Model name: model_name=EAM_Dynamo_SongMendelev_2021_AlSm__MO_722733117926_000
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=4.044527357816695
cohesive_energy=3.312098846316254
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.77775771743116e-19, 3.2567604656981396e-19, 3.5641700964637196e-19, 3.7959249465718196e-19, 3.9813288266582995e-19, 4.13199751731966e-19, 4.26271910888772e-19, 4.38153652806516e-19, 4.49003592971964e-19, 4.589434968093e-19, 4.68063086210028e-19, 4.763703720573179e-19, 4.83863752174536e-19, 4.90713057284886e-19, 4.97200270475952e-19, 5.035128464139119e-19, 5.09645978568864e-19, 5.15413814451264e-19, 5.20489510027776e-19, 5.24567049561306e-19, 5.275150545678659e-19, 5.29373579463306e-19, 5.3032847673717e-19, 5.30615266354656e-19, 5.3028682014468595e-19, 5.290483376066039e-19, 5.2616281748877e-19, 5.20244377002774e-19, 5.0925184311689995e-19, 4.906505723961599e-19, 4.61470129361118e-19, 4.18238597245896e-19, 3.5692810399261796e-19, 2.7297885490091996e-19, 1.6145935029134997e-19, 1.75970264065488e-20, -1.6201530558334799e-19, -3.7687680526255195e-19, -6.1755097269213e-19, -8.55725744572668e-19, -1.024910790593166e-18, -9.81241864256862e-19, -4.21680072655728e-19, 1.2872832361770058e-18, 5.47316355587472e-18, 1.496674904827734e-17, 3.60159694263396e-17, 8.30835930563478e-17, 1.9182059750565e-16, 4.575271726648439e-16, 1.1634349823688059e-15, 3.2800240704238195e-15, 1.0877946213010319e-14, 4.6983349139059796e-14]
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: 0.010205420255097243
Energy: 0.052792452224334326
Energy: 0.23579913282407322
Energy: 0.010729432956670905
Energy: 0.052792452224334326
Energy: 0.38828697769475823
Energy: 0.052792452224334326
Energy: 0.38828697769523146
Energy: 0.23579913282407322
Energy: 0.052792452223833254
Energy: 0.010205420255097243
Energy: 0.052792452224334326
Energy: 0.010729432956169835
Energy: 0.38828697769523146
Energy: 0.052792452224334326
Energy: 0.38828697769475823

minimum gb energy = 0.010205420255097243 eV
minimum distance =  2.8368232101623 Angstroms
sigma value = 1


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

Energy: 0.5851553455568514
Energy: 0.5175661259110793
Energy: 0.5189077577460534
Energy: 0.475986923593822
Energy: 0.4561602090885732
Energy: 0.5151419816204142
Energy: 0.45703174707188726
Energy: 0.5151419816185911
Energy: 0.51788206158033
Energy: 0.51776692780073
Energy: 0.6447479848265913
Energy: 0.51776692780073
Energy: 0.45820051665097966
Energy: 0.4581156505436658
Energy: 0.45684081935599374
Energy: 0.4581156505412351
Energy: 0.5450204024207311
Energy: 0.4566397655826563
Energy: 0.458411176187656
Energy: 0.4566397655826563
Energy: 0.44519125478659366
Energy: 0.4782205014712733
Energy: 0.456904216685575
Energy: 0.4782205014700579
Energy: 0.4474970732740629
Energy: 0.4464956930281196
Energy: 0.5448030070735318
Energy: 0.4464956930281196
Energy: 0.46033586132964766
Energy: 0.4464673740229267
Energy: 0.4832808340938333
Energy: 0.4464673740211036
Energy: 0.4784496337360756
Energy: 0.5106328484245225
Energy: 0.48074886830085756
Energy: 0.5106328484257379
Energy: 0.5013362029061517
Energy: 0.48786874540874187
Energy: 0.4758320400312036
Energy: 0.4878687454075265
Energy: 0.504322418862249
Energy: 0.5107404742488995
Energy: 0.47885140692812955
Energy: 0.5107404742482918
Energy: 0.4598059638989522
Energy: 0.5280770762866608
Energy: 0.48301076744173216
Energy: 0.5280770762878763
Energy: 0.4459152270745236
Energy: 0.4469938921697286
Energy: 0.5865691714742133
Energy: 0.4469938921685133
Energy: 0.44525230975772406
Energy: 0.4482134699523621
Energy: 0.4720578293747619
Energy: 0.4482134699553729
Energy: 0.585954063538515
Energy: 0.45609323667872037
Energy: 0.4569974746328486
Energy: 0.4560932366768973
Energy: 0.4653940593063238
Energy: 0.4566206359799089
Energy: 0.45617858486791496
Energy: 0.4566206359841627
Energy: 0.5183690328708198
Energy: 0.517758942564044
Energy: 0.7039174276232293
Energy: 0.5177589425652593
Energy: 0.4571174051837835
Energy: 0.45757372715089767
Energy: 0.43702396386965797
Energy: 0.4575737271533285
Energy: 0.6453216366322363
Energy: 0.5177503896180642
Energy: 0.5193269214740337
Energy: 0.517750389620495
Energy: 0.44507901868852884
Energy: 0.4464474678865777
Energy: 0.45775326219898765
Energy: 0.44644746788293155
Energy: 0.45881295616790874
Energy: 0.4567123254636889
Energy: 0.545280985735589
Energy: 0.4567123254661197
Energy: 0.45739281650005337
Energy: 0.4569090319224755
Energy: 0.44545838886723066
Energy: 0.4569090319255139
Energy: 0.5448411698104002
Energy: 0.44680571805261965
Energy: 0.447519643047878
Energy: 0.4468057180514043
Energy: 0.48289438196149653
Energy: 0.4460850998515826
Energy: 0.4600087744882099
Energy: 0.44608509985097494
Energy: 0.4811028421099093
Energy: 0.5090180563395703
Energy: 0.4785055095194241
Energy: 0.5090180563401779
Energy: 0.4746922791414286
Energy: 0.4876428029325352
Energy: 0.5024554622367847
Energy: 0.4876428029301044
Energy: 0.478703215270668
Energy: 0.5104889351115005
Energy: 0.507022187598891
Energy: 0.5104889351139312
Energy: 0.4831466017549042
Energy: 0.48980801472219904
Energy: 0.4618249243583685
Energy: 0.4898080147228068
Energy: 0.5892542015008114
Energy: 0.44720387141605983
Energy: 0.44563283032335194
Energy: 0.44720387141545215
Energy: 0.47463832114193666
Energy: 0.4483559896294905
Energy: 0.44514283497118723
Energy: 0.44835598963009826
Energy: 0.4565886607777469
Energy: 0.4560950059358185
Energy: 0.5882098493531909
Energy: 0.45609500593278
Energy: 0.45624389237545215
Energy: 0.4570473791691959
Energy: 0.46503723881010794
Energy: 0.4570473791698036
Energy: 0.7057041512399237
Energy: 0.45880373391618423
Energy: 0.5184521343860213
Energy: 0.458803733918615

minimum gb energy = 0.43702396386965797 eV
minimum distance =  2.5403650711069 Angstroms
sigma value = 1


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

Energy: 0.6840855584814028
Energy: 0.5343648773957006
Energy: 0.5336898297383947
Energy: 0.48737914946976457
Energy: 0.4670511720286145
Energy: 0.5299930701208682
Energy: 0.46751928685503163
Energy: 0.5299930701187896
Energy: 0.5348092286957371
Energy: 0.5346825664012641
Energy: 0.6212487012540832
Energy: 0.5346825663998784
Energy: 0.468946755918511
Energy: 0.46692479007145393
Energy: 0.46715415269674726
Energy: 0.46692479007214677
Energy: 0.6211061576166971
Energy: 0.4675120652830036
Energy: 0.4676307812233281
Energy: 0.46751206528369643
Energy: 0.46395241340352805
Energy: 0.49345442567763903
Energy: 0.4671890133907899
Energy: 0.49345442567833186
Energy: 0.4640440318972878
Energy: 0.49496106663480194
Energy: 0.5177692594357473
Energy: 0.49496106663688055
Energy: 0.4749269176782422
Energy: 0.4638047242130787
Energy: 0.5142288789033405
Energy: 0.4638047242123859
Energy: 0.5185409379187043
Energy: 0.5318630715820079
Energy: 0.4790174904606534
Energy: 0.5318630715806221
Energy: 0.5129913293211301
Energy: 0.5157311019598814
Energy: 0.4745379518112247
Energy: 0.5157311019584957
Energy: 0.5582536270930971
Energy: 0.494747405411834
Energy: 0.46426545208977854
Energy: 0.49474740541044826
Energy: 0.4870976978306118
Energy: 0.49579096154701485
Energy: 0.46425434179800035
Energy: 0.4957909615456292
Energy: 0.4682615988904907
Energy: 0.46704126298725074
Energy: 0.5575406591082696
Energy: 0.4670412629886365
Energy: 0.4670835518642585
Energy: 0.466921537610076
Energy: 0.49487885879973703
Energy: 0.46692153760869026
Energy: 0.6845839737007617
Energy: 0.5342111266130063
Energy: 0.5331695451796468
Energy: 0.5342111266088492
Energy: 0.448033743676948
Energy: 0.46917105928750114
Energy: 0.46759571046106985
Energy: 0.46917105929165837
Energy: 0.5345067209294947
Energy: 0.5344931962676903
Energy: 0.6218683637249066
Energy: 0.5344931962649189
Energy: 0.46918444886515576
Energy: 0.4691803406035696
Energy: 0.4635497256801962
Energy: 0.4691803406007981
Energy: 0.6216045630909869
Energy: 0.4673264446912218
Energy: 0.4692351342859188
Energy: 0.46732644468775747
Energy: 0.46364399534632295
Energy: 0.46704121689356226
Energy: 0.4676962954598175
Energy: 0.4670412168970266
Energy: 0.4663215512966862
Energy: 0.4948784568536776
Energy: 0.5179250198255961
Energy: 0.4948784568488275
Energy: 0.4731488435347332
Energy: 0.4949526011807996
Energy: 0.5135979031817149
Energy: 0.49495260117248513
Energy: 0.5183233523393254
Energy: 0.5327994854156548
Energy: 0.4827198322670582
Energy: 0.5327994854177334
Energy: 0.5123619440827359
Energy: 0.516905761103283
Energy: 0.47488929921115486
Energy: 0.5169057610956613
Energy: 0.5620265258808171
Energy: 0.49456683834191834
Energy: 0.4639453262971976
Energy: 0.49456683833914683
Energy: 0.48409824076085894
Energy: 0.49548811945662574
Energy: 0.46435426636501465
Energy: 0.49548811946009014
Energy: 0.46775621251683897
Energy: 0.4672395705006772
Energy: 0.5603421401333186
Energy: 0.4672395705034487
Energy: 0.46719907823232293
Energy: 0.4672232495086133
Energy: 0.49649987171896637
Energy: 0.4672232495113848
Energy: 0.6863361055378032
Energy: 0.46898509492015567
Energy: 0.533834616149268
Energy: 0.46898509492015567

minimum gb energy = 0.448033743676948 eV
minimum distance =  2.54057696618785 Angstroms
sigma value = 25


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

Energy: 0.6521603157323204
Energy: 0.54767345980044
Energy: 0.5486376891585292
Energy: 0.4945241629383958
Energy: 0.4766485884812458
Energy: 0.5439005493342618
Energy: 0.47594293050575076
Energy: 0.5439005493366782
Energy: 0.5483278592875869
Energy: 0.5480162427944618
Energy: 0.586793468749072
Energy: 0.5480162427944618
Energy: 0.47931144835996986
Energy: 0.47773379915934294
Energy: 0.47600252332361304
Energy: 0.47773379915934294
Energy: 0.5865491431323607
Energy: 0.47619736911303334
Energy: 0.477586888207297
Energy: 0.4761973691122279
Energy: 0.5003224061779707
Energy: 0.49596679003547994
Energy: 0.4770152896795531
Energy: 0.4959667900322582
Energy: 0.49144788089104546
Energy: 0.5179368332791983
Energy: 0.48901810683289715
Energy: 0.5179368332775872
Energy: 0.4800507613544446
Energy: 0.5181664829369869
Energy: 0.5291536303976314
Energy: 0.5181664829377922
Energy: 0.49029843555438485
Energy: 0.5180341601885702
Energy: 0.5214075723799019
Energy: 0.5180341601869594
Energy: 0.5003660620975623
Energy: 0.5182062495930837
Energy: 0.4773529634953335
Energy: 0.5182062495906673
Energy: 0.6542509422292866
Energy: 0.4761299175408844
Energy: 0.47613571528754484
Energy: 0.4761299175408844
Energy: 0.5111307639401443
Energy: 0.4761155076375121
Energy: 0.4764961780042961
Energy: 0.4761155076359012
Energy: 0.5479049422974833
Energy: 0.5478773253447691
Energy: 0.6528730941680227
Energy: 0.5478773253439636
Energy: 0.4761089369488878
Energy: 0.4801128621446428
Energy: 0.46009913232260424
Energy: 0.4801128621446428
Energy: 0.5859152677076356
Energy: 0.5482333508950281
Energy: 0.5499820337160833
Energy: 0.5482333508934172
Energy: 0.49945842529730233
Energy: 0.4794447780983126
Energy: 0.47931038176352636
Energy: 0.47944477809750724
Energy: 0.4767960231770826
Energy: 0.4762076830128364
Energy: 0.586980550342536
Energy: 0.4762076830128364
Energy: 0.4766651063427317
Energy: 0.47629891420900866
Energy: 0.5005199817583823
Energy: 0.47629891420981413
Energy: 0.4889880797022313
Energy: 0.5181058889652949
Energy: 0.4957108745035078
Energy: 0.5181058889644894
Energy: 0.5305224063622299
Energy: 0.5179920482971899
Energy: 0.490411004110528
Energy: 0.5179920482971899
Energy: 0.5192928797564672
Energy: 0.5178471904958951
Energy: 0.4900092193697979
Energy: 0.5178471904958951
Energy: 0.49839230241383353
Energy: 0.519534000469708
Energy: 0.5007816773596547
Energy: 0.519534000469708
Energy: 0.4757053137083028
Energy: 0.4762504526835817
Energy: 0.5273172201573485
Energy: 0.4762504526835817
Energy: 0.47642569889763414
Energy: 0.4797600984264199
Energy: 0.5096657942130338
Energy: 0.4797600984272254
Energy: 0.6541201810274571
Energy: 0.47940286906324425
Energy: 0.5490124779630458
Energy: 0.4794028690640497

minimum gb energy = 0.46009913232260424 eV
minimum distance =  2.53867885658207 Angstroms
sigma value = 9


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

Energy: 0.6011550067025941
Energy: 0.5576261677362043
Energy: 0.55862803666199
Energy: 0.49470643150579124
Energy: 0.4851383708170541
Energy: 0.5452081362197773
Energy: 0.48523697661149834
Energy: 0.5452081362188164
Energy: 0.5579654822940954
Energy: 0.5575108735662464
Energy: 0.7188163402898543
Energy: 0.5575108735643246
Energy: 0.4908636643613165
Energy: 0.48530442467435614
Energy: 0.4851805468318167
Energy: 0.4853044246714954
Energy: 0.5394124052330356
Energy: 0.4855669711463688
Energy: 0.4856105952676666
Energy: 0.48556697114540803
Energy: 0.5245851208636457
Energy: 0.515145198201586
Energy: 0.4855070786996821
Energy: 0.5151451982006253
Energy: 0.48148167198935493
Energy: 0.5201046319841549
Energy: 0.5410436268339669
Energy: 0.5201046319812724
Energy: 0.5128084906472697
Energy: 0.5221256977911624
Energy: 0.5246830066500652
Energy: 0.5221256977969274
Energy: 0.4853569378044702
Energy: 0.4855408483969465
Energy: 0.6036966994508176
Energy: 0.4855408483950248
Energy: 0.4848068245631514
Energy: 0.49016871194116407
Energy: 0.5187687919591486
Energy: 0.49016871194308576
Energy: 0.6019308499086012
Energy: 0.5574124010207913
Energy: 0.5574078121083289
Energy: 0.5574124010188695
Energy: 0.47918850783919537
Energy: 0.4909091515798299
Energy: 0.4851763486220913
Energy: 0.49090915157790815
Energy: 0.5577178357947681
Energy: 0.5579162140875464
Energy: 0.7183507865268003
Energy: 0.5579162140865855
Energy: 0.5577220977309358
Energy: 0.4850806603264229
Energy: 0.5226788195263058
Energy: 0.48508066032450126
Energy: 0.5396905318323286
Energy: 0.4856958196136407
Energy: 0.48480702566644707
Energy: 0.4856958196126799
Energy: 0.5244952945330206
Energy: 0.4854999776759244
Energy: 0.4849592285935283
Energy: 0.4854999776788069
Energy: 0.47771110316970994
Energy: 0.520437084609845
Energy: 0.540771107889429
Energy: 0.5204370846079232
Energy: 0.4779715582893256
Energy: 0.5208424996420987
Energy: 0.5250083933158265
Energy: 0.5208424996420987
Energy: 0.4847316631234011
Energy: 0.4854130151002124
Energy: 0.5443814717808545
Energy: 0.4854130151002124
Energy: 0.4848072583385752
Energy: 0.4905787466738976
Energy: 0.5442207206877288
Energy: 0.4905787466767584
Energy: 0.6030411880596439
Energy: 0.49049648743833796
Energy: 0.558528226901442
Energy: 0.49049648743833796

minimum gb energy = 0.47771110316970994 eV
minimum distance =  2.53713204440221 Angstroms
sigma value = 25


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

Energy: 0.5263593940849766
Energy: 0.5570503382475763
Energy: 0.5584894945652706
Energy: 0.48377850421711743
Energy: 0.5573127457995016
Energy: 0.5199105152662878
Energy: 0.5040961364946439
Energy: 0.5199105152662878
Energy: 0.5575378494422074
Energy: 0.5570117267877387
Energy: 0.6583389294998004
Energy: 0.5570117267877387
Energy: 0.5072116254846228
Energy: 0.5203233333295307
Energy: 0.5039526014215716
Energy: 0.5203233333295307
Energy: 0.5017934938195716
Energy: 0.540705373177857
Energy: 0.5056587928143618
Energy: 0.5407053731766688
Energy: 0.5476958256270663
Energy: 0.534480786096514
Energy: 0.4945348351179304
Energy: 0.5344807860834431
Energy: 0.527970512306446
Energy: 0.5039431391799479
Energy: 0.5033685853677681
Energy: 0.5039431391811092
Energy: 0.5133162061837241
Energy: 0.5382488448531586
Energy: 0.5044945731257494
Energy: 0.538248844850782
Energy: 0.5569560224711754
Energy: 0.5569662786527184
Energy: 0.5322634147974052
Energy: 0.5569662786539067
Energy: 0.5041746519732974
Energy: 0.5074487284119892
Energy: 0.5295676276124185
Energy: 0.507448728410801
Energy: 0.5461603050970033
Energy: 0.557263471853741
Energy: 0.5582031705810307
Energy: 0.5572634718549293
Energy: 0.5482786065662987
Energy: 0.5395711756332082
Energy: 0.5572189184537666
Energy: 0.5395711756332082
Energy: 0.5035095932121352
Energy: 0.538156793889831
Energy: 0.501834095542859
Energy: 0.5381567938874544
Energy: 0.5063373583240323
Energy: 0.5041534497650478
Energy: 0.5496275920360825
Energy: 0.5041534497638597
Energy: 0.5029659190374246
Energy: 0.539765697790838
Energy: 0.5310654191524754
Energy: 0.5397656977884615
Energy: 0.5039058385928266
Energy: 0.5076888021829008
Energy: 0.5294121177684781
Energy: 0.5076888021817124
Energy: 0.5297806083398365
Energy: 0.5072490080435822
Energy: 0.5584761535979045
Energy: 0.5072490080435822

minimum gb energy = 0.48377850421711743 eV
minimum distance =  2.53115789959172 Angstroms
sigma value = 17


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

Energy: 0.7699154776811108
Energy: 0.608018976212987
Energy: 0.6070036166030612
Energy: 0.5580208370041219
Energy: 0.521245201902279
Energy: 0.4977811316087755
Energy: 0.5803401227056088
Energy: 0.4977811316087755
Energy: 0.522475167314056
Energy: 0.5212680384846731
Energy: 0.6920018343516836
Energy: 0.521268038484
Energy: 0.49789785832806316
Energy: 0.5348193304158714
Energy: 0.5580967036195484
Energy: 0.5348193304172174
Energy: 0.5632091094006746
Energy: 0.5409516563413468
Energy: 0.5152219226574046
Energy: 0.5409516563420197
Energy: 0.5593417747307414
Energy: 0.5426119937527741
Energy: 0.5242868055162476
Energy: 0.5426119937541201
Energy: 0.6088952070632435
Energy: 0.5208830329196332
Energy: 0.5222093277641708
Energy: 0.5208830329196332
Energy: 0.5936018484230167
Energy: 0.49877256448748586
Energy: 0.5211902091927726
Energy: 0.49877256448748586
Energy: 0.6097650290999731
Energy: 0.6078410367038077
Energy: 0.5946107677062245
Energy: 0.6078410367024617
Energy: 0.608054286382251
Energy: 0.5418805459761767
Energy: 0.5781159303547724
Energy: 0.5418805459761767
Energy: 0.5620993562979446
Energy: 0.49853242508389095
Energy: 0.4987251373574737
Energy: 0.49853242508187195
Energy: 0.5536436408611101
Energy: 0.4978591714323611
Energy: 0.4989877553982128
Energy: 0.4978591714330341
Energy: 0.5546321854177778
Energy: 0.4979966561406768
Energy: 0.49850995706027823
Energy: 0.4979966561400037
Energy: 0.6085925079677956
Energy: 0.5175559811429336
Energy: 0.49835325805073644
Energy: 0.5175559811415876
Energy: 0.6075729580055722
Energy: 0.5766123174040473
Energy: 0.5924329902789912
Energy: 0.5766123174040473
Energy: 0.607864749752548
Energy: 0.6071356435847289
Energy: 0.5927703810507587
Energy: 0.6071356435854018
Energy: 0.5949132561360954
Energy: 0.5211488338308395
Energy: 0.5214747970152938
Energy: 0.5211488338348775
Energy: 0.5947123509150886
Energy: 0.521436966678676
Energy: 0.5209984981022239
Energy: 0.521436966679349
Energy: 0.5241016963650771
Energy: 0.540916263606803
Energy: 0.5623286592218109
Energy: 0.540916263606803
Energy: 0.5097457047576209
Energy: 0.5417335329007296
Energy: 0.5582368017924424
Energy: 0.5417335329027486
Energy: 0.5208371836084967
Energy: 0.4981351188467819
Energy: 0.5937395381107068
Energy: 0.49813511884745487
Energy: 0.5210702585514689
Energy: 0.5209196282184183
Energy: 0.6132539966049225
Energy: 0.5209196282197642
Energy: 0.5578993363428774
Energy: 0.5337711349058236
Energy: 0.6076905587063276
Energy: 0.5337711349058236
Energy: 0.5948399624858154
Energy: 0.6081104907842378
Energy: 0.6079591723020213
Energy: 0.6081104907835648
Energy: 0.4980242976107757
Energy: 0.4991238230000829
Energy: 0.5532561412743592
Energy: 0.4991238230007559
Energy: 0.4987852303064616
Energy: 0.49803228018191115
Energy: 0.5616856122102731
Energy: 0.49803228018123813
Energy: 0.4968816757156489
Energy: 0.5207918194946195
Energy: 0.59535463230029
Energy: 0.5207918194939465
Energy: 0.49992763564136905
Energy: 0.49878650903884025
Energy: 0.6126755491467791
Energy: 0.49878650903816724
Energy: 0.49870503828030904
Energy: 0.497824652363781
Energy: 0.5539164083565906
Energy: 0.497824652362435
Energy: 0.7657508851492846
Energy: 0.6080467869486039
Energy: 0.6083622632953499
Energy: 0.6080467869472581

minimum gb energy = 0.4968816757156489 eV
minimum distance =  2.57100019663541 Angstroms
sigma value = 53


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

Energy: 0.8205722760308402
Energy: 0.5944756948556158
Energy: 0.5958317070430599
Energy: 0.5029064907064688
Energy: 0.6241502638239308
Energy: 0.5553921301074651
Energy: 0.4832384245258519
Energy: 0.5553921301074651
Energy: 0.6249473912004918
Energy: 0.6242708278676183
Energy: 0.5853052623460254
Energy: 0.6242708278676183
Energy: 0.594545263152979
Energy: 0.5548707728466876
Energy: 0.48520516314858897
Energy: 0.5548707728482369
Energy: 0.6191336407670673
Energy: 0.5698228435923043
Energy: 0.5010919846227707
Energy: 0.5698228435923043
Energy: 0.5985161847163656
Energy: 0.44146995068585043
Energy: 0.4995382798878004
Energy: 0.4414699506843011
Energy: 0.579274861485346
Energy: 0.4587287677378711
Energy: 0.4582673714399298
Energy: 0.45872876773632176
Energy: 0.5791468067792134
Energy: 0.4297152030079042
Energy: 0.4594346637700602
Energy: 0.4297152030079042
Energy: 0.6330747575010841
Energy: 0.6332938097017501
Energy: 0.5799144285947208
Energy: 0.6332938097002008
Energy: 0.6435139616295701
Energy: 0.4412657682921807
Energy: 0.45934984373183285
Energy: 0.4412657682921807
Energy: 0.6059239010955247
Energy: 0.5566018764894317
Energy: 0.4917522242699421
Energy: 0.556601876490981
Energy: 0.6065937826706813
Energy: 0.5818916349374315
Energy: 0.5001559369430152
Energy: 0.5818916349389807
Energy: 0.5918340437173574
Energy: 0.45890208496892604
Energy: 0.596821976122673
Energy: 0.45890208498132057

minimum gb energy = 0.4297152030079042 eV
minimum distance =  2.61369537422309 Angstroms
sigma value = 9


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

Energy: 0.6846763548489185
Energy: 0.6279807997492831
Energy: 0.6307679858898396
Energy: 0.5820952660065679
Energy: 0.5039230514921877
Energy: 0.505632463754696
Energy: 0.632946006536506
Energy: 0.5056324637524022
Energy: 0.4947146763998013
Energy: 0.4950275503016201
Energy: 0.615961509690546
Energy: 0.4950275503010467
Energy: 0.4978000948108131
Energy: 0.5059026772823789
Energy: 0.6493443686246486
Energy: 0.5059026772789385
Energy: 0.4967993295610008
Energy: 0.49472080996967716
Energy: 0.6567471240268096
Energy: 0.4947208099702506
Energy: 0.4964859873921112
Energy: 0.494509626440993
Energy: 0.6493967745515705
Energy: 0.49450962644328667
Energy: 0.6345464779787111
Energy: 0.6215328131900528
Energy: 0.6329527785663167
Energy: 0.6215328131883325
Energy: 0.6320035698755231
Energy: 0.616611595316047
Energy: 0.6198096043379255
Energy: 0.6166115953177672
Energy: 0.5330733904257979
Energy: 0.5660396733788711
Energy: 0.5333219776644781
Energy: 0.5660396733805915
Energy: 0.49197065708098775
Energy: 0.5657903062402357
Energy: 0.6103382856855057
Energy: 0.5657903062385156
Energy: 0.5335259021051455
Energy: 0.5344414395750545
Energy: 0.5832499516022077
Energy: 0.5344414395739077
Energy: 0.5323800855106198
Energy: 0.5336747570542923
Energy: 0.6453277253451283
Energy: 0.5336747570525721
Energy: 0.6349962329120379
Energy: 0.5379386826164052
Energy: 0.5347279756559157
Energy: 0.5379386826158318
Energy: 0.6346205814049901
Energy: 0.5329184838163675
Energy: 0.539777949424398
Energy: 0.5329184838152207
Energy: 0.5905921868064424
Energy: 0.533145380091102
Energy: 0.5372203953366328
Energy: 0.5331453800899552
Energy: 0.5730781521472795
Energy: 0.5656617964918338
Energy: 0.5384986605426932
Energy: 0.5656617964941276
Energy: 0.6161135513988233
Energy: 0.5054051019457596
Energy: 0.5363746908723958
Energy: 0.5054051019446127
Energy: 0.6299412612592846
Energy: 0.6261946716899921
Energy: 0.644589646966634
Energy: 0.6261946716922857
Energy: 0.6332108790645011
Energy: 0.5059345488954312
Energy: 0.5419357168842469
Energy: 0.5059345488942845
Energy: 0.6290793256411887
Energy: 0.494909331210795
Energy: 0.49468113844636924
Energy: 0.49490933121022157
Energy: 0.6385319036468022
Energy: 0.5058421133684551
Energy: 0.49642957109539737
Energy: 0.5058421133713222
Energy: 0.6495176968459607
Energy: 0.49441269710717617
Energy: 0.4951885773552892
Energy: 0.4944126971066027
Energy: 0.6560828287349437
Energy: 0.5233383458742709
Energy: 0.49567732901029865
Energy: 0.5233383458736974
Energy: 0.6267598936497275
Energy: 0.620487958024491
Energy: 0.6349312413515192
Energy: 0.6204879580262112
Energy: 0.6204115000630147
Energy: 0.6167116811274757
Energy: 0.6316419686436487
Energy: 0.6167116811274757
Energy: 0.534103517703211
Energy: 0.5759116022470101
Energy: 0.5399011001274301
Energy: 0.5759116022401289
Energy: 0.6197887472036094
Energy: 0.566082912017366
Energy: 0.4915851818903849
Energy: 0.5660829120150724
Energy: 0.5832032064802698
Energy: 0.5387208618962873
Energy: 0.5341636284728647
Energy: 0.5387208618951405
Energy: 0.6447189869153757
Energy: 0.5339613281507707
Energy: 0.5323103170285325
Energy: 0.5339613281513441
Energy: 0.5341845566476969
Energy: 0.5794929897398174
Energy: 0.6353716881108235
Energy: 0.5794929897415377
Energy: 0.5369036420559743
Energy: 0.533337245431111
Energy: 0.6181413282074864
Energy: 0.533337245431111
Energy: 0.5348314166101286
Energy: 0.5343805995949779
Energy: 0.5982949494704535
Energy: 0.534380599593831
Energy: 0.5366973284932062
Energy: 0.5657102657785077
Energy: 0.572990801421659
Energy: 0.5657102657773607
Energy: 0.5348949689312571
Energy: 0.5052912244223496
Energy: 0.583769399040588
Energy: 0.5052912244223496
Energy: 0.6448008218513159
Energy: 0.6252659435892797
Energy: 0.6296400032240322
Energy: 0.6252659435892797

minimum gb energy = 0.4915851818903849 eV
minimum distance =  2.56018864103515 Angstroms
sigma value = 73


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

Energy: 0.7274360526124336
Energy: 0.6012906307730698
Energy: 0.6013426842644654
Energy: 0.5594163932003251
Energy: 0.534153294676834
Energy: 0.5131434034653194
Energy: 0.6132450012354024
Energy: 0.5131434034653194
Energy: 0.512351946809549
Energy: 0.5120752437890622
Energy: 0.598705801905993
Energy: 0.5120752437890622
Energy: 0.5119873687371289
Energy: 0.5133685244093767
Energy: 0.6326838140947062
Energy: 0.5133685244084668
Energy: 0.5164710670039471
Energy: 0.5146562965895152
Energy: 0.6382890782810711
Energy: 0.5146562965913347
Energy: 0.5468253733989362
Energy: 0.5143747767654385
Energy: 0.6380772738192293
Energy: 0.5143747767663484
Energy: 0.5645468182034353
Energy: 0.6324674647756632
Energy: 0.6196354103309636
Energy: 0.6324674647747535
Energy: 0.5559747320644087
Energy: 0.5978071492811191
Energy: 0.6075820505733024
Energy: 0.5978071492792996
Energy: 0.5461278800159147
Energy: 0.4938023556510623
Energy: 0.6005149872791808
Energy: 0.493802355651972
Energy: 0.5329953563460884
Energy: 0.5838396395329363
Energy: 0.601744092651249
Energy: 0.5838396395338461
Energy: 0.5357880575397567
Energy: 0.5014035136949037
Energy: 0.502061707548125
Energy: 0.5014035136985429
Energy: 0.5275757552540866
Energy: 0.5273644528088399
Energy: 0.6235662609865517
Energy: 0.5273644528106595
Energy: 0.6022588447079701
Energy: 0.5020320523662402
Energy: 0.5370182331099401
Energy: 0.5020320523662402
Energy: 0.59828407403613
Energy: 0.5359829207994269
Energy: 0.5388513568017039
Energy: 0.5359829207966975
Energy: 0.6060133112037577
Energy: 0.54608676984034
Energy: 0.5302848098745504
Energy: 0.5460867698357911
Energy: 0.638450641908913
Energy: 0.5307647774726258
Energy: 0.5296945193936416
Energy: 0.5307647774735356
Energy: 0.6392448433594529
Energy: 0.5729257550820005
Energy: 0.5460334866659947
Energy: 0.57292575508382
Energy: 0.6039173701082442
Energy: 0.6038755275484504
Energy: 0.5563008732830719
Energy: 0.60387552755027
Energy: 0.5925697360118184
Energy: 0.5537864899960192
Energy: 0.556079529173292
Energy: 0.5537864899951095
Energy: 0.5783485024009548
Energy: 0.5510691723338323
Energy: 0.5771922904595146
Energy: 0.5510691723338323
Energy: 0.5825341666849705
Energy: 0.5657254708951738
Energy: 0.5332949685291712
Energy: 0.5657254708969933
Energy: 0.6372342250005956
Energy: 0.5891719534777506
Energy: 0.5902777146523082
Energy: 0.5891719534768409

minimum gb energy = 0.4938023556510623 eV
minimum distance =  2.59712512798067 Angstroms
sigma value = 7


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

Energy: 0.8444987693724127
Energy: 0.6093963260192836
Energy: 0.6109253699300432
Energy: 0.5524783799404223
Energy: 0.527413967125417
Energy: 0.5126794709576054
Energy: 0.6055688261534515
Energy: 0.5126794709678983
Energy: 0.51255637283049
Energy: 0.5124966469610865
Energy: 0.5689320705665895
Energy: 0.5124966469565834
Energy: 0.5139476925305952
Energy: 0.5123882803025022
Energy: 0.5650247945546284
Energy: 0.5123882803115085
Energy: 0.5229561910720153
Energy: 0.5211001448857148
Energy: 0.6106984203734883
Energy: 0.5211001448870013
Energy: 0.5208716036625577
Energy: 0.5206623080856049
Energy: 0.6103611889990758
Energy: 0.5206623080862482
Energy: 0.6054820542524287
Energy: 0.5565630476839082
Energy: 0.5217019229009724
Energy: 0.5565630476826215
Energy: 0.6053339585103146
Energy: 0.5210945679833116
Energy: 0.522053870230838
Energy: 0.5210945679820249
Energy: 0.6087979355280758
Energy: 0.5119695567511295
Energy: 0.5118179683185556
Energy: 0.5119695567491996
Energy: 0.6112107848909014
Energy: 0.512949213231177
Energy: 0.5130170811215341
Energy: 0.5129492132279606
Energy: 0.6059801495002481
Energy: 0.5774529393879239
Energy: 0.5203767750618894
Energy: 0.5774529393885671
Energy: 0.6088492222043552
Energy: 0.5907456453487165
Energy: 0.6052540938567751
Energy: 0.5907456453506464
Energy: 0.5776666861782507
Energy: 0.5574010445432321
Energy: 0.5273262119952651
Energy: 0.5574010445432321
Energy: 0.5682866413050796
Energy: 0.5472376583998354
Energy: 0.5214354255585882
Energy: 0.5472376583934021
Energy: 0.5869524335776112
Energy: 0.5575685266003116
Energy: 0.5345238306672702
Energy: 0.5575685266035283
Energy: 0.5371311323982911
Energy: 0.5903377920152724
Energy: 0.6085136256392136
Energy: 0.5903377920152724
Energy: 0.5357518417938657
Energy: 0.5765997072943252
Energy: 0.6142869200477713
Energy: 0.576599707304589
Energy: 0.5284761856685817
Energy: 0.5128532322205048
Energy: 0.5714656224044194
Energy: 0.5128532322160017
Energy: 0.512370121762222
Energy: 0.5118367934181026
Energy: 0.6062194915602163
Energy: 0.5118367934206759
Energy: 0.5213872075185751
Energy: 0.5204912816924209
Energy: 0.536754952965808
Energy: 0.5204912816898476
Energy: 0.5214102958697399
Energy: 0.5578214464287328
Energy: 0.6135947459230362
Energy: 0.557821446417153
Energy: 0.6049227974708985
Energy: 0.5208500451619864
Energy: 0.5204646772689063
Energy: 0.5208500451652028
Energy: 0.6039571939301023
Energy: 0.521166065696872
Energy: 0.5228537521900686
Energy: 0.5211660656936554
Energy: 0.6407116117320079
Energy: 0.5122536881050721
Energy: 0.51585720575621
Energy: 0.5122536880992822
Energy: 0.6196360766898708
Energy: 0.5128280007287968
Energy: 0.5126079080941072
Energy: 0.5128280007306973
Energy: 0.6140902981564811
Energy: 0.5600184724120029
Energy: 0.5278528717211981
Energy: 0.5600184724113596
Energy: 0.6089941526789051
Energy: 0.6086875091846872
Energy: 0.7360976029289188
Energy: 0.6086875091859739
Energy: 0.586551952183029
Energy: 0.5555082346181744
Energy: 0.5279034934856272
Energy: 0.5555082346098112
Energy: 0.5697769338946819
Energy: 0.5479347821994863
Energy: 0.5682830931268555
Energy: 0.5479347821994863
Energy: 0.5796621409692277
Energy: 0.570629830676045
Energy: 0.5212161695114541
Energy: 0.5706298306766884
Energy: 0.5357967761427322
Energy: 0.5907318311668114
Energy: 0.5925430203492978
Energy: 0.5907318311738586

minimum gb energy = 0.5118179683185556 eV
minimum distance =  2.60783754783168 Angstroms
sigma value = 29


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

Energy: 0.4717375824516282
Energy: 0.5828567296896923
Energy: 0.53064383388881
Energy: 0.5461700023870373
Energy: 0.5084788720342751
Energy: 0.5087069746883642
Energy: 0.5278053663140194
Energy: 0.5087069746881401
Energy: 0.5547991675111918
Energy: 0.4666801154279745
Energy: 0.46829741407535525
Energy: 0.46668011542578336
Energy: 0.4703842669544683
Energy: 0.4665012855631974
Energy: 0.519914280658481
Energy: 0.4665012855627493
Energy: 0.49697328341902175
Energy: 0.4987115783423661
Energy: 0.4628095766635242
Energy: 0.49871157834301355
Energy: 0.5160144340437245
Energy: 0.5321004167684484
Energy: 0.46359550424615487
Energy: 0.5321004167664815
Energy: 0.4626647384426804
Energy: 0.5342532289390279
Energy: 0.5244375312439238
Energy: 0.5342532289394761
Energy: 0.49432936267423416
Energy: 0.47326319559298446
Energy: 0.46942392679857975
Energy: 0.47326319559211294
Energy: 0.4644747318597161
Energy: 0.4726210509319535
Energy: 0.4998077459461961
Energy: 0.4726210509321776

minimum gb energy = 0.4626647384426804 eV
minimum distance =  2.6131365366716 Angstroms
sigma value = 5


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

Energy: 0.6575047610023519
Energy: 0.57478082414058
Energy: 0.5760958291403527
Energy: 0.4648826306199886
Energy: 0.5866432774129962
Energy: 0.48065839549934053
Energy: 0.5547712914863323
Energy: 0.48065839550055595
Energy: 0.5545374039688318
Energy: 0.5303178093393666
Energy: 0.55349771115132
Energy: 0.5303178093387588
Energy: 0.5021674976308803
Energy: 0.48009486993151296
Energy: 0.5894254482759923
Energy: 0.48009486993151296
Energy: 0.5558146842793655
Energy: 0.4816888766427422
Energy: 0.552689312786901
Energy: 0.4816888766421345
Energy: 0.480990190153621
Energy: 0.48112453100752167
Energy: 0.5529005592358684
Energy: 0.48112453100752167
Energy: 0.4801055569741356
Energy: 0.48063394557965394
Energy: 0.5885898608837139
Energy: 0.48063394558147704
Energy: 0.4846768099787589
Energy: 0.4804074196473919
Energy: 0.597420172875425
Energy: 0.48040741964799955
Energy: 0.5742368590197124
Energy: 0.4909502007338513
Energy: 0.5997941647070608
Energy: 0.49095020073506673
Energy: 0.5559699412298732
Energy: 0.45703908997834386
Energy: 0.4609550991311451
Energy: 0.45703908997712844
Energy: 0.5729265390028992
Energy: 0.45741543057119427
Energy: 0.45865164505452616
Energy: 0.45741543057058665
Energy: 0.5970340541173398
Energy: 0.45766989093404714
Energy: 0.45698314111626587
Energy: 0.4576698909346549
Energy: 0.6012809126732643
Energy: 0.49035707466138084
Energy: 0.5243549382247539
Energy: 0.4903570746607731
Energy: 0.5721295865071767
Energy: 0.49283624107526935
Energy: 0.5518850307258054
Energy: 0.49283624107526935
Energy: 0.48671782057330637
Energy: 0.48210605348292485
Energy: 0.5538049258394158
Energy: 0.4821060534853556
Energy: 0.4837149735599047
Energy: 0.48056009650192383
Energy: 0.5878534809965988
Energy: 0.48056009650070847
Energy: 0.4843043263199668
Energy: 0.4833428786863695
Energy: 0.5045809062073354
Energy: 0.4833428786857618
Energy: 0.555484512416819
Energy: 0.480799298413377
Energy: 0.5700641654756804
Energy: 0.48079929841155394
Energy: 0.5557395219729893
Energy: 0.5313305196517846
Energy: 0.5573492670484055
Energy: 0.5313305196523922
Energy: 0.5888753774824474
Energy: 0.5366411153991246
Energy: 0.5015449237299971
Energy: 0.5366411153960862
Energy: 0.5533136985742378
Energy: 0.48123292138475804
Energy: 0.5557438519335771
Energy: 0.4812329213853657
Energy: 0.5521020919288654
Energy: 0.48193730880444324
Energy: 0.4813078208362161
Energy: 0.48193730880383556
Energy: 0.5909119661117316
Energy: 0.48039496915704755
Energy: 0.48025483169179856
Energy: 0.48039496915704755
Energy: 0.598179316452762
Energy: 0.4801564839963047
Energy: 0.4848279533474821
Energy: 0.4801564839963047
Energy: 0.5984912623129645
Energy: 0.4895550528200978
Energy: 0.5728195904159445
Energy: 0.4895550528200978
Energy: 0.5272434393430289
Energy: 0.4571402426275468
Energy: 0.5563121423904331
Energy: 0.45714024263180064
Energy: 0.46103771334184185
Energy: 0.4576944944222736
Energy: 0.5745573980383021
Energy: 0.45769449441741206
Energy: 0.45683381709858134
Energy: 0.4579045634027577
Energy: 0.5727521533733878
Energy: 0.45790456340093466
Energy: 0.5221421430509747
Energy: 0.587143654606555
Energy: 0.596595601451262
Energy: 0.5871436546047321
Energy: 0.5517443767792354
Energy: 0.4911041349805585
Energy: 0.5729960196381686
Energy: 0.49110413497934313
Energy: 0.5527009345282857
Energy: 0.48258734731843184
Energy: 0.48191251553027753
Energy: 0.48258734731478564
Energy: 0.5889266355649235
Energy: 0.4804577566892101
Energy: 0.4819863372327981
Energy: 0.480457756687387
Energy: 0.5057870079220151
Energy: 0.4838727826528791
Energy: 0.48704433209872094
Energy: 0.4838727826540945

minimum gb energy = 0.45683381709858134 eV
minimum distance =  2.56303208988668 Angstroms
sigma value = 1


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

Energy: 0.6904663955271525
Energy: 0.45720786935125846
Energy: 0.5642100419396543
Energy: 0.4396104083456598
Energy: 0.5989919750110759
Energy: 0.452329890484593
Energy: 0.5510346313047082
Energy: 0.452329890484593
Energy: 0.550804276865761
Energy: 0.5160183126734837
Energy: 0.5503295254674899
Energy: 0.5160183126709631
Energy: 0.47641412842116687
Energy: 0.4519511555734811
Energy: 0.5998055341767746
Energy: 0.4519511555709604
Energy: 0.5706743310451456
Energy: 0.454857523573679
Energy: 0.5474783865194387
Energy: 0.4548575235761997
Energy: 0.4592688890919878
Energy: 0.45470982870515886
Energy: 0.5485639901852031
Energy: 0.45470982870431864
Energy: 0.4512570845298505
Energy: 0.4512682769363878
Energy: 0.5989446765279984
Energy: 0.4512682769389085
Energy: 0.4520943549212039
Energy: 0.45231752782967444
Energy: 0.6118839081297395
Energy: 0.45231752782715373
Energy: 0.5996395199923091
Energy: 0.47117113031112096
Energy: 0.6120141046006822
Energy: 0.4711711303128014
Energy: 0.5482742581076717
Energy: 0.45267304052042345
Energy: 0.4514759087937038
Energy: 0.4526730405237844
Energy: 0.5990321758849104
Energy: 0.45154343945689185
Energy: 0.4519741896251364
Energy: 0.4515434394577321
Energy: 0.6116162343117781
Energy: 0.4538020337864891
Energy: 0.45177759713610793
Energy: 0.45380203378732936
Energy: 0.6090155738555592
Energy: 0.551247132714793
Energy: 0.48816047116103495
Energy: 0.551247132714793
Energy: 0.6003566505781488
Energy: 0.4519530527188557
Energy: 0.5490096783779727
Energy: 0.45195305271717523
Energy: 0.4794730919015006
Energy: 0.5155078142929058
Energy: 0.5500741999197538
Energy: 0.5155078142945863
Energy: 0.4748864049334764
Energy: 0.4522636276622227
Energy: 0.5993867609851569
Energy: 0.4522636276622227
Energy: 0.4894548388860715
Energy: 0.48757467531353715
Energy: 0.549112756104728
Energy: 0.4875746753194188
Energy: 0.45200140296807123
Energy: 0.4525000318924478
Energy: 0.5977785440922242
Energy: 0.452500031893288
Energy: 0.45520759069783556
Energy: 0.45247759464279325
Energy: 0.6120845793201602
Energy: 0.4524775946444737
Energy: 0.45182622436237774
Energy: 0.4526239135915834
Energy: 0.6113585604569997
Energy: 0.4526239135857017
Energy: 0.5469923804349054
Energy: 0.4721727463712951
Energy: 0.5987315826268754
Energy: 0.4721727463687744
Energy: 0.5472488828214006
Energy: 0.4547493468241357
Energy: 0.4530164973928005
Energy: 0.4547493468258162
Energy: 0.6007834240962616
Energy: 0.45115778057148626
Energy: 0.45274019124574566
Energy: 0.45115778057482814
Energy: 0.6091246404960238
Energy: 0.4529465696414758
Energy: 0.4522667604045549
Energy: 0.45294656964315627

minimum gb energy = 0.4396104083456598 eV
minimum distance =  2.57378677299654 Angstroms
sigma value = 17


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

Energy: 0.7381760701749993
Energy: 0.5873896447646997
Energy: 0.5900586295829356
Energy: 0.4789871804188311
Energy: 0.5308983201772939
Energy: 0.4552173083109223
Energy: 0.5246577025362384
Energy: 0.4552173083109223
Energy: 0.5655785394379458
Energy: 0.5564493187100874
Energy: 0.5215359083688368
Energy: 0.5564493187085294
Energy: 0.5711051323311562
Energy: 0.439600841493065
Energy: 0.5218315193718787
Energy: 0.439600841493065
Energy: 0.5293245000759129
Energy: 0.439744170028567
Energy: 0.6050420544130513
Energy: 0.4397441700290864
Energy: 0.45288325972534654
Energy: 0.43991224045990646
Energy: 0.5973581685766308
Energy: 0.4399122404588678
Energy: 0.4399515487767801
Energy: 0.43878711378557844
Energy: 0.5028284924079703
Energy: 0.43878711378557844
Energy: 0.449496747586655
Energy: 0.4512481176901452
Energy: 0.6352047384513881
Energy: 0.4512481176906646
Energy: 0.6034839543014678
Energy: 0.4396661594063275
Energy: 0.6154622978802679
Energy: 0.43966615939957615
Energy: 0.5206575091151902
Energy: 0.5560548569741334
Energy: 0.5263603901853774
Energy: 0.5560548569746526
Energy: 0.6062061357187843
Energy: 0.5566543085891512
Energy: 0.4685025711028732
Energy: 0.5566543085886319
Energy: 0.6289180266277827
Energy: 0.4556414940438349
Energy: 0.5360255575919454
Energy: 0.4556414940412382
Energy: 0.5978980062330068
Energy: 0.4681481968286238
Energy: 0.4676493820096549
Energy: 0.46814819682966247
Energy: 0.5708424965065806
Energy: 0.4544367150219142
Energy: 0.4558531470135715
Energy: 0.45443671502347216
Energy: 0.5667661008055549
Energy: 0.4551756894570374
Energy: 0.46100830927917164
Energy: 0.45517568945651804
Energy: 0.6406576130861179
Energy: 0.46577716815723913
Energy: 0.6246571057541764
Energy: 0.4657771681967083
Energy: 0.4562420832003748
Energy: 0.45585243449007573
Energy: 0.6016514589166605
Energy: 0.45585243448799845
Energy: 0.4583236747312789
Energy: 0.45512608507489843
Energy: 0.6265243600432232
Energy: 0.45512608507489843
Energy: 0.46289077508527265
Energy: 0.45552360752634286
Energy: 0.6152705284832662
Energy: 0.4555236075258235
Energy: 0.49663389851992784
Energy: 0.5226662206915712
Energy: 0.6348804773998361
Energy: 0.5226662206905327
Energy: 0.5229026675506474
Energy: 0.4550123925421721
Energy: 0.4544218314569013
Energy: 0.45501239254165277
Energy: 0.5215322751814133
Energy: 0.5567901165056921
Energy: 0.5650610344395594
Energy: 0.5567901165062114
Energy: 0.5042961956502098
Energy: 0.47994786073447815
Energy: 0.567500052061385
Energy: 0.47994786073655543
Energy: 0.6055418294968131
Energy: 0.5554838667525596
Energy: 0.519994027075832
Energy: 0.5554838667515208
Energy: 0.5971881246160717
Energy: 0.4401147715761385
Energy: 0.445469120658332
Energy: 0.4401147715761385
Energy: 0.5034192470868072
Energy: 0.4389790165016397
Energy: 0.4425871363590363
Energy: 0.4389790164996095
Energy: 0.6353791641711833
Energy: 0.4504588032702571
Energy: 0.4492836836640775
Energy: 0.4504588032692185
Energy: 0.6144687061587748
Energy: 0.43926435120625823
Energy: 0.6024034546875067
Energy: 0.4392643512072969
Energy: 0.5238407080473192
Energy: 0.5563941813058715
Energy: 0.5217358288214469
Energy: 0.556394181306391
Energy: 0.46935156048004456
Energy: 0.45449054944808903
Energy: 0.6273885020559752
Energy: 0.4544905494538017
Energy: 0.5366310742169152
Energy: 0.4558626235891279
Energy: 0.596763942457426
Energy: 0.4558626235880892
Energy: 0.46782178233542776
Energy: 0.4561531328053519
Energy: 0.5971160499688684
Energy: 0.4561531328032746
Energy: 0.4545385754297853
Energy: 0.45436399729251364
Energy: 0.6242402920603631
Energy: 0.45436399729095567
Energy: 0.4642429184246459
Energy: 0.4550860282391365
Energy: 0.5696718238945496
Energy: 0.4550860282386172
Energy: 0.6258986843471056
Energy: 0.46498046537929055
Energy: 0.6374941528034189
Energy: 0.4649804653798099
Energy: 0.6008638317627607
Energy: 0.45710861712371004
Energy: 0.4556780556761405
Energy: 0.45710861712371004
Energy: 0.6259668202988337
Energy: 0.45479056071264007
Energy: 0.45594701241239016
Energy: 0.45479056071108204
Energy: 0.6161514852213071
Energy: 0.4558564295688577
Energy: 0.47937115056919166
Energy: 0.45585642956678035

minimum gb energy = 0.43878711378557844 eV
minimum distance =  2.55556661658128 Angstroms
sigma value = 89


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

Energy: 0.8894119541315821
Energy: 0.4595453864651114
Energy: 0.46059077578693536
Energy: 0.46384774480084917
Energy: 0.667869474957816
Energy: 0.6171953219055905
Energy: 0.5743725661790788
Energy: 0.6171953219055905
Energy: 0.4929850631712202
Energy: 0.5044285289868277
Energy: 0.5744375490252694
Energy: 0.5044285289854687
Energy: 0.4914941285247975
Energy: 0.42552309000693733
Energy: 0.5363028445010735
Energy: 0.42552309030844443
Energy: 0.5643612784403321
Energy: 0.5594979793385778
Energy: 0.5973283858691273
Energy: 0.5594979793399367
Energy: 0.47980216004213627
Energy: 0.41354242227838056
Energy: 0.5978754496976998
Energy: 0.41354242227702176
Energy: 0.465204732961368
Energy: 0.404520805227674
Energy: 0.6234059116662761
Energy: 0.4045208052290328
Energy: 0.4642194290243881
Energy: 0.46445250346771577
Energy: 0.6220775077569692
Energy: 0.46445250347043343
Energy: 0.5722178287013763
Energy: 0.5609494655638761
Energy: 0.6224058436115806
Energy: 0.560949465565235
Energy: 0.6036520856649769
Energy: 0.5309330558998974
Energy: 0.40520516169244675
Energy: 0.5309330559026152
Energy: 0.5718951954628393
Energy: 0.44587773301055084
Energy: 0.49473169051089066
Energy: 0.44587773301055084
Energy: 0.5979478559561633
Energy: 0.45980234104999645
Energy: 0.405316622837753
Energy: 0.45980234104999645
Energy: 0.5970864423612149
Energy: 0.4613152198365806
Energy: 0.4588651322098429
Energy: 0.46131521983386287
Energy: 0.669127086991472
Energy: 0.4586605140917183
Energy: 0.46010909134323624
Energy: 0.4586605140917183
Energy: 0.6095143708648939
Energy: 0.459795670139206
Energy: 0.4765168696669942
Energy: 0.459795670139206

minimum gb energy = 0.404520805227674 eV
minimum distance =  2.55479491165141 Angstroms
sigma value = 13


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

Energy: 0.6708121853451007
Energy: 0.41128898485899257
Energy: 0.4117302820807861
Energy: 0.44158370315870815
Energy: 0.5673856194102308
Energy: 0.40845622506436097
Energy: 0.4703741610185455
Energy: 0.4084562250649305
Energy: 0.6056517802331075
Energy: 0.4110725105631802
Energy: 0.46959684225943493
Energy: 0.4110725105557762
Energy: 0.5211741556869246
Energy: 0.603027808764815
Energy: 0.46998230302696525
Energy: 0.6030278087705103
Energy: 0.5756816044539719
Energy: 0.6846601608532814
Energy: 0.5668053148599073
Energy: 0.6846601608532814
Energy: 0.47213001486368716
Energy: 0.4079500947021564
Energy: 0.5653129603485711
Energy: 0.40795009470956034
Energy: 0.47037418098168304
Energy: 0.40821936029216777
Energy: 0.5715720743538609
Energy: 0.4082193602938764
Energy: 0.46880627477287334
Energy: 0.4092941968597933
Energy: 0.636614230000472
Energy: 0.40929419686207147
Energy: 0.4080068307260771
Energy: 0.40910330188311295
Energy: 0.637497003721335
Energy: 0.4091033018865301
Energy: 0.4117494285363508
Energy: 0.4084653335029378
Energy: 0.6369595771541477
Energy: 0.4084653334961033
Energy: 0.4086237705550985
Energy: 0.40955082770268925
Energy: 0.6716434136387384
Energy: 0.4095508277100932
Energy: 0.5660344036269359
Energy: 0.5495762588227473
Energy: 0.6370796560567943
Energy: 0.5495762588187605
Energy: 0.5677761742140414
Energy: 0.4312887452599707
Energy: 0.565976783854918
Energy: 0.43128874526054023
Energy: 0.5721354394879377
Energy: 0.4328170909228806
Energy: 0.522018273911537
Energy: 0.43281709092174153
Energy: 0.6367813930548134
Energy: 0.4090240162468481
Energy: 0.5706767168736482
Energy: 0.40902401625937784
Energy: 0.6415996665254791
Energy: 0.40943130008045053
Energy: 0.40833143697188257
Energy: 0.4094313000878546
Energy: 0.5706303259305995
Energy: 0.4085323392372378
Energy: 0.4124271804047353
Energy: 0.4085323392338206
Energy: 0.6050268545970794
Energy: 0.4092312591521546
Energy: 0.4089006276014243
Energy: 0.40923125914816777
Energy: 0.6700846904169736
Energy: 0.40862377826889623
Energy: 0.4739672161036652
Energy: 0.4086237782700353
Energy: 0.6381760500051015
Energy: 0.4104095382648911
Energy: 0.46806128303114936
Energy: 0.41040953827058657
Energy: 0.5213499986990643
Energy: 0.40865847005090916
Energy: 0.4695494821601538
Energy: 0.40865847006457817
Energy: 0.5773853430589965
Energy: 0.6837966187214715
Energy: 0.5650858037990364
Energy: 0.6837966187174846
Energy: 0.4731978195777811
Energy: 0.40804411117770073
Energy: 0.5658150681119202
Energy: 0.40804411117485306
Energy: 0.41316644540073966
Energy: 0.40822115828099015
Energy: 0.5777782292058266
Energy: 0.4082211582775729
Energy: 0.4694986975712426
Energy: 0.40936352550372984
Energy: 0.6366293724801956
Energy: 0.4093635255042994
Energy: 0.40802902458752394
Energy: 0.4090647161362216
Energy: 0.6400992953999679
Energy: 0.4090647161436255
Energy: 0.4086754241749328
Energy: 0.4081424046343352
Energy: 0.5793699558850514
Energy: 0.408142404638322
Energy: 0.4087565487737532
Energy: 0.409065723946381
Energy: 0.6048475322267631
Energy: 0.409065723946381
Energy: 0.5669002878800663
Energy: 0.5502005539703014
Energy: 0.6702348726899588
Energy: 0.5502005539657451
Energy: 0.4674491369532695
Energy: 0.43186588625338884
Energy: 0.5680810292093529
Energy: 0.431865886255667
Energy: 0.5708914226400205
Energy: 0.4914847904597189
Energy: 0.5218601606984087
Energy: 0.4914847905616145
Energy: 0.6406228923940318
Energy: 0.4551699711697039
Energy: 0.5693300191295938
Energy: 0.45516997117539926
Energy: 0.6369661971113053
Energy: 0.4094558288110826
Energy: 0.4084596964317372
Energy: 0.40945582880766535
Energy: 0.5738386871282922
Energy: 0.4083305036031698
Energy: 0.40882073750439374
Energy: 0.4083305036043089
Energy: 0.6664472523311814
Energy: 0.40881367196628426
Energy: 0.4083133788245471
Energy: 0.4088136719583107

minimum gb energy = 0.4079500947021564 eV
minimum distance =  2.57781881350221 Angstroms
sigma value = 37


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

Energy: 0.5687713382998386
Energy: 0.3783533698935885
Energy: 0.3779710002505891
Energy: 0.421203039297245
Energy: 0.6109055595723648
Energy: 0.3782801558367254
Energy: 0.4703711123729715
Energy: 0.3782801558386852
Energy: 0.5507081733297046
Energy: 0.5077167255207624
Energy: 0.46828727299268497
Energy: 0.5077167255197825
Energy: 0.5491381004487245
Energy: 0.4239027664979156
Energy: 0.46924353837015853
Energy: 0.4239027664969357
Energy: 0.5698902771238368
Energy: 0.4250679933079791
Energy: 0.46609389728517314
Energy: 0.4250679933079791
Energy: 0.4365306058624628
Energy: 0.5078342225349949
Energy: 0.6091361843733595
Energy: 0.5078342225349949
Energy: 0.3759155433643356
Energy: 0.3785596761338729
Energy: 0.5719813065768486
Energy: 0.3785596761338729
Energy: 0.44014222247543744
Energy: 0.3786504532090002
Energy: 0.6055413013439539
Energy: 0.3786504532090002
Energy: 0.3780575894278934
Energy: 0.3790193611768947
Energy: 0.606047440778875
Energy: 0.3790193611768947
Energy: 0.3782009327513548
Energy: 0.3784584710600829
Energy: 0.64327641294562
Energy: 0.378458471059103
Energy: 0.37793736236705644
Energy: 0.3783533698916287
Energy: 0.5687713382988587
Energy: 0.3783533698906488
Energy: 0.47037111237199164
Energy: 0.3782801558367254
Energy: 0.6430534486529557
Energy: 0.3782801558357456
Energy: 0.46828727299268497
Energy: 0.5077167255207624
Energy: 0.5507081733306844
Energy: 0.5077167255197825
Energy: 0.46924353883245695
Energy: 0.4239027664988954
Energy: 0.5491381004487245
Energy: 0.4239027664979156
Energy: 0.466093897286153
Energy: 0.4250679933079791
Energy: 0.5698902771248167
Energy: 0.4250679933079791
Energy: 0.5836481751040443
Energy: 0.5078342225349949
Energy: 0.47128479618581026
Energy: 0.507834222534015
Energy: 0.5719813065748889
Energy: 0.3785596761328931
Energy: 0.37591554336531546
Energy: 0.3785596761328931
Energy: 0.6055413013400345
Energy: 0.3786504532099801
Energy: 0.44014222247543744
Energy: 0.3786504532090002
Energy: 0.606047440778875
Energy: 0.3790193611759148
Energy: 0.3780575894259337
Energy: 0.3790193611768947
Energy: 0.6109153585845317
Energy: 0.378458471059103
Energy: 0.37820093275233463
Energy: 0.378458471059103

minimum gb energy = 0.3759155433643356 eV
minimum distance =  2.59892131835101 Angstroms
sigma value = 25


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

Energy: 0.683190710539257
Energy: 0.3546422939230737
Energy: 0.3577191577198112
Energy: 0.39314782608853777
Energy: 0.5957955686692878
Energy: 0.35464149357570507
Energy: 0.4257124088132004
Energy: 0.35464149357493996
Energy: 0.5876794706459602
Energy: 0.46131066106828056
Energy: 0.42325275084161507
Energy: 0.46131066106828056
Energy: 0.48362368066561595
Energy: 0.4617619137521965
Energy: 0.5144124887483492
Energy: 0.46176191375066616
Energy: 0.5950056352144788
Energy: 0.47293988020156386
Energy: 0.5412201866804466
Energy: 0.4729398802030942
Energy: 0.49113144754050125
Energy: 0.5600981247480127
Energy: 0.5398919917273572
Energy: 0.5600981247472475
Energy: 0.48810983728609075
Energy: 0.4729312904285244
Energy: 0.5955078983517565
Energy: 0.47293129042469867
Energy: 0.5137490577697477
Energy: 0.529660662242365
Energy: 0.5388393856404532
Energy: 0.5296606622431302
Energy: 0.42361749737143134
Energy: 0.4611816080019205
Energy: 0.5944122566321461
Energy: 0.4611816080011553
Energy: 0.4260466318250802
Energy: 0.35464489219766393
Energy: 0.5957945547363322
Energy: 0.3546448921991942
Energy: 0.3547218644155706
Energy: 0.3554328059417412
Energy: 0.5825881817277844
Energy: 0.3554328059409761
Energy: 0.35525006668672
Energy: 0.35473063687127654
Energy: 0.5957786070589877
Energy: 0.35473063687280687
Energy: 0.3548924657322073
Energy: 0.3550391641555565
Energy: 0.5872055972199614
Energy: 0.3550391641555565
Energy: 0.42482981372584616
Energy: 0.3550017878271049
Energy: 0.5852681187605175
Energy: 0.35500178782480946
Energy: 0.4223101697834468
Energy: 0.354558548220832
Energy: 0.5965837785418582
Energy: 0.3545585482200669
Energy: 0.4267579762541216
Energy: 0.4614810106238315
Energy: 0.5895926182406303
Energy: 0.4614810106238315
Energy: 0.5416485354137647
Energy: 0.461576336053768
Energy: 0.5867675391197729
Energy: 0.4615763360514726
Energy: 0.4196847552663654
Energy: 0.5378824741811775
Energy: 0.5441651495785718
Energy: 0.5378824741804125
Energy: 0.5404080186631638
Energy: 0.5612216637617722
Energy: 0.48878256658878105
Energy: 0.5612216637633025
Energy: 0.5954873139168259
Energy: 0.4727320020201215
Energy: 0.4906068948241214
Energy: 0.4727320020201215
Energy: 0.583126915013528
Energy: 0.46245479672946327
Energy: 0.4243572166484657
Energy: 0.46245479673022843
Energy: 0.5955550350943165
Energy: 0.4611307565205774
Energy: 0.35589043133305653
Energy: 0.4611307565205774
Energy: 0.6333834310217865
Energy: 0.35496162497826783
Energy: 0.42348807093991897
Energy: 0.35496162498132844
Energy: 0.5401304691996283
Energy: 0.35652838211858695
Energy: 0.354757169062864
Energy: 0.3565283821178218
Energy: 0.5959529924207372
Energy: 0.354769131119341
Energy: 0.35551223718594754
Energy: 0.354769131119341
Energy: 0.5880482092382697
Energy: 0.3555171103020767
Energy: 0.3543804990260889
Energy: 0.355517110303607

minimum gb energy = 0.3543804990260889 eV
minimum distance =  2.59636751794468 Angstroms
sigma value = 41


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

Energy: 0.8023125387242587
Energy: 0.33682612347224483
Energy: 0.33664686587046266
Energy: 0.3725159251073707
Energy: 0.6163308485791673
Energy: 0.33686591525362625
Energy: 0.3919924071627349
Energy: 0.33686591525362625
Energy: 0.6282600615246186
Energy: 0.42693136406457244
Energy: 0.3931538411246209
Energy: 0.4269313640620632
Energy: 0.5496773041477574
Energy: 0.45098133361986886
Energy: 0.4897148113807789
Energy: 0.45098133361610504
Energy: 0.6144800077346038
Energy: 0.4717583218979272
Energy: 0.491101644436387
Energy: 0.4717583218941634
Energy: 0.5514601410179497
Energy: 0.527244874638065
Energy: 0.49152872148995774
Energy: 0.5272448746330466
Energy: 0.5499595467594417
Energy: 0.5285107934682801
Energy: 0.5742434126068646
Energy: 0.5285107934582434
Energy: 0.5433990181662677
Energy: 0.5226913102626823
Energy: 0.5098920155533817
Energy: 0.5226913102651916
Energy: 0.46499187824937255
Energy: 0.5239570878969668
Energy: 0.5721520419811418
Energy: 0.5239570878938304
Energy: 0.466026494536803
Energy: 0.36018247600628156
Energy: 0.6156223074168783
Energy: 0.3601824760087907
Energy: 0.39164641362593144
Energy: 0.35986159470689094
Energy: 0.7094836509587682
Energy: 0.3598615947075182
Energy: 0.3910543568297383
Energy: 0.35809501576074226
Energy: 0.6485491292123997
Energy: 0.3580950157582331
Energy: 0.3912424372092656
Energy: 0.359710563753718
Energy: 0.6260639926087475
Energy: 0.3597105637606183
Energy: 0.35731760485944325
Energy: 0.3586403620382029
Energy: 0.5872755054237241
Energy: 0.35864036203883015
Energy: 0.3600681667653998
Energy: 0.3580750739437192
Energy: 0.6064863240972654
Energy: 0.35807507394748295
Energy: 0.35694904580087067
Energy: 0.33327093255796764
Energy: 0.6096789360291558
Energy: 0.33327093255232193
Energy: 0.4072270760888839
Energy: 0.3330342691295609
Energy: 0.6046107250639087
Energy: 0.3330342691270517
Energy: 0.4065533021930403
Energy: 0.4063415907045871
Energy: 0.6097944314621349
Energy: 0.4063415907058417
Energy: 0.4095685591392061
Energy: 0.4513674956868947
Energy: 0.5532055693503336
Energy: 0.451367495693795
Energy: 0.49177161920030044
Energy: 0.40690471862889055
Energy: 0.5520071954709644
Energy: 0.4069047186301451
Energy: 0.5172946381899386
Energy: 0.4693767473071978
Energy: 0.5752729002327713
Energy: 0.4693767473090797
Energy: 0.49213489053700654
Energy: 0.46970623549532414
Energy: 0.5500291370927155
Energy: 0.4697062354972061
Energy: 0.5715634658958032
Energy: 0.46113092788126675
Energy: 0.5501668013189628
Energy: 0.46113092788440324
Energy: 0.5150549570630865
Energy: 0.5235524377161773
Energy: 0.48898943950016077
Energy: 0.52355243771555
Energy: 0.5746227301354502
Energy: 0.5236129962655497
Energy: 0.46729449075876567
Energy: 0.5236129962699123
Energy: 0.5913307110947634
Energy: 0.4269070190980182
Energy: 0.4925678080957332
Energy: 0.4269070190967636
Energy: 0.5873833456777802
Energy: 0.3888144992263928
Energy: 0.38903994486124177
Energy: 0.38881449922890193
Energy: 0.614645818726605
Energy: 0.38675997736523887
Energy: 0.38674234318892897
Energy: 0.38675997737339374
Energy: 0.587050920713199
Energy: 0.3377929490963194
Energy: 0.3889422609848311
Energy: 0.3377929490963194
Energy: 0.5905875360226202
Energy: 0.33776518384915
Energy: 0.336916471311174
Energy: 0.33776518384475895
Energy: 0.6152265794157985
Energy: 0.3364935547080485
Energy: 0.3377271136085562
Energy: 0.3364935547067939
Energy: 0.6255221762880621
Energy: 0.33793527904451653
Energy: 0.3370569190311447
Energy: 0.3379352790463984

minimum gb energy = 0.3330342691270517 eV
minimum distance =  2.59084626322958 Angstroms
sigma value = 15


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

Energy: 0.6469977301584452
Energy: 0.3189343068338472
Energy: 0.3188747367423739
Energy: 0.34437490764011364
Energy: 0.6215465404248895
Energy: 0.3140233919546846
Energy: 0.3620986099488624
Energy: 0.31402339195415313
Energy: 0.6174055147958412
Energy: 0.35441284967219405
Energy: 0.36068450403664654
Energy: 0.3544128496652857
Energy: 0.5488402882510318
Energy: 0.3539125722319017
Energy: 0.4414509029459304
Energy: 0.3539125722319017
Energy: 0.6221220693657495
Energy: 0.3556359906345935
Energy: 0.44391977766175134
Energy: 0.35563599063140505
Energy: 0.5512375884366132
Energy: 0.4850450389554849
Energy: 0.4459246737779597
Energy: 0.4850450389554849
Energy: 0.48694287515759066
Energy: 0.48232248275994194
Energy: 0.5227565908098926
Energy: 0.4823224827588791
Energy: 0.5576647045522467
Energy: 0.5034873393806479
Energy: 0.4416138392217848
Energy: 0.5034873393806479
Energy: 0.48563693757319076
Energy: 0.500853423512867
Energy: 0.5184041701219939
Energy: 0.5008534235118042
Energy: 0.48445058322588475
Energy: 0.4842642354332202
Energy: 0.5831817349863514
Energy: 0.48426423543428304
Energy: 0.44182365463508627
Energy: 0.4109923575884673
Energy: 0.5796323875226622
Energy: 0.41099235759059294
Energy: 0.39604285845681325
Energy: 0.45231425081553833
Energy: 0.5833465510441046
Energy: 0.4523142508160698
Energy: 0.44775675552985467
Energy: 0.356577844805698
Energy: 0.5839009119202017
Energy: 0.3565778448078237
Energy: 0.3545818619437819
Energy: 0.35379249281697717
Energy: 0.5240024072356734
Energy: 0.35379249281697717
Energy: 0.35444569727874303
Energy: 0.35467942086886667
Energy: 0.6201626316756714
Energy: 0.3546794208693981
Energy: 0.3545436017932096
Energy: 0.3143751518608762
Energy: 0.5864188209629732
Energy: 0.3143751518486539
Energy: 0.3143501184270331
Energy: 0.31548266795570623
Energy: 0.5890105775165617
Energy: 0.31548266795092356
Energy: 0.3140968760821697
Energy: 0.31385592206506596
Energy: 0.6192815141282014
Energy: 0.3138559220666602
Energy: 0.3142364595468207
Energy: 0.3153437801496473
Energy: 0.55459070030922
Energy: 0.3153437801480531
Energy: 0.3533471934287917
Energy: 0.3144792777944199
Energy: 0.620897292692864
Energy: 0.31447927779070006
Energy: 0.3526074320882701
Energy: 0.35419560713177417
Energy: 0.6194719287914642
Energy: 0.35419560713177417
Energy: 0.3534176192809181
Energy: 0.3539789455881964
Energy: 0.5562171422435952
Energy: 0.3539789455871336
Energy: 0.44850683821752657
Energy: 0.3554494466906399
Energy: 0.5497535019668396
Energy: 0.3554494466800117
Energy: 0.4429179399050552
Energy: 0.4531172607617989
Energy: 0.5845790662130501
Energy: 0.4531172607617989
Energy: 0.4417336989016687
Energy: 0.45171765915190587
Energy: 0.5115286781573136
Energy: 0.45171765915190587
Energy: 0.5185296289644318
Energy: 0.501259730875378
Energy: 0.5839024763061874
Energy: 0.501259730875378
Energy: 0.4433070669454937
Energy: 0.5017100287404642
Energy: 0.519847347105922
Energy: 0.5017100287388699
Energy: 0.5180634627666432
Energy: 0.5045336944411287
Energy: 0.4910891472302793
Energy: 0.5045336944405974
Energy: 0.5210219320423028
Energy: 0.48773903667803165
Energy: 0.5219827658141353
Energy: 0.4877390366764374
Energy: 0.5184470717130456
Energy: 0.48579555445699835
Energy: 0.44670415872234515
Energy: 0.48579555445593553
Energy: 0.6186432804022576
Energy: 0.45328247184999915
Energy: 0.39595972726381645
Energy: 0.45328247185053056
Energy: 0.5230189562789099
Energy: 0.3536376109935876
Energy: 0.44209138331218395
Energy: 0.35363761099730745
Energy: 0.5845074460008866
Energy: 0.3536043335631473
Energy: 0.3583421905960618
Energy: 0.3536043335620845
Energy: 0.6218342099308349
Energy: 0.31394916816569496
Energy: 0.3569852430315505
Energy: 0.31394916816622637
Energy: 0.582573652042388
Energy: 0.35633779879331895
Energy: 0.35366163103950743
Energy: 0.3563377987923044
Energy: 0.6511655505076088
Energy: 0.3143914883873471
Energy: 0.31765608473936674
Energy: 0.3143914883873471
Energy: 0.6162848582938484
Energy: 0.31444854566708963
Energy: 0.3186213200429883
Energy: 0.3144485456660268

minimum gb energy = 0.31385592206506596 eV
minimum distance =  2.59030528033664 Angstroms
sigma value = 85


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

Energy: 0.6832133552847519
Energy: 0.2856814415798513
Energy: 0.28560583506677
Energy: 0.33796743019337766
Energy: 0.6147981822865427
Energy: 0.28574984446723667
Energy: 0.3184387508191581
Energy: 0.28574984446861934
Energy: 0.5518717497131088
Energy: 0.31980041646406676
Energy: 0.3184452212310251
Energy: 0.3198004164636059
Energy: 0.49282711612679747
Energy: 0.2865980069419167
Energy: 0.3987824732273703
Energy: 0.2865980069414558
Energy: 0.6156690993477999
Energy: 0.31973369480637126
Energy: 0.39753323121982714
Energy: 0.31973369480729313
Energy: 0.49419438915234387
Energy: 0.4362152750099789
Energy: 0.39798101273083203
Energy: 0.436215275009518
Energy: 0.49347625613801044
Energy: 0.3525346594206354
Energy: 0.4669508400769311
Energy: 0.3525346594224789
Energy: 0.5602224541273209
Energy: 0.45894927364483395
Energy: 0.39705905637123073
Energy: 0.45894927364437305
Energy: 0.4944546363516846
Energy: 0.45891642993413195
Energy: 0.46795823593763364
Energy: 0.45891642993367104
Energy: 0.49495739254051047
Energy: 0.46160779964944426
Energy: 0.5250766226306979
Energy: 0.4616077996503661
Energy: 0.46693237991891917
Energy: 0.4444469760598674
Energy: 0.508191234240767
Energy: 0.4444469760607892
Energy: 0.43905199706869574
Energy: 0.45890397892544477
Energy: 0.5253649207819978
Energy: 0.45890397892544477
Energy: 0.46631794335323246
Energy: 0.35280941502659235
Energy: 0.5238326843761155
Energy: 0.35280941502705326
Energy: 0.3976535929336474
Energy: 0.31953918896319633
Energy: 0.4647022771558886
Energy: 0.31953918896503986
Energy: 0.3524179636758204
Energy: 0.3528836522599917
Energy: 0.5835162738744367
Energy: 0.352883652245704
Energy: 0.39741340482316334
Energy: 0.3198331584429682
Energy: 0.5234976070665398
Energy: 0.3198331584425073
Energy: 0.31897428710600434
Energy: 0.2869998892353828
Energy: 0.5224617314737215
Energy: 0.2869998892353828
Energy: 0.3185749162017432
Energy: 0.3192414596782262
Energy: 0.6142910559358002
Energy: 0.3192414596777653
Energy: 0.31920779416256084
Energy: 0.28656376330062777
Energy: 0.5804423076187389
Energy: 0.28656376330154965
Energy: 0.28577931509141047
Energy: 0.2869735586247847
Energy: 0.580372353982665
Energy: 0.28697355862616736
Energy: 0.2863008061430308
Energy: 0.28601785215553444
Energy: 0.6149789482912198
Energy: 0.2860178521546126
Energy: 0.28592942520653664
Energy: 0.28655272311778957
Energy: 0.5503159131446872
Energy: 0.28655272311640684
Energy: 0.31873562260783767
Energy: 0.28598323276730375
Energy: 0.6098276721628689
Energy: 0.2859832327654602
Energy: 0.3205422299729271
Energy: 0.3196291602996899
Energy: 0.6148575255944841
Energy: 0.31962916030015076
Energy: 0.31891771667954805
Energy: 0.28588402319761497
Energy: 0.4930404513875117
Energy: 0.2858840231971541
Energy: 0.40007936285178064
Energy: 0.31950854840761395
Energy: 0.6124447652225739
Energy: 0.3195085484136056
Energy: 0.39859089936278924
Energy: 0.3529697465817615
Energy: 0.5526647684751845
Energy: 0.35296974657669167
Energy: 0.4669382852942089
Energy: 0.3526885385971005
Energy: 0.493316646142633
Energy: 0.3526885385975614
Energy: 0.4677258580710785
Energy: 0.44408681795870564
Energy: 0.5825955818800463
Energy: 0.4440868179600883
Energy: 0.46687828095067685
Energy: 0.45862055695903303
Energy: 0.49466639572172455
Energy: 0.45862055695949394
Energy: 0.5242811469273826
Energy: 0.4589359129568621
Energy: 0.4383669820144435
Energy: 0.4589359129568621
Energy: 0.46542680563535493
Energy: 0.45903125070007
Energy: 0.5243899515535178
Energy: 0.45903125069960915
Energy: 0.5248530120119596
Energy: 0.4586118367842771
Energy: 0.4363349530853828
Energy: 0.4586118367838371
Energy: 0.5825629722051218
Energy: 0.44387205930453294
Energy: 0.4368925896234572
Energy: 0.4438720593059156
Energy: 0.5071661248877546
Energy: 0.3521406440983222
Energy: 0.4608339436241635
Energy: 0.352140644099244
Energy: 0.5830329404093907
Energy: 0.3530562842379731
Energy: 0.39832283380243216
Energy: 0.35305628423612956
Energy: 0.5825580960554708
Energy: 0.3191838539964248
Energy: 0.39777663426552323
Energy: 0.3191838539964248
Energy: 0.5224147023290681
Energy: 0.285777819531739
Energy: 0.3190938678718476
Energy: 0.28577781953081716
Energy: 0.6154084738034679
Energy: 0.3197637197529282
Energy: 0.31993615619434074
Energy: 0.3197637197529282
Energy: 0.580623010626235
Energy: 0.28613717144156264
Energy: 0.3189486854805699
Energy: 0.28613717144248446
Energy: 0.5219851227567374
Energy: 0.28694186003331573
Energy: 0.28583402095616
Energy: 0.2869418600300895
Energy: 0.6150184864286586
Energy: 0.28577782945770275
Energy: 0.2860089160403844
Energy: 0.2857778294581636
Energy: 0.5503668444258337
Energy: 0.28694511605265033
Energy: 0.2856523337287333
Energy: 0.2869451160535721

minimum gb energy = 0.28560583506677 eV
minimum distance =  2.59381424560004 Angstroms
sigma value = 113


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

Energy: 0.01154611497534892
Energy: 0.3304817913566987
Energy: 0.5308729440780001
Energy: 0.012064506594764997
Energy: 0.26515487331680115
Energy: 0.06647214581126647
Energy: 0.2640597519628917
Energy: 0.06647214581230972
Energy: 0.011904719529589238
Energy: 0.06607396512312756
Energy: 0.2637585358085119
Energy: 0.06607396512106076
Energy: 0.012921053617396793
Energy: 0.06548958773136859
Energy: 0.263406684672552
Energy: 0.06548958773170321
Energy: 0.26312450991450453
Energy: 0.06542756682632891
Energy: 0.2633505918446184
Energy: 0.06542756682632891
Energy: 0.011852692040478494
Energy: 0.06586420085728353
Energy: 0.2633824435275037
Energy: 0.06586420085797247

minimum gb energy = 0.01154611497534892 eV
minimum distance =  2.82252594320106 Angstroms
sigma value = 1