 0.4293810665223406
Energy: 0.43181797756432366
Energy: 0.4293810665223406
Energy: 0.43562328131939676
Energy: 0.5141770801467975
Energy: 0.4295160595013155
Energy: 0.5141770801467975
Energy: 0.43263246841443287
Energy: 0.5128877437248635
Energy: 0.4366811030553305
Energy: 0.5128877437248635
Energy: 0.43670168290314393
Energy: 0.46646194962434456
Energy: 0.43935456195148115
Energy: 0.4664619496230407
Energy: 0.4485264384954544
Energy: 0.4654134636810881
Energy: 0.4299414516295715
Energy: 0.4654134636810881
Energy: 0.42906610422507346
Energy: 0.4471673517970906
Energy: 0.43520683398371696
Energy: 0.4471673517970906
Energy: 0.4291623289291416
Energy: 0.5125194455968125
Energy: 0.4367897425952974
Energy: 0.5125194455968125
Energy: 0.4370800726679643
Energy: 0.4297174389108289
Energy: 0.4267337612213385
Energy: 0.4297174389108289
Energy: 0.4303552226245116
Energy: 0.4650141522799316
Energy: 0.43057337457643485
Energy: 0.4650141522786277
Energy: 0.43121236271266156
Energy: 0.4296754371364169
Energy: 0.4370943139772893
Energy: 0.4296754371351131

minimum gb energy = 0.42606326612391365 eV
minimum distance =  2.62264475899139 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.43508799818814226
Energy: 0.41722079324557626
Energy: 0.661358502804791
Energy: 0.4172207932439368
Energy: 0.48982682802135846
Energy: 0.42852540768706476
Energy: 0.415302312970923
Energy: 0.4285254076854252
Energy: 0.41792409509811357
Energy: 0.41767182899101984
Energy: 0.5047031992737159
Energy: 0.41767182899484545
Energy: 0.42011625354750504
Energy: 0.4286677585258279
Energy: 0.4124025717150459
Energy: 0.42866775852364186
Energy: 0.4244221665872259
Energy: 0.44558636603719465
Energy: 0.444557146757208
Energy: 0.44558636603336915
Energy: 0.4120225335807299
Energy: 0.42895370040498987
Energy: 0.42448401089744353
Energy: 0.42895370040007125
Energy: 0.4239820267101883
Energy: 0.4468657959885811
Energy: 0.6016189628698481
Energy: 0.4468657959858486
Energy: 0.4152776830648212
Energy: 0.4286901633371685
Energy: 0.42446066809096317
Energy: 0.42869016333607546
Energy: 0.42445592472229354
Energy: 0.4458866431619309
Energy: 0.5150818658318306
Energy: 0.4458866431602914
Energy: 0.4895037577293885
Energy: 0.456355118859387
Energy: 0.41244341090284214
Energy: 0.45635511885774743
Energy: 0.42450958897652996
Energy: 0.4568362910799513
Energy: 0.42493272931556125
Energy: 0.4568362910815908
Energy: 0.5414536313486588
Energy: 0.456310649825866
Energy: 0.41128527414784644
Energy: 0.45631064982313346
Energy: 0.4415787595224586
Energy: 0.4261904306742291
Energy: 0.42393967729968657
Energy: 0.4261904306720431
Energy: 0.5592685479675669
Energy: 0.45647100104019683
Energy: 0.41153403449309167
Energy: 0.4564710010396504
Energy: 0.4244438942156083
Energy: 0.4170633009933809
Energy: 0.41930503380383166
Energy: 0.4170633009955669
Energy: 0.4162872455080668
Energy: 0.4567021171850613
Energy: 0.41345240648815024
Energy: 0.4567021171856078
Energy: 0.4232377725269456
Energy: 0.4422735853659977
Energy: 0.41457281403954366
Energy: 0.4422735853643581
Energy: 0.42387647954660257
Energy: 0.44441134253838066
Energy: 0.43136820748579596
Energy: 0.44441134253400866
Energy: 0.42316001090982885
Energy: 0.42659781608317543
Energy: 0.4309729250563505
Energy: 0.4265978160788034
Energy: 0.4231447383558255
Energy: 0.4266829587186898
Energy: 0.43117336544861695
Energy: 0.42668295871595724
Energy: 0.42387686123719925
Energy: 0.4443920406343682
Energy: 0.43130296656386036
Energy: 0.44439204063218213
Energy: 0.4230893675859059
Energy: 0.44233958425731795
Energy: 0.4148982761291873
Energy: 0.4423395842589575
Energy: 0.4162687614986072
Energy: 0.4565944154824836
Energy: 0.41334199879163946
Energy: 0.4565944154863091
Energy: 0.42443499468603374
Energy: 0.41704454462479584
Energy: 0.416163734715535
Energy: 0.41704454462424934
Energy: 0.5591087985861691
Energy: 0.45645787886880246
Energy: 0.41148610934602853
Energy: 0.456457878868256
Energy: 0.441511825580329
Energy: 0.4262191462795652
Energy: 0.4266816762150416
Energy: 0.4262191462795652
Energy: 0.5413265462689313
Energy: 0.4563590399852471
Energy: 0.4113994314033445
Energy: 0.45635903998360755
Energy: 0.4244964052908747
Energy: 0.45685837922194017
Energy: 0.420448507192
Energy: 0.4568583792208471
Energy: 0.4894013311033912
Energy: 0.45638992938936973
Energy: 0.4124413928527356
Energy: 0.45638992939314565
Energy: 0.42444438923582073
Energy: 0.4458240021767781
Energy: 0.541961546754791
Energy: 0.44582400217459206
Energy: 0.41446195801288527
Energy: 0.42874075440366416
Energy: 0.42452960660465205
Energy: 0.4287407544080363
Energy: 0.4245357591732482
Energy: 0.44670584412506564
Energy: 0.6018223106483809
Energy: 0.4467058441239727
Energy: 0.4119385020777397
Energy: 0.4290068164214219
Energy: 0.42459441422110483
Energy: 0.42900681642415445
Energy: 0.42446904157468607
Energy: 0.4455366643216146
Energy: 0.44550735612979364
Energy: 0.4455366643199751
Energy: 0.41986684163089655
Energy: 0.4286268438044797
Energy: 0.4122361546794443
Energy: 0.4286268438044797

minimum gb energy = 0.41128527414784644 eV
minimum distance =  2.63238803806137 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.4631748915437571
Energy: 0.4098769334819883
Energy: 0.6475828458226838
Energy: 0.4098769334819883
Energy: 0.4855731755994568
Energy: 0.3943218562545756
Energy: 0.37778088301957996
Energy: 0.39432185625551586
Energy: 0.4364056946328906
Energy: 0.4461223976753809
Energy: 0.5303990677198658
Energy: 0.44612239767632117
Energy: 0.43917136736564133
Energy: 0.3944700122248222
Energy: 0.38382320243187534
Energy: 0.3944700122248222
Energy: 0.38206762899872265
Energy: 0.39421686298988146
Energy: 0.45210013866573345
Energy: 0.39421686298988146
Energy: 0.38503803600357506
Energy: 0.3944520045020114
Energy: 0.4374765352333149
Energy: 0.39445200450295165
Energy: 0.37607148316018835
Energy: 0.4211448866068079
Energy: 0.5504012939637853
Energy: 0.4211448866068079
Energy: 0.3723332196375304
Energy: 0.3947854538571685
Energy: 0.3960543806105307
Energy: 0.3947854538571685
Energy: 0.378051313736177
Energy: 0.3943487581048852
Energy: 0.5431132771977749
Energy: 0.39434875810394493
Energy: 0.5309527070238313
Energy: 0.43714998331924515
Energy: 0.43726635255891255
Energy: 0.4371499833183049
Energy: 0.38235934490654155
Energy: 0.43395215323637304
Energy: 0.4393017904753056
Energy: 0.4339521532373133
Energy: 0.5162996498839246
Energy: 0.39450862924241836
Energy: 0.3839850504271026
Energy: 0.39450862924335856
Energy: 0.43921087915536744
Energy: 0.39435728974714584
Energy: 0.38772293912764166
Energy: 0.39435728974808604
Energy: 0.5510577277436643
Energy: 0.4166720163719572
Energy: 0.3742641793292979
Energy: 0.41667201637289747
Energy: 0.46627673058358365
Energy: 0.416850257088814
Energy: 0.37699339712541435
Energy: 0.416850257088814
Energy: 0.46865690717302927
Energy: 0.39440620073663624
Energy: 0.37725357446976343
Energy: 0.394406200735696
Energy: 0.43925083242011054
Energy: 0.4382071160538748
Energy: 0.3693935961587238
Energy: 0.4382071160529346
Energy: 0.44005251784660954
Energy: 0.47757887618626743
Energy: 0.38190649205420835
Energy: 0.4775788761853272
Energy: 0.38227061011273367
Energy: 0.3948405640198898
Energy: 0.3797559926818509
Energy: 0.39484056401894957
Energy: 0.37970878467651614
Energy: 0.39502093417087536
Energy: 0.43987670587577266
Energy: 0.39502093417087536

minimum gb energy = 0.3693935961587238 eV
minimum distance =  2.64137157761137 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.419121839463877
Energy: 0.35622169659144737
Energy: 0.6277798013746148
Energy: 0.35622169659144737
Energy: 0.5525222056773852
Energy: 0.3566600792809171
Energy: 0.3499725175087178
Energy: 0.3566600792809171
Energy: 0.3944736043251321
Energy: 0.35342195305434415
Energy: 0.4628996678836032
Energy: 0.35342195305360996
Energy: 0.46722140709739207
Energy: 0.3649629078954035
Energy: 0.3497912944123625
Energy: 0.36496290789760616
Energy: 0.35543682050348924
Energy: 0.3563507456581351
Energy: 0.3991893784457534
Energy: 0.35635074565960356
Energy: 0.37926884060212923
Energy: 0.353483618837985
Energy: 0.35557398924220557
Energy: 0.3534836188401876
Energy: 0.3496835796358077
Energy: 0.3458621182516097
Energy: 0.42548108290581743
Energy: 0.34586211825234386
Energy: 0.3414489310826156
Energy: 0.36920443942380343
Energy: 0.39522017757351563
Energy: 0.3692044394245376
Energy: 0.34933048630634683
Energy: 0.3595376229162315
Energy: 0.6218717482251571
Energy: 0.3595376229169657
Energy: 0.33467401752564463
Energy: 0.34604038078294064
Energy: 0.3696849759307538
Energy: 0.34604038078367483
Energy: 0.3498779329507099
Energy: 0.3459129877575108
Energy: 0.5140943316781593
Energy: 0.345912987758245
Energy: 0.46407110794418016
Energy: 0.4044219668059617
Energy: 0.39523088177908366
Energy: 0.4044219668066959
Energy: 0.35086652407921914
Energy: 0.3651474791643358
Energy: 0.5460973206540164
Energy: 0.36514747916727264
Energy: 0.4548669170255251
Energy: 0.38073048963720213
Energy: 0.35736476904028186
Energy: 0.3807304896379363
Energy: 0.35770234066231094
Energy: 0.3456583950612754
Energy: 0.3851557501849411
Energy: 0.34565839506274376
Energy: 0.4952554271727431
Energy: 0.40523320148560377
Energy: 0.3493286948208408
Energy: 0.40523320148707215
Energy: 0.3977849361312677
Energy: 0.36911478518156
Energy: 0.3786588238241605
Energy: 0.3691147851822942
Energy: 0.4901942759870325
Energy: 0.3564532189460008
Energy: 0.3483062478488239
Energy: 0.35645321894673493
Energy: 0.42272561850547624
Energy: 0.3531685719397662
Energy: 0.3381780763324994
Energy: 0.353168571939032
Energy: 0.5534490412140811
Energy: 0.4045724892642575
Energy: 0.35200865062294523
Energy: 0.40457248926278905
Energy: 0.3976829860591986
Energy: 0.4052888117475696
Energy: 0.3373007901591837
Energy: 0.4052888117483037
Energy: 0.39999744573421897
Energy: 0.365355517642977
Energy: 0.3520490268155116
Energy: 0.365355517642977
Energy: 0.3578185901432773
Energy: 0.38148406444516075
Energy: 0.45488160304752295
Energy: 0.38148406444442656
Energy: 0.3885824453593213
Energy: 0.4045151649069195
Energy: 0.35519082848114986
Energy: 0.4045151649069195
Energy: 0.34913090760562054
Energy: 0.4033246902082032
Energy: 0.49647526379959467
Energy: 0.4033246902067348
Energy: 0.33913263098591234
Energy: 0.3694258855550583
Energy: 0.3988806362154172
Energy: 0.3694258855550583

minimum gb energy = 0.33467401752564463 eV
minimum distance =  2.64828918454072 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.4638615420659639
Energy: 0.32968069062316235
Energy: 0.6138384628568703
Energy: 0.3296806906249681
Energy: 0.4674680164026317
Energy: 0.32147235035889365
Energy: 0.317998542491332
Energy: 0.3214723503576898
Energy: 0.3285758125341162
Energy: 0.31668497219050173
Energy: 0.42120094810155434
Energy: 0.3166849721911037
Energy: 0.45214000577834845
Energy: 0.32180534892015333
Energy: 0.3179952023269236
Energy: 0.3218053489195514
Energy: 0.31501862498782085
Energy: 0.33811057356614904
Energy: 0.33200666716735217
Energy: 0.33811057356735286
Energy: 0.38568147127179964
Energy: 0.32179436817436047
Energy: 0.31793848454747764
Energy: 0.32179436817436047
Energy: 0.3174155907061235
Energy: 0.3215837616148917
Energy: 0.3347600083331763
Energy: 0.3215837616148917
Energy: 0.3098470775826486
Energy: 0.32910067658156206
Energy: 0.31560158738996597
Energy: 0.32910067658216396
Energy: 0.31963729105275396
Energy: 0.3301725534490781
Energy: 0.43140797004961334
Energy: 0.3301725534520878
Energy: 0.3094480747473376
Energy: 0.3169274437768742
Energy: 0.32894497326806305
Energy: 0.3169274437750684
Energy: 0.31739895695385895
Energy: 0.32190318708914084
Energy: 0.5257993907219084
Energy: 0.32190318708974275
Energy: 0.3095474082211107
Energy: 0.33000537627717486
Energy: 0.46394159024486115
Energy: 0.33000537627657295
Energy: 0.3196386450140497
Energy: 0.329812462208258
Energy: 0.5590290350505261
Energy: 0.329812462208258
Energy: 0.41807960917751247
Energy: 0.3581809863040507
Energy: 0.32903786672809654
Energy: 0.3581809863040507
Energy: 0.31736821286151545
Energy: 0.3216647750311092
Energy: 0.4517933401056774
Energy: 0.3216647750305073
Energy: 0.40677669823101775
Energy: 0.32896799514949737
Energy: 0.3156895190213418
Energy: 0.3289679951488954
Energy: 0.319622309351735
Energy: 0.3285065283403329
Energy: 0.42305925367085256
Energy: 0.3285065283403329
Energy: 0.403400917501214
Energy: 0.3582698045245028
Energy: 0.31800387367520194
Energy: 0.35826980452510476
Energy: 0.317464339051169
Energy: 0.3289115532375936
Energy: 0.3101751303056776
Energy: 0.3289115532399739
Energy: 0.40631971667244493
Energy: 0.3288394406026174
Energy: 0.31963491102115615
Energy: 0.3288394406044231
Energy: 0.3307624269932574
Energy: 0.3284839637363837
Energy: 0.31103777283324924
Energy: 0.32848396373758754
Energy: 0.5249127377696445
Energy: 0.338420817810566
Energy: 0.3180136107560936
Energy: 0.3384208178093622
Energy: 0.4648306299216181
Energy: 0.3286338205424305
Energy: 0.30976785318578687
Energy: 0.32863382053821705
Energy: 0.46986844107549985
Energy: 0.32855932894080886
Energy: 0.3196457413757561
Energy: 0.3285593289384012
Energy: 0.330606589426356
Energy: 0.3564957158780705
Energy: 0.30944256615516025
Energy: 0.3564957158798763
Energy: 0.45906151844381793
Energy: 0.33848620483790776
Energy: 0.3180243477571993
Energy: 0.33848620484452896
Energy: 0.3175156859748302
Energy: 0.3289870361267575
Energy: 0.40669725814379193
Energy: 0.3289870361255537
Energy: 0.3183534881867612
Energy: 0.32842643242605657
Energy: 0.3195700586801407
Energy: 0.32842643242605657
Energy: 0.319649915738201
Energy: 0.3566793612930346
Energy: 0.4035255424868614
Energy: 0.35667936129423844
Energy: 0.3115525287621949
Energy: 0.3483751227441835
Energy: 0.32018868139119155
Energy: 0.3483751227435815
Energy: 0.3214510172938688
Energy: 0.32875827116904227
Energy: 0.40619704890475594
Energy: 0.32875827116844036
Energy: 0.30949761813542653
Energy: 0.33363641607091377
Energy: 0.33353893515526606
Energy: 0.3336364160715157

minimum gb energy = 0.30944256615516025 eV
minimum distance =  2.63896069699932 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.4245170004418933
Energy: 0.3046133388777538
Energy: 0.6030127867110422
Energy: 0.30461333887724396
Energy: 0.5736632583108684
Energy: 0.30653195198950445
Energy: 0.3028920349981622
Energy: 0.30653195198899447
Energy: 0.3131673762112502
Energy: 0.3023813252653055
Energy: 0.37459852198035376
Energy: 0.3023813252653055
Energy: 0.5151059272338426
Energy: 0.3053069931642572
Energy: 0.302926007063514
Energy: 0.3053069931617076
Energy: 0.30088065799067093
Energy: 0.30780156089434796
Energy: 0.30385955593772834
Energy: 0.3078015608928182
Energy: 0.4104930483335087
Energy: 0.30221630306639263
Energy: 0.30294220389715576
Energy: 0.3022163030694522
Energy: 0.30238786245130034
Energy: 0.307630718357327
Energy: 0.30587539681793985
Energy: 0.3076307183644659
Energy: 0.3512540614982639
Energy: 0.30765387091233054
Energy: 0.3027686997276281
Energy: 0.3076538709138603
Energy: 0.3041531542350106
Energy: 0.3087362040531045
Energy: 0.42107728534041844
Energy: 0.3087362040581573
Energy: 0.2900734000947575
Energy: 0.3060488696496895
Energy: 0.30124007554455096
Energy: 0.30604886965019945
Energy: 0.3024686030232514
Energy: 0.3028059967068416
Energy: 0.47749837530862677
Energy: 0.3028059967068416
Energy: 0.2926819689563245
Energy: 0.3023684282772593
Energy: 0.31362776767797834
Energy: 0.30236842827674937
Energy: 0.3038385099067132
Energy: 0.3091145819316775
Energy: 0.5608114001941029
Energy: 0.3091145819337172
Energy: 0.2898542128191625
Energy: 0.30537899558696896
Energy: 0.4249054527506086
Energy: 0.30537899559308795
Energy: 0.3024840730767397
Energy: 0.3057446712365436
Energy: 0.535148357237258
Energy: 0.3057446712370535
Energy: 0.3826314773469068
Energy: 0.3030129059693131
Energy: 0.31363953433032904
Energy: 0.30301290596880315
Energy: 0.3037267618652311
Energy: 0.308148341400022
Energy: 0.5041836866380875
Energy: 0.30814834139900216
Energy: 0.3759388354968022
Energy: 0.3062075479755687
Energy: 0.301173505935546
Energy: 0.306207547973529
Energy: 0.3024323947657246
Energy: 0.3053335934066354
Energy: 0.4203709789095298
Energy: 0.3053335934081652
Energy: 0.37259159650176576
Energy: 0.302189210301538
Energy: 0.30297836598152617
Energy: 0.302189210301028
Energy: 0.3038666184199122
Energy: 0.3174492762653649
Energy: 0.4182229316350839
Energy: 0.3174492762694443
Energy: 0.3700572583334794
Energy: 0.3076445303716453
Energy: 0.3057190449425656
Energy: 0.30764453037266515
Energy: 0.3024356735447202
Energy: 0.3061781706333036
Energy: 0.30180640124135005
Energy: 0.3061781706317738
Energy: 0.4883242255959091
Energy: 0.30205886183452774
Energy: 0.3029606835084687
Energy: 0.3020588618284087
Energy: 0.31473136488118963
Energy: 0.3182840375575915
Energy: 0.2900770357543775
Energy: 0.3182840375581014
Energy: 0.4855429593159878
Energy: 0.30743446531563245
Energy: 0.30583738441425795
Energy: 0.3074344653151225
Energy: 0.42562203348087296
Energy: 0.3016610374600695
Energy: 0.2898723390930993
Energy: 0.301661037524783
Energy: 0.5348262311639859
Energy: 0.30221628235094206
Energy: 0.3027611940275425
Energy: 0.3022162823519619
Energy: 0.3147156254144296
Energy: 0.31769228835983604
Energy: 0.30070078194557887
Energy: 0.31769228835932606
Energy: 0.4271044911495296
Energy: 0.3081536140807008
Energy: 0.30581608743574773
Energy: 0.30815361407968095
Energy: 0.3023375998411236
Energy: 0.30571744956513724
Energy: 0.38544421737256185
Energy: 0.30571744976289345
Energy: 0.4178782928706005
Energy: 0.30623688341947525
Energy: 0.30297832451748014
Energy: 0.3062368834184554
Energy: 0.3039628654180789
Energy: 0.3159818007066156
Energy: 0.37988685947390155
Energy: 0.3159818007066156
Energy: 0.29718994902023266
Energy: 0.3181894151775159
Energy: 0.3057319442593697
Energy: 0.3181894151754763
Energy: 0.29567510060414043
Energy: 0.3043465273119698
Energy: 0.3776333773864885
Energy: 0.3043465273119698
Energy: 0.29456219305223175
Energy: 0.3064583059958124
Energy: 0.30406705142871393
Energy: 0.30645830599377283
Energy: 0.30379794735162896
Energy: 0.3176178078627179
Energy: 0.48615955725984744
Energy: 0.31761780786118815

minimum gb energy = 0.2898542128191625 eV
minimum distance =  2.6430485377722 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.43620342725889766
Energy: 0.30366230828790397
Energy: 0.5784929484589916
Energy: 0.30366230828746166
Energy: 0.5195879388505406
Energy: 0.29657047022232325
Energy: 0.27845740001782787
Energy: 0.29657047022276545
Energy: 0.4180801850351145
Energy: 0.3003052806216843
Energy: 0.40862837084449355
Energy: 0.30030528062079986
Energy: 0.49889033852098275
Energy: 0.2938907947172262
Energy: 0.27850781864766083
Energy: 0.29389079471811064
Energy: 0.3199567663873303
Energy: 0.28279934997603173
Energy: 0.31120880366441356
Energy: 0.28279934997603173
Energy: 0.4466378029462179
Energy: 0.2989443489406186
Energy: 0.27807935007456064
Energy: 0.29894434894017635
Energy: 0.30342373578564247
Energy: 0.3031613282863963
Energy: 0.3151336034310066
Energy: 0.30316132839689963
Energy: 0.3932192440465787
Energy: 0.29268410699581676
Energy: 0.28220991630555886
Energy: 0.2926841069980281
Energy: 0.2819503598574542
Energy: 0.2845824001178415
Energy: 0.3897587926861766
Energy: 0.28458240012005287
Energy: 0.3400533858439752
Energy: 0.3003231848115875
Energy: 0.3038052582633802
Energy: 0.300323184810703
Energy: 0.27910192256706196
Energy: 0.2935644119991229
Energy: 0.45771803566948804
Energy: 0.2935644120013342
Energy: 0.2871973894914124
Energy: 0.29755985869124674
Energy: 0.3203845149463656
Energy: 0.29755985869124674
Energy: 0.2781271007081835
Energy: 0.28430161153509215
Energy: 0.5183532838471339
Energy: 0.2843016115355344
Energy: 0.26187701900845184
Energy: 0.3002630657942641
Energy: 0.4180078028112074
Energy: 0.3002630657978021
Energy: 0.27953889400728416
Energy: 0.293521677015183
Energy: 0.5490583698536232
Energy: 0.29352167701429854
Energy: 0.26144701646371
Energy: 0.29671065695591947
Energy: 0.4020091327257495
Energy: 0.29671065689404413
Energy: 0.27803993449170966
Energy: 0.28511178837899936
Energy: 0.5442626868641514
Energy: 0.2851117883785571
Energy: 0.3051608635730503
Energy: 0.3000733206418758
Energy: 0.4180662062164686
Energy: 0.30007332064054903
Energy: 0.27903624212184536
Energy: 0.29392398322902336
Energy: 0.4985841024386631
Energy: 0.29392398322858104
Energy: 0.34002900333839936
Energy: 0.2976888199381999
Energy: 0.32037582611956483
Energy: 0.2976888199395266
Energy: 0.2785587004399171
Energy: 0.28901162043212725
Energy: 0.470161162169274
Energy: 0.28901162043168493
Energy: 0.36018512003504
Energy: 0.2938610663640114
Energy: 0.3038148500871499
Energy: 0.29386106650547256
Energy: 0.2829979122563962
Energy: 0.29262144250311234
Energy: 0.39323648604360956
Energy: 0.29262144250355465
Energy: 0.36057972336787325
Energy: 0.30282377142005557
Energy: 0.2827712414837729
Energy: 0.30282377141961325
Energy: 0.30513043759681246
Energy: 0.2936454040664205
Energy: 0.36445359499941027
Energy: 0.29364540406774725
Energy: 0.45749307816071666
Energy: 0.2938721127521518
Energy: 0.2794617958000103
Energy: 0.2938721127539208
Energy: 0.3215110830675957
Energy: 0.2927420420564174
Energy: 0.28725810994780604
Energy: 0.29274204205376386
Energy: 0.46447795839035144
Energy: 0.30312792037364833
Energy: 0.2783819564451339
Energy: 0.30312792036701447
Energy: 0.4178949246864987
Energy: 0.300298438461698
Energy: 0.28670782517545684
Energy: 0.30029843846612053
Energy: 0.5491180464578765
Energy: 0.29402656451093695
Energy: 0.2792075632438821
Energy: 0.294026564518013
Energy: 0.43651494745236463
Energy: 0.2985529654429614
Energy: 0.26094683947597136
Energy: 0.2985529654429614
Energy: 0.5117066303231309
Energy: 0.3027061330513546
Energy: 0.2781816673796911
Energy: 0.30270613305179683
Energy: 0.41817375623288755
Energy: 0.29836538794907325
Energy: 0.26149476364364715
Energy: 0.29836538794863093
Energy: 0.49879384957965317
Energy: 0.29280793361401247
Energy: 0.2794119949583296
Energy: 0.2928079336312403
Energy: 0.32147024123199713
Energy: 0.29264184505295815
Energy: 0.33979920157604365
Energy: 0.2926418450534004
Energy: 0.4023995722307959
Energy: 0.30860085684997524
Energy: 0.2795187006247416
Energy: 0.30860085684997524
Energy: 0.30491621669733504
Energy: 0.2927461440002812
Energy: 0.36204072907566504
Energy: 0.2927461439967432
Energy: 0.3932270682753551
Energy: 0.29268760943682043
Energy: 0.2815180164911665
Energy: 0.2926876094354937
Energy: 0.28284930110731743
Energy: 0.2926569295309766
Energy: 0.36056917277930917
Energy: 0.29265692953053435
Energy: 0.29328008647978315
Energy: 0.31355742448243096
Energy: 0.30604644884903665
Energy: 0.31355742448243096
Energy: 0.27806070874125305
Energy: 0.2927065130732595
Energy: 0.4573824221432289
Energy: 0.2927065130745862
Energy: 0.28713546762715325
Energy: 0.29270764265240684
Energy: 0.32321041262834005
Energy: 0.2927076426519646
Energy: 0.278574747096311
Energy: 0.29269547994730516
Energy: 0.4643916787006473
Energy: 0.2926954799450939

minimum gb energy = 0.26094683947597136 eV
minimum distance =  2.65399355526533 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.012448642285612392
Energy: 0.014041761287485702
Energy: 0.5607481010162437
Energy: 0.014041761287164608
Energy: 0.37641262299933004
Energy: 0.15084564468155123
Energy: 0.15068620146126593
Energy: 0.15084564468121123
Energy: 0.012448642285612392
Energy: 0.014041761287485702
Energy: 0.5607481010165648
Energy: 0.014041761287164608
Energy: 0.37641262299965117
Energy: 0.15084564468155123
Energy: 0.15068620146094483
Energy: 0.15084564468089015
Energy: 0.012448642285612392
Energy: 0.014041761288146777
Energy: 0.5607481010169046
Energy: 0.014041761287485702
Energy: 0.37641262299933004
Energy: 0.15084564468155123
Energy: 0.15068620146160594
Energy: 0.15084564468121123

minimum gb energy = 0.012448642285612392 eV
minimum distance =  2.90228302177758 Angstroms
sigma value = 1