Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_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=4.044650822877884
cohesive_energy=3.3602642529232347
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: 0.010383043221902886
Energy: 0.010868167323930325
Energy: 0.3829919880023769
Energy: 0.010868167323930325
Energy: 0.010868167323930325
Energy: 0.5098362963587192
Energy: 0.010868167323930325
Energy: 0.5098362963587192
Energy: 0.3829919880023769
Energy: 0.010868167323930325
Energy: 0.010383043221902886
Energy: 0.010868167323930325
Energy: 0.010868167323930325
Energy: 0.5098362963587192
Energy: 0.010868167323930325
Energy: 0.5098362963587192

minimum gb energy = 0.010383043221902886 eV
minimum distance =  2.70790589632557 Angstroms
sigma value = 1


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

Energy: 0.5704700058863755
Energy: 0.5618968510308106
Energy: 0.6278145891274474
Energy: 0.5618968510302029
Energy: 0.5593938994304201
Energy: 0.5699725567263867
Energy: 0.5406652079867206
Energy: 0.5699725567269944
Energy: 0.5398796859031113
Energy: 0.5539260143519957
Energy: 0.5535979473210679
Energy: 0.5539260143519957
Energy: 0.5431455908785734
Energy: 0.572981354615332
Energy: 0.5444387430317948
Energy: 0.5729813546147243
Energy: 0.5448621760716434
Energy: 0.5683419489157615
Energy: 0.5567062641476574
Energy: 0.5683419489157615
Energy: 0.5390224712124493
Energy: 0.6249774396227811
Energy: 0.5355950436585631
Energy: 0.6249774396227811
Energy: 0.560933683114112
Energy: 0.5521724810535293
Energy: 0.5395008219100513
Energy: 0.5521724810535293
Energy: 0.5241936141381386
Energy: 0.5659009136867291
Energy: 0.5367742001955116
Energy: 0.5659009136873367
Energy: 0.5442185166234609
Energy: 0.5505701557795768
Energy: 0.5627680674608063
Energy: 0.5505701557789692
Energy: 0.5396606588634617
Energy: 0.5532102316062649
Energy: 0.5248007845239148
Energy: 0.5532102316056573
Energy: 0.5360374802173312
Energy: 0.5680647674945156
Energy: 0.5441848347366505
Energy: 0.5680647674945156
Energy: 0.5735397808072724
Energy: 0.565840494582829
Energy: 0.5445101103765068
Energy: 0.565840494582829
Energy: 0.5395154090316547
Energy: 0.5541765417066826
Energy: 0.561174196436954
Energy: 0.5541765417060749
Energy: 0.5521302787931242
Energy: 0.5620063011788683
Energy: 0.543133647467199
Energy: 0.5620063011788683
Energy: 0.5521623733061455
Energy: 0.5619255943862553
Energy: 0.5484610741400622
Energy: 0.5619255943862553
Energy: 0.5559541471195694
Energy: 0.5619129686382833
Energy: 0.5521728865215223
Energy: 0.5619129686382833
Energy: 0.5538549034860751
Energy: 0.5538416803729501
Energy: 0.5342215773094503
Energy: 0.5538416803729501
Energy: 0.5406096581033044
Energy: 0.5624081310965354
Energy: 0.5729245497954373
Energy: 0.562408131097143
Energy: 0.5351582286639901
Energy: 0.5641756570810841
Energy: 0.5457572180607615
Energy: 0.5641756570810841
Energy: 0.5516094540526757
Energy: 0.6253878939219759
Energy: 0.5451471084982784
Energy: 0.6253878939213683
Energy: 0.5400861770049165
Energy: 0.553815967580011
Energy: 0.5240513700533236
Energy: 0.553815967580011
Energy: 0.5443524913924921
Energy: 0.6364189632324981
Energy: 0.5519774306987109
Energy: 0.6364189632324981
Energy: 0.5523265751582795
Energy: 0.5683371283351131
Energy: 0.5340293477197999
Energy: 0.5683371283357206
Energy: 0.5481679835922568
Energy: 0.5535430275599523
Energy: 0.5390393148301754
Energy: 0.5535430275599523
Energy: 0.5394598711993447
Energy: 0.6279464990299553
Energy: 0.5616939619125183
Energy: 0.6279464990299553
Energy: 0.5467949908669811
Energy: 0.5657774072847436
Energy: 0.5451933532375276
Energy: 0.565777407284136
Energy: 0.5543639592688377
Energy: 0.6220777021716604
Energy: 0.5442825592887313
Energy: 0.6220777021716604
Energy: 0.5361001506178911
Energy: 0.5521719774753978
Energy: 0.5596837491490257
Energy: 0.5521719774760054
Energy: 0.5588419478899528
Energy: 0.5677843714532906
Energy: 0.5380384811904497
Energy: 0.5677843714532906
Energy: 0.570802314369699
Energy: 0.5624300573106048
Energy: 0.5762429009279683
Energy: 0.5624300573106048
Energy: 0.5611077011279533
Energy: 0.5591463662466654
Energy: 0.5394499705950162
Energy: 0.5591463662466654
Energy: 0.5460826505956848
Energy: 0.556312543190567
Energy: 0.5521201213320444
Energy: 0.5563125431911746
Energy: 0.5447121689607988
Energy: 0.5731599317679446
Energy: 0.5460547869607144
Energy: 0.5731599317679446

minimum gb energy = 0.5240513700533236 eV
minimum distance =  2.56915911341228 Angstroms
sigma value = 1


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

Energy: 0.5947491016582781
Energy: 0.6040386153145693
Energy: 0.6122266162870059
Energy: 0.6040386153152622
Energy: 0.5747335728240368
Energy: 0.594866159299621
Energy: 0.5582455105427262
Energy: 0.594866159299621
Energy: 0.569542789622334
Energy: 0.606920186489113
Energy: 0.5691751057752638
Energy: 0.60692018648842
Energy: 0.5599639801343985
Energy: 0.6036560708588989
Energy: 0.5610064834695888
Energy: 0.6036560708588989
Energy: 0.5602538631409077
Energy: 0.5898762440708603
Energy: 0.5955860718059833
Energy: 0.5898762440729387
Energy: 0.6034814503305713
Energy: 0.5900923608126685
Energy: 0.5717805478369269
Energy: 0.5900923608126685
Energy: 0.5747488785794844
Energy: 0.6365541550436085
Energy: 0.5648228032267635
Energy: 0.6365541550422542
Energy: 0.5457444038391194
Energy: 0.6049079228371727
Energy: 0.5626951231551803
Energy: 0.6049079228364799
Energy: 0.559808592432892
Energy: 0.6711416260906773
Energy: 0.5475145009124747
Energy: 0.6711416260906773
Energy: 0.5652611291732118
Energy: 0.6050540164505452
Energy: 0.5789142002979893
Energy: 0.6050540164491596
Energy: 0.5748817622988704
Energy: 0.5856096444361335
Energy: 0.5604882810169115
Energy: 0.5856096444354407
Energy: 0.5524832017037519
Energy: 0.5963013811947344
Energy: 0.5899019184925575
Energy: 0.5963013811947344
Energy: 0.5804565372509263
Energy: 0.5875462044769367
Energy: 0.5669906569467238
Energy: 0.5875462044776297
Energy: 0.5798363408074354
Energy: 0.5875395361890029
Energy: 0.5769732059157373
Energy: 0.5875395361896957
Energy: 0.5525178196634719
Energy: 0.5963045852606901
Energy: 0.571283629821249
Energy: 0.5963045852599972
Energy: 0.5748323645861243
Energy: 0.5858834932429621
Energy: 0.5582131379678421
Energy: 0.5858834932429621
Energy: 0.5651287146229386
Energy: 0.6050508979734881
Energy: 0.5597020664404796
Energy: 0.6050508979721025
Energy: 0.5598178478664604
Energy: 0.6711745361992044
Energy: 0.5475337482903458
Energy: 0.6711745361985114
Energy: 0.5457306552882542
Energy: 0.6065116391168902
Energy: 0.5609842460578434
Energy: 0.6065116391161973
Energy: 0.5747197414681613
Energy: 0.6364160393457627
Energy: 0.5609180688470068
Energy: 0.6364160393443771
Energy: 0.6035300011312773
Energy: 0.5898302858195843
Energy: 0.562117227060334
Energy: 0.5898302858195843
Energy: 0.5600218556632021
Energy: 0.5898659803181937
Energy: 0.5550971727049425
Energy: 0.5898659803181937
Energy: 0.5601291404706148
Energy: 0.6035863348803022
Energy: 0.5583050446614864
Energy: 0.603586334880995
Energy: 0.5696438433579538
Energy: 0.6068751866745135
Energy: 0.569112714919217
Energy: 0.6068751866745135
Energy: 0.5748001448517305
Energy: 0.5950184722527387
Energy: 0.5581121511666551
Energy: 0.5950184722527387
Energy: 0.5947491016582781
Energy: 0.6040386153145693
Energy: 0.6237048954891576
Energy: 0.6040386153152622
Energy: 0.5747335728247296
Energy: 0.594866159299621
Energy: 0.5582455105420333
Energy: 0.594866159299621
Energy: 0.569542789622334
Energy: 0.606920186489113
Energy: 0.5783582180607977
Energy: 0.60692018648842
Energy: 0.5599639801343985
Energy: 0.6036560708595917
Energy: 0.5583885425887503
Energy: 0.6036560708588989

minimum gb energy = 0.5457306552882542 eV
minimum distance =  2.52355323263352 Angstroms
sigma value = 25


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

Energy: 0.6085117493063883
Energy: 0.6264338637369216
Energy: 0.6887813819960819
Energy: 0.6264338637377268
Energy: 0.5801353422545317
Energy: 0.6274945750195969
Energy: 0.5877287446180028
Energy: 0.6274945750195969
Energy: 0.5785646713605789
Energy: 0.6524420414047116
Energy: 0.5883182364075972
Energy: 0.6524420414047116
Energy: 0.58786618104336
Energy: 0.6440810550762077
Energy: 0.5789753260962672
Energy: 0.6440810550770132
Energy: 0.5809779228216837
Energy: 0.6284418330095787
Energy: 0.5818327159624137
Energy: 0.6284418330095787
Energy: 0.6345684656656959
Energy: 0.6534166304451358
Energy: 0.5930450777393796
Energy: 0.6534166304451358
Energy: 0.5787088949246131
Energy: 0.6764414056634024
Energy: 0.5936721957538803
Energy: 0.6764414056634024
Energy: 0.6816087985916858
Energy: 0.628143731655857
Energy: 0.5710007750255635
Energy: 0.6281437316550516
Energy: 0.5936061891713449
Energy: 0.609347825931903
Energy: 0.5787132915657007
Energy: 0.609347825931903
Energy: 0.5980205798697658
Energy: 0.6533691384532334
Energy: 0.5761447786572662
Energy: 0.6533691384532334
Energy: 0.5791682724189603
Energy: 0.625693643126823
Energy: 0.5856476821577903
Energy: 0.6256936431276284
Energy: 0.5709943761443268
Energy: 0.6265285280217648
Energy: 0.5856349057973751
Energy: 0.6265285280217648
Energy: 0.5883472071415333
Energy: 0.6452435848041007
Energy: 0.5758465527539455
Energy: 0.6452435848041007
Energy: 0.593825851800214
Energy: 0.6405335661588505
Energy: 0.5803423381809166
Energy: 0.6405335661580451
Energy: 0.5844475244706551
Energy: 0.6287137122864762
Energy: 0.569950968290905
Energy: 0.6287137122864762
Energy: 0.5785243226628782
Energy: 0.5893008358255342
Energy: 0.5808677393614781
Energy: 0.5893008358255342
Energy: 0.5696313341246968
Energy: 0.6524897639162758
Energy: 0.5670955759829933
Energy: 0.6524897639162758
Energy: 0.5789401562981116
Energy: 0.6152797089120691
Energy: 0.5805557790918994
Energy: 0.6152797089128743
Energy: 0.577566571022716
Energy: 0.6450950033132044
Energy: 0.5811393020315616
Energy: 0.6450950033132044
Energy: 0.592915057067827
Energy: 0.6537507710509072
Energy: 0.5862932485364236
Energy: 0.6537507710509072
Energy: 0.5912060534371194
Energy: 0.6272804787235887
Energy: 0.5857191420324686
Energy: 0.6272804787235887
Energy: 0.6093872742635148
Energy: 0.6276184748321524
Energy: 0.6365023550830641
Energy: 0.6276184748321524
Energy: 0.5787681946757307
Energy: 0.6151145009592475
Energy: 0.5862721508141008
Energy: 0.6151145009592475
Energy: 0.5818074348443695
Energy: 0.6518567050680963
Energy: 0.597361633668246
Energy: 0.6518567050680963
Energy: 0.5859086914283058
Energy: 0.6246043585568913
Energy: 0.5788377209481075
Energy: 0.6246043585568913

minimum gb energy = 0.5670955759829933 eV
minimum distance =  2.52540750984539 Angstroms
sigma value = 9


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

Energy: 0.6160781767216253
Energy: 0.6828264411603189
Energy: 0.7739782879554039
Energy: 0.6828264411603189
Energy: 0.6072796459812183
Energy: 0.6472262882198667
Energy: 0.5971538215457305
Energy: 0.6472262882198667
Energy: 0.5906978094670221
Energy: 0.6856666665585767
Energy: 0.5971946026652994
Energy: 0.6856666665585767
Energy: 0.5968583900653078
Energy: 0.7000573025522581
Energy: 0.5961512443288012
Energy: 0.7000573025522581
Energy: 0.6637197700017599
Energy: 0.6444897588441953
Energy: 0.5975238441424077
Energy: 0.6444897588441953
Energy: 0.5843931203861037
Energy: 0.6861614288229132
Energy: 0.5979078459385846
Energy: 0.6861614288229132
Energy: 0.5964787613202595
Energy: 0.5949964828386234
Energy: 0.5955619485304136
Energy: 0.5949964828386234
Energy: 0.6590723580334218
Energy: 0.6858624571472446
Energy: 0.5935601644420259
Energy: 0.6858624571472446
Energy: 0.5963850029554197
Energy: 0.6470325188612644
Energy: 0.5974225009236128
Energy: 0.6470325188622253
Energy: 0.5965192678075992
Energy: 0.6819611278851316
Energy: 0.59812441497846
Energy: 0.6819611278851316
Energy: 0.5891000999411986
Energy: 0.6722606185451349
Energy: 0.5940788644954729
Energy: 0.6722606185441741
Energy: 0.5968200868225257
Energy: 0.655192059826169
Energy: 0.5961227451831015
Energy: 0.655192059826169
Energy: 0.5843723304077246
Energy: 0.685913174023039
Energy: 0.5990908016083182
Energy: 0.685913174023039
Energy: 0.6237347432828078
Energy: 0.6010199368027113
Energy: 0.597177308229699
Energy: 0.6010199368017505
Energy: 0.5843806196957783
Energy: 0.685741428784739
Energy: 0.6579348955261444
Energy: 0.6857414287856999
Energy: 0.5968027251725158
Energy: 0.6551503757148938
Energy: 0.5961297395434669
Energy: 0.6551503757148938
Energy: 0.5891044068038812
Energy: 0.6722234600100943
Energy: 0.5972977685181646
Energy: 0.6722234600100943
Energy: 0.5965273883677014
Energy: 0.6819290198419162
Energy: 0.5981393911101397
Energy: 0.6819290198419162
Energy: 0.5962912388620406
Energy: 0.6470623546861439
Energy: 0.5974909233080234
Energy: 0.6470623546861439
Energy: 0.6590551181576016
Energy: 0.6860215495046181
Energy: 0.5936388045347493
Energy: 0.686021549505579
Energy: 0.5964362887542151
Energy: 0.5949742648482439
Energy: 0.5955621701999463
Energy: 0.5949742648482439

minimum gb energy = 0.5843723304077246 eV
minimum distance =  2.65181185521144 Angstroms
sigma value = 25


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

Energy: 0.6039452869796056
Energy: 0.7081751599294349
Energy: 0.7956144599189433
Energy: 0.7081751599294349
Energy: 0.5929880407852285
Energy: 0.601542311177469
Energy: 0.5880369578445439
Energy: 0.6015423111691516
Energy: 0.5881032651300739
Energy: 0.6577640216204427
Energy: 0.5951297812938078
Energy: 0.6577640216287599
Energy: 0.6033993732916604
Energy: 0.658549403107378
Energy: 0.677812013750369
Energy: 0.658549403107378
Energy: 0.6769669106252019
Energy: 0.5928461012589921
Energy: 0.6126830201750014
Energy: 0.5928461012589921
Energy: 0.5903652321305278
Energy: 0.7330814703268319
Energy: 0.5889925837268191
Energy: 0.7330814703268319
Energy: 0.6128994532991833
Energy: 0.6571309923738614
Energy: 0.5877026787665967
Energy: 0.6571309923738614
Energy: 0.6704265471396724
Energy: 0.70875183284519
Energy: 0.6031798101571505
Energy: 0.7087518328463782
Energy: 0.5952062891778148
Energy: 0.6597802254051169
Energy: 0.5931443562111046
Energy: 0.6597802254051169
Energy: 0.6880795008208015
Energy: 0.6733840026303508
Energy: 0.590259139188145
Energy: 0.6733840026291625
Energy: 0.6251316596851811
Energy: 0.7081460928459934
Energy: 0.7584667676115817
Energy: 0.7081460928459934
Energy: 0.5882648864368379
Energy: 0.6073905350465008
Energy: 0.690027706940884
Energy: 0.6073905350465008
Energy: 0.679929865264561
Energy: 0.6729736475659641
Energy: 0.5876385218690073
Energy: 0.6729736475647758
Energy: 0.587859561971077
Energy: 0.6630631334693804
Energy: 0.6034046578610328
Energy: 0.6630631334693804
Energy: 0.6018510487182476
Energy: 0.707761155194494
Energy: 0.670714992386679
Energy: 0.707761155194494
Energy: 0.5952660452817155
Energy: 0.6730534171547855
Energy: 0.5903757232525656
Energy: 0.6730534171547855
Energy: 0.5951119919505616
Energy: 0.6258517596357215
Energy: 0.6882530353065778
Energy: 0.6258517596357215

minimum gb energy = 0.5876385218690073 eV
minimum distance =  2.61398468912351 Angstroms
sigma value = 17


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

Energy: 0.6592492936507786
Energy: 0.660037263923812
Energy: 0.8239268392389737
Energy: 0.660037263923812
Energy: 0.6848567408533018
Energy: 0.6292076372844595
Energy: 0.6007648511735318
Energy: 0.6292076372844595
Energy: 0.690655615166323
Energy: 0.6579462367940543
Energy: 0.6043879148208282
Energy: 0.6579462367940543
Energy: 0.5999571701608479
Energy: 0.6043849881746702
Energy: 0.6499734493786709
Energy: 0.6043849881746702
Energy: 0.7023266246542518
Energy: 0.6746710109179109
Energy: 0.6078516180322193
Energy: 0.6746710109179109
Energy: 0.6045273868829816
Energy: 0.6132523816057441
Energy: 0.6856810133779552
Energy: 0.6132523816057441
Energy: 0.601449460147358
Energy: 0.6545543650588272
Energy: 0.6046175221398484
Energy: 0.6545543650588272
Energy: 0.6844096418934221
Energy: 0.6046912159201565
Energy: 0.6056846453664908
Energy: 0.6046912159194837
Energy: 0.60464363769186
Energy: 0.6765674748421731
Energy: 0.6945204507152152
Energy: 0.6765674748421731
Energy: 0.7465734333581886
Energy: 0.6346681811746734
Energy: 0.6025794356006482
Energy: 0.6346681811753463
Energy: 0.6006207776184928
Energy: 0.6055777828459963
Energy: 0.6921190417854913
Energy: 0.6055777828466693
Energy: 0.605234117214166
Energy: 0.6523336993611472
Energy: 0.6062465671008137
Energy: 0.6523336993611472
Energy: 0.6856758953502956
Energy: 0.6058505171301944
Energy: 0.6047123802046275
Energy: 0.6058505171295215
Energy: 0.602434769827672
Energy: 0.609953106229042
Energy: 0.6848556961094665
Energy: 0.609953106191388
Energy: 0.6523765866192952
Energy: 0.6545828751931092
Energy: 0.6048345237146727
Energy: 0.6545828751931092
Energy: 0.6849639562655854
Energy: 0.6047961563194761
Energy: 0.6998042984263538
Energy: 0.6047961563201489
Energy: 0.6044295473172485
Energy: 0.6426958319898669
Energy: 0.697721051505709
Energy: 0.6426958319905094
Energy: 0.6837941698916619
Energy: 0.6578381855515997
Energy: 0.6043396630733587
Energy: 0.6578381855522727
Energy: 0.6009840992627908
Energy: 0.658420763501713
Energy: 0.6455462760970468
Energy: 0.6584207635023859
Energy: 0.6005825793318412
Energy: 0.60551834887639
Energy: 0.6001190038992114
Energy: 0.605518348875717
Energy: 0.6492224297678802
Energy: 0.658332903089209
Energy: 0.690817487269935
Energy: 0.658332903089209
Energy: 0.6017301636841357
Energy: 0.6885636096487162
Energy: 0.7460233766267409
Energy: 0.6885636096493893
Energy: 0.6990862249025545
Energy: 0.6598484314327794
Energy: 0.5988620254623659
Energy: 0.6598484314327794
Energy: 0.6038080674858768
Energy: 0.6562458389473416
Energy: 0.6834680555590394
Energy: 0.6562458389473416
Energy: 0.6039721235605205
Energy: 0.658055945884338
Energy: 0.684446854449293
Energy: 0.6580559458850108
Energy: 0.6964195349141078
Energy: 0.6047927892564554
Energy: 0.599503825193514
Energy: 0.6047927892571282
Energy: 0.607290166644625
Energy: 0.6891395408536087
Energy: 0.7588683144959171
Energy: 0.6891395408536087
Energy: 0.6862657501099201
Energy: 0.6130828700479308
Energy: 0.6914392451487481
Energy: 0.6130828700492768
Energy: 0.7266737847876288
Energy: 0.6062251780793079
Energy: 0.6013431160773043
Energy: 0.6062251780799809
Energy: 0.6046488238958911
Energy: 0.6776481894527924
Energy: 0.685406246608437
Energy: 0.6776481894527924

minimum gb energy = 0.5988620254623659 eV
minimum distance =  2.49535161137541 Angstroms
sigma value = 53


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

Energy: 0.5521523623330892
Energy: 0.5523335219218235
Energy: 0.8565278331341974
Energy: 0.5523335219218235
Energy: 0.6732055914761427
Energy: 0.6007986634064418
Energy: 0.6464825100687044
Energy: 0.6007986634064418
Energy: 0.5527806771058758
Energy: 0.5526699451663382
Energy: 0.5739008932934111
Energy: 0.5526699451663382
Energy: 0.5528137166274568
Energy: 0.5526944991520535
Energy: 0.5739370259839359
Energy: 0.5526944991520535
Energy: 0.6732695460309374
Energy: 0.6007915772805767
Energy: 0.657903443563688
Energy: 0.6007915772805767
Energy: 0.5521523623315399
Energy: 0.5523335219233726
Energy: 0.8094832072431362
Energy: 0.5523335219218235
Energy: 0.6732055914761427
Energy: 0.6007986634064418
Energy: 0.666949608383451
Energy: 0.6007986634064418
Energy: 0.5527806771058758
Energy: 0.5526699451663382
Energy: 0.640356324473981
Energy: 0.5526699451663382
Energy: 0.5528137166274568
Energy: 0.5526944991520535
Energy: 0.6477165839335317
Energy: 0.5526944991520535
Energy: 0.6732695460293882
Energy: 0.6007915772805767
Energy: 0.6470831866456339
Energy: 0.6007915772805767
Energy: 0.5521523623315399
Energy: 0.5523335219218235
Energy: 0.7696249661886806
Energy: 0.5523335219218235
Energy: 0.673205591477692
Energy: 0.6007986634064418
Energy: 0.6669496083819018
Energy: 0.6007986634064418
Energy: 0.5527806771043265
Energy: 0.5526699451663382
Energy: 0.6672140614274708
Energy: 0.5526699451663382

minimum gb energy = 0.5521523623315399 eV
minimum distance =  2.60635031024793 Angstroms
sigma value = 9


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

Energy: 0.6202789184700627
Energy: 0.6288586645243823
Energy: 0.8345779596315915
Energy: 0.6288586645249556
Energy: 0.7517842528688772
Energy: 0.6502756780178979
Energy: 0.6340688829935792
Energy: 0.6502756780173246
Energy: 0.6278262941715989
Energy: 0.6146000464507616
Energy: 0.6377779873059455
Energy: 0.6146000464507616
Energy: 0.7029368150743556
Energy: 0.7303635511304584
Energy: 0.6352797135719598
Energy: 0.7303635511304584
Energy: 0.6925554061113394
Energy: 0.6414902167252035
Energy: 0.6375939889064612
Energy: 0.6414902167252035
Energy: 0.6142891592304014
Energy: 0.6140709273311687
Energy: 0.7257590621308468
Energy: 0.6140709273311687
Energy: 0.8228094263627097
Energy: 0.6383936696315896
Energy: 0.6347553326653075
Energy: 0.6383936696315896
Energy: 0.6294898999329431
Energy: 0.6832163888833
Energy: 0.6881090235906683
Energy: 0.6832163888827267
Energy: 0.6295423808800957
Energy: 0.7322113960703575
Energy: 0.6218026220533911
Energy: 0.7322113960703575
Energy: 0.6275320115288715
Energy: 0.6428071152481016
Energy: 0.6285105921249347
Energy: 0.6428071152481016
Energy: 0.6334149605471407
Energy: 0.7234881318984722
Energy: 0.7905748283068482
Energy: 0.7234881318978987
Energy: 0.6929937378944719
Energy: 0.7598532506768558
Energy: 0.6351088018307922
Energy: 0.7598532506762824
Energy: 0.6306430875477403
Energy: 0.6794608939235806
Energy: 0.7296425959571697
Energy: 0.6794608939235806
Energy: 0.7246472578504244
Energy: 0.7238737018923626
Energy: 0.6247007951172617
Energy: 0.7238737018923626
Energy: 0.6350884326631304
Energy: 0.68856298583379
Energy: 0.6522077114268505
Energy: 0.6885629858343634
Energy: 0.6355657942821894
Energy: 0.7322216210590654
Energy: 0.7134886706653748
Energy: 0.7322216210596388
Energy: 0.6505846383006312
Energy: 0.6885393154581454
Energy: 0.6314632922589736
Energy: 0.6885393154575981
Energy: 0.6344494767229999
Energy: 0.6385617074687627
Energy: 0.7196687519888132
Energy: 0.6385617074687627
Energy: 0.6995848671749377
Energy: 0.6797310057792263
Energy: 0.6160443495135765
Energy: 0.6797310057792263
Energy: 0.6360099524685784
Energy: 0.6496729078075383
Energy: 0.6959774370139066
Energy: 0.6496729078075383
Energy: 0.6861828038443342
Energy: 0.7257735627722749
Energy: 0.6890737780104095
Energy: 0.7257735627728482
Energy: 0.652979187024684
Energy: 0.6824381835579668
Energy: 0.6299044192402898
Energy: 0.6824381835585402
Energy: 0.6219787384826233
Energy: 0.679044797531946
Energy: 0.6317580265801904
Energy: 0.679044797531946
Energy: 0.7816469435811274
Energy: 0.683908277945004
Energy: 0.6300335606793078
Energy: 0.6839082779444304
Energy: 0.6347955405472985
Energy: 0.7601813037381072
Energy: 0.7810457319039626
Energy: 0.7601813037375338
Energy: 0.6802579851084657
Energy: 0.614594619753989
Energy: 0.629458309984369
Energy: 0.6145946197545624
Energy: 0.6461392856712682
Energy: 0.6532770519373009
Energy: 0.7083079085043789
Energy: 0.6532770519367274
Energy: 0.6296017971743594
Energy: 0.7221312581654561
Energy: 0.7225881473739945
Energy: 0.7221312581648828
Energy: 0.6771816590476952
Energy: 0.6143143386299743
Energy: 0.6285460995941958
Energy: 0.6143143386294009
Energy: 0.634166673872074
Energy: 0.7903755529247781
Energy: 0.7815268234792595
Energy: 0.7903755529253514
Energy: 0.7780281080574354
Energy: 0.7275343526444886
Energy: 0.629093626429793
Energy: 0.7275343526444886
Energy: 0.6250106164168638
Energy: 0.6430590278853323
Energy: 0.6297064299291437
Energy: 0.6430590278853323
Energy: 0.6272300864213056
Energy: 0.6818008691606251
Energy: 0.6281272671731832
Energy: 0.6818008691606251
Energy: 0.6855401385125459
Energy: 0.7232283196980064
Energy: 0.7139545424790147
Energy: 0.7232283196968596
Energy: 0.6448726634372932
Energy: 0.6922092771595229
Energy: 0.8222004312725069
Energy: 0.6922092771595229

minimum gb energy = 0.6140709273311687 eV
minimum distance =  2.55555600695832 Angstroms
sigma value = 73


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

Energy: 0.6637675768541577
Energy: 0.6260206821851381
Energy: 0.8384206916736212
Energy: 0.6260206821860478
Energy: 0.6355110792839902
Energy: 0.6564706141034599
Energy: 0.6291936473297656
Energy: 0.6564706141025501
Energy: 0.6342337660118297
Energy: 0.6294161090250888
Energy: 0.619811926073829
Energy: 0.6294161090250888
Energy: 0.6397466371464775
Energy: 0.628189606551499
Energy: 0.6444441432563438
Energy: 0.628189606551499
Energy: 0.6551921594236213
Energy: 0.6589326659860969
Energy: 0.6200256918428395
Energy: 0.6589326659860969
Energy: 0.6374199360908582
Energy: 0.6211788255142632
Energy: 0.7850908184970634
Energy: 0.6211788255142632
Energy: 0.7318147072427548
Energy: 0.7054561084022286
Energy: 0.6393510334182536
Energy: 0.7054561084022286
Energy: 0.6327414180465133
Energy: 0.614709845267346
Energy: 0.6948004056095051
Energy: 0.6147098452664362
Energy: 0.8407452878305787
Energy: 0.6164577130954928
Energy: 0.6169441524444549
Energy: 0.6164577130954928
Energy: 0.6278284112833558
Energy: 0.6599609744585772
Energy: 0.6168385766120572
Energy: 0.6599609744594871
Energy: 0.6290238879583516
Energy: 0.6166490308000242
Energy: 0.7687035186101725
Energy: 0.616649030800934
Energy: 0.6606944948870308
Energy: 0.6274101877786774
Energy: 0.6399075424413391
Energy: 0.6274101877786774
Energy: 0.6317820486924555
Energy: 0.6496127872319947
Energy: 0.7293211812173821
Energy: 0.6496127872319947
Energy: 0.781990937533693
Energy: 0.6862921971424311
Energy: 0.6400990415915563
Energy: 0.6862921971424311
Energy: 0.6339674125207707
Energy: 0.6652531184292484
Energy: 0.7352704031596873
Energy: 0.6652531184292484
Energy: 0.771817248404767
Energy: 0.6159601332510121
Energy: 0.6339698218341288
Energy: 0.6159601332510121
Energy: 0.6674960269114014
Energy: 0.6802113481328381
Energy: 0.6342910702595154
Energy: 0.6802113481328381
Energy: 0.6664474683464854
Energy: 0.6793361033143072
Energy: 0.6408197317484681
Energy: 0.6793361033133976
Energy: 0.7131923858932364
Energy: 0.6145798901501667
Energy: 0.6325668685470369
Energy: 0.6145798901501667
Energy: 0.6361987395964499
Energy: 0.6886040764937224
Energy: 0.8009487037849873
Energy: 0.6886040764937224
Energy: 0.7706289784494339
Energy: 0.6209667031070575
Energy: 0.6382594637259731
Energy: 0.6209667031070575
Energy: 0.6443304956144182
Energy: 0.6557061766332294
Energy: 0.7121080714633392
Energy: 0.6557061766332294

minimum gb energy = 0.6145798901501667 eV
minimum distance =  2.55365745568505 Angstroms
sigma value = 7


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

Energy: 0.6312783851768535
Energy: 0.6311018242595182
Energy: 0.8221281961312356
Energy: 0.6311018242575884
Energy: 0.7491049268090306
Energy: 0.6546152835842443
Energy: 0.6187588907390116
Energy: 0.6546152835848875
Energy: 0.624641698749585
Energy: 0.6315806747743223
Energy: 0.6420489162132493
Energy: 0.631580674773679
Energy: 0.6567986494006108
Energy: 0.6602973427026914
Energy: 0.6282549133311344
Energy: 0.6602973427020481
Energy: 0.6247766601661541
Energy: 0.6494736450620784
Energy: 0.6315684443824848
Energy: 0.6494736450640083
Energy: 0.6251800858835356
Energy: 0.6322354135955567
Energy: 0.7875705774469195
Energy: 0.6322354135961998
Energy: 0.7320139277312042
Energy: 0.6923796788106956
Energy: 0.650541800472517
Energy: 0.6923796788106956
Energy: 0.6250542563926088
Energy: 0.6314925831461875
Energy: 0.8277395972309051
Energy: 0.6314925831468308
Energy: 0.7060699632356238
Energy: 0.6558026411848625
Energy: 0.6269488788021554
Energy: 0.6558026411842194
Energy: 0.6246059758794681
Energy: 0.6658619899045393
Energy: 0.7028468810045333
Energy: 0.6658619899032526
Energy: 0.6561460803118357
Energy: 0.7082742521200005
Energy: 0.6509273912184275
Energy: 0.7082742521193572
Energy: 0.6311752326092019
Energy: 0.6494616634308239
Energy: 0.6561961255265606
Energy: 0.6494616634301806
Energy: 0.6336866108452465
Energy: 0.6324111567440494
Energy: 0.6545542605037267
Energy: 0.6324111567427629
Energy: 0.6317452686037581
Energy: 0.6283206401352502
Energy: 0.6443462628351361
Energy: 0.6283206401352502
Energy: 0.6163317406402554
Energy: 0.6599532268072256
Energy: 0.7546414396955928
Energy: 0.6599532268078688
Energy: 0.8262501838313017
Energy: 0.6279973395199883
Energy: 0.631733310480715
Energy: 0.6279973395199883
Energy: 0.6256318649739578
Energy: 0.648226411667699
Energy: 0.6985309064324217
Energy: 0.6482264116664124
Energy: 0.6258571838811375
Energy: 0.625580296930278
Energy: 0.6440289287420096
Energy: 0.625580296930278
Energy: 0.6257857729766697
Energy: 0.7079847808606486
Energy: 0.6511413987857756
Energy: 0.7079847808600054
Energy: 0.6173239819795908
Energy: 0.6528521495891919
Energy: 0.6305564540096212
Energy: 0.6528521495898352
Energy: 0.6403635771829069
Energy: 0.7088375820516906
Energy: 0.6269820917124754
Energy: 0.7088375820536202
Energy: 0.6245690076987412
Energy: 0.6319541360639258
Energy: 0.6439485742625329
Energy: 0.6319541360639258
Energy: 0.7869948095621353
Energy: 0.6563658419652794
Energy: 0.6438303833908535
Energy: 0.6563658419652794
Energy: 0.6314857367763362
Energy: 0.6311922034553517
Energy: 0.8159965987818888
Energy: 0.6311922034527785
Energy: 0.6317180020571986
Energy: 0.65247472150294
Energy: 0.6504266104882975
Energy: 0.6524747215010102
Energy: 0.6377469108571348
Energy: 0.6607667374631113
Energy: 0.6493813569937387
Energy: 0.6607667374611815
Energy: 0.6248027604309488
Energy: 0.6626766524007969
Energy: 0.690691412931604
Energy: 0.6626766524001536
Energy: 0.672450315157687
Energy: 0.6485777502946327
Energy: 0.6282934074143358
Energy: 0.6485777502933463
Energy: 0.6287111894034625
Energy: 0.631199296688323
Energy: 0.7426470402461571
Energy: 0.6311992966870366
Energy: 0.68234373632534
Energy: 0.644843500781279
Energy: 0.6177145887445845
Energy: 0.6448435007806359
Energy: 0.6287151015329886
Energy: 0.6313229976619062
Energy: 0.757776994264042
Energy: 0.6313229976631927

minimum gb energy = 0.6163317406402554 eV
minimum distance =  2.53991492874174 Angstroms
sigma value = 29


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

Energy: 0.5941606448571808
Energy: 0.5811447996938315
Energy: 0.8610205733050728
Energy: 0.5811447996942797
Energy: 0.6589463798139302
Energy: 0.571940888930941
Energy: 0.5732677885906742
Energy: 0.571940888930941
Energy: 0.6045232068705519
Energy: 0.6092045902375437
Energy: 0.6583986242896116
Energy: 0.6092045902373197
Energy: 0.5938130669061726
Energy: 0.594337322175335
Energy: 0.6694632782335415
Energy: 0.594337322175335
Energy: 0.5943019184585199
Energy: 0.5924012745851988
Energy: 0.6141450163329127
Energy: 0.5924012745847755
Energy: 0.5811703143781235
Energy: 0.6092181345679394
Energy: 0.5811844238021872
Energy: 0.6092181345681635
Energy: 0.5811462372973797
Energy: 0.5925404702082642
Energy: 0.5943028941087102
Energy: 0.5925404702082642
Energy: 0.6695236441536504
Energy: 0.5945340630852115
Energy: 0.5937846094561577
Energy: 0.5945340630856346
Energy: 0.6582625116624398
Energy: 0.6091930442993007
Energy: 0.6585965486840369
Energy: 0.6091930442988774

minimum gb energy = 0.571940888930941 eV
minimum distance =  2.59977551204707 Angstroms
sigma value = 5


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

Energy: 0.5941065640500471
Energy: 0.5917500539417975
Energy: 0.7119106308063793
Energy: 0.5917500539417975
Energy: 0.6018812567256568
Energy: 0.5867081446357162
Energy: 0.5913649166603824
Energy: 0.5867081446357162
Energy: 0.5821390111107155
Energy: 0.5877744782937304
Energy: 0.6960302124449869
Energy: 0.5877744782937304
Energy: 0.5950877221714774
Energy: 0.6144062916385135
Energy: 0.5848467252987494
Energy: 0.6144062916385135
Energy: 0.5861179910962165
Energy: 0.6173721830357076
Energy: 0.6402929994362037
Energy: 0.6173721830357076
Energy: 0.6178205248076574
Energy: 0.5922898223433436
Energy: 0.5811125430677054
Energy: 0.5922898223421282
Energy: 0.5829890559539946
Energy: 0.615801972115548
Energy: 0.5937700051051586
Energy: 0.6158019721149405
Energy: 0.5805414346577172
Energy: 0.5927791339341633
Energy: 0.5832961030282938
Energy: 0.5927791339341633
Energy: 0.5865541259810457
Energy: 0.6160795112073791
Energy: 0.5862758910765653
Energy: 0.6160795112073791
Energy: 0.5830662453624623
Energy: 0.6161612794321798
Energy: 0.6030336902256711
Energy: 0.6161612794327874
Energy: 0.5988742201189314
Energy: 0.6149842809776376
Energy: 0.5881688169422601
Energy: 0.6149842809788529
Energy: 0.5880145622739883
Energy: 0.6182209552931253
Energy: 0.5930360412333987
Energy: 0.6182209552937329
Energy: 0.6187067302454959
Energy: 0.591913194959011
Energy: 0.5938994961563859
Energy: 0.591913194959011
Energy: 0.5920660058884468
Energy: 0.592934830294365
Energy: 0.603828385600272
Energy: 0.5929348302937574
Energy: 0.705965895103841
Energy: 0.5814055606026157
Energy: 0.5880141999318246
Energy: 0.5814055606032233
Energy: 0.5833536210926811
Energy: 0.5881244427676161
Energy: 0.702624739794705
Energy: 0.5881244427670085
Energy: 0.6749300675726115
Energy: 0.588516968096152
Energy: 0.591338598945052
Energy: 0.5885169680955443
Energy: 0.5861832573738011
Energy: 0.5918728996332958
Energy: 0.755097032210323
Energy: 0.5918728996332958
Energy: 0.5924723941340556
Energy: 0.6173813138611399
Energy: 0.5835094148165478
Energy: 0.6173813138611399
Energy: 0.5831744572757898
Energy: 0.6452944047534712
Energy: 0.5845852484597449
Energy: 0.6452944047534712
Energy: 0.5931897696241479
Energy: 0.6129539282747464
Energy: 0.5869994352922931
Energy: 0.6129539282747464
Energy: 0.594193555812337
Energy: 0.615941150654574
Energy: 0.5815235562918063
Energy: 0.615941150654574
Energy: 0.5911406746760326
Energy: 0.5930152077550492
Energy: 0.5968359788510096
Energy: 0.5930152077538339
Energy: 0.5918313515693685
Energy: 0.6175844375266293
Energy: 0.5910527421701338
Energy: 0.6175844375266293
Energy: 0.5970889417239232
Energy: 0.592492175232668
Energy: 0.5891840654501834
Energy: 0.5924921752320603
Energy: 0.591754315392485
Energy: 0.5929162089112326
Energy: 0.5861842036466073
Energy: 0.5929162089118402
Energy: 0.5911776211827777
Energy: 0.5786310497011489
Energy: 0.6138596653365427
Energy: 0.5786310497017566
Energy: 0.7096247601179299
Energy: 0.6155663572918575
Energy: 0.5833450211854977
Energy: 0.6155663572918575
Energy: 0.5922555516469643
Energy: 0.5862499908512221
Energy: 0.6240837044965771
Energy: 0.5862499908500067
Energy: 0.7623201142869028
Energy: 0.5918833381942039
Energy: 0.5861118841089501
Energy: 0.5918833381935962
Energy: 0.5828218039285797
Energy: 0.5845956354611294
Energy: 0.7408830851885717
Energy: 0.5845956354611294
Energy: 0.6736494371249037
Energy: 0.6196620741338841
Energy: 0.5820677583141695
Energy: 0.6196620741344917
Energy: 0.584980294654863
Energy: 0.6144136558774154
Energy: 0.5919398029138461
Energy: 0.6144136558774154

minimum gb energy = 0.5786310497011489 eV
minimum distance =  2.52750894230873 Angstroms
sigma value = 1


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

Energy: 0.5659093140051211
Energy: 0.5659645997254824
Energy: 0.7201403419257412
Energy: 0.5659645997254824
Energy: 0.5907599027389853
Energy: 0.5536541352775355
Energy: 0.5660239004624962
Energy: 0.5536541352783757
Energy: 0.5537156550727755
Energy: 0.5664182129110107
Energy: 0.645917467694397
Energy: 0.5664182129110107
Energy: 0.6767042386701155
Energy: 0.5974723883984168
Energy: 0.5580220243850197
Energy: 0.5974723883975767
Energy: 0.5537328120877113
Energy: 0.5690003496791864
Energy: 0.6270202936706952
Energy: 0.5690003496791864
Energy: 0.554161857900475
Energy: 0.5966069600124164
Energy: 0.5581983178607262
Energy: 0.5966069600124164
Energy: 0.5538738951649498
Energy: 0.6083124406173541
Energy: 0.5572347182551608
Energy: 0.6083124406173541
Energy: 0.5540289384540381
Energy: 0.566460181514746
Energy: 0.5879659954005563
Energy: 0.5664601815155862
Energy: 0.5659241080123544
Energy: 0.5691028063440804
Energy: 0.5637033000027922
Energy: 0.5691028063440804
Energy: 0.5660163846945611
Energy: 0.5691977045074308
Energy: 0.5880284821567091
Energy: 0.5691977045082709
Energy: 0.5541106145694871
Energy: 0.5665914653503046
Energy: 0.5634914677378113
Energy: 0.5665914653511447
Energy: 0.5540035712099186
Energy: 0.6083728633515699
Energy: 0.5628137670675842
Energy: 0.6083728633515699
Energy: 0.5542068208582421
Energy: 0.5974830483395334
Energy: 0.5580262994346605
Energy: 0.5974830483395334
Energy: 0.5537036578380294
Energy: 0.5689835930542559
Energy: 0.6437420490591291
Energy: 0.5689835930525756
Energy: 0.6765439286294848
Energy: 0.5974342697849733
Energy: 0.5580262261202926
Energy: 0.5974342697849733
Energy: 0.5537066506115479
Energy: 0.5663864738562636
Energy: 0.5811332361262364
Energy: 0.5663864738554235
Energy: 0.5906510441235893
Energy: 0.5536450136119375
Energy: 0.5660250924836896
Energy: 0.5536450136127777
Energy: 0.5659093140051211
Energy: 0.5659645997254824
Energy: 0.810950186275707
Energy: 0.5659645997254824
Energy: 0.5907599027398256
Energy: 0.5536541352775355
Energy: 0.5660239004624962
Energy: 0.5536541352775355
Energy: 0.5537156550727755
Energy: 0.5664182129118509
Energy: 0.7569514609727724
Energy: 0.5664182129118509
Energy: 0.6767042386701155
Energy: 0.5974723883984168
Energy: 0.5580220243850197
Energy: 0.5974723883975767
Energy: 0.5537328120877113
Energy: 0.5690003496791864
Energy: 0.6270202936715354
Energy: 0.5690003496791864
Energy: 0.5541618579013152
Energy: 0.5966069600115761
Energy: 0.5581983178607262
Energy: 0.5966069600124164
Energy: 0.5538738951649498
Energy: 0.6083124406173541
Energy: 0.5572347182736447
Energy: 0.6083124406173541

minimum gb energy = 0.5536450136119375 eV
minimum distance =  2.5444728518909 Angstroms
sigma value = 17


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

Energy: 0.5629213203347154
Energy: 0.5630422407847516
Energy: 0.8235983909783562
Energy: 0.5630422407842323
Energy: 0.5920713653445924
Energy: 0.5608806861180632
Energy: 0.5561691223474973
Energy: 0.5608806861185823
Energy: 0.5543631625374686
Energy: 0.5568496600170338
Energy: 0.5997304001503121
Energy: 0.5568496600159952
Energy: 0.5880508356043616
Energy: 0.5502111793603249
Energy: 0.5532095753958127
Energy: 0.5502111793608442
Energy: 0.5505796942416689
Energy: 0.5915495851533173
Energy: 0.6402755585847991
Energy: 0.5915495851533173
Energy: 0.5671395745089503
Energy: 0.652020171068286
Energy: 0.5597097859965259
Energy: 0.652020171068286
Energy: 0.567433746757878
Energy: 0.5825969922745571
Energy: 0.5593227579788411
Energy: 0.5825969922745571
Energy: 0.549425725369609
Energy: 0.6538026175741166
Energy: 0.5536677352645755
Energy: 0.6538026175741166
Energy: 0.5643237170478841
Energy: 0.657708151950727
Energy: 0.5618592276394989
Energy: 0.6577081519517656
Energy: 0.5664822009130813
Energy: 0.5822372949530593
Energy: 0.5547244805120318
Energy: 0.5822372949535788
Energy: 0.557367690197901
Energy: 0.6479981256150734
Energy: 0.5566432610288885
Energy: 0.6479981256150734
Energy: 0.5528359956917254
Energy: 0.5814419077226907
Energy: 0.5476193229358057
Energy: 0.5814419077221714
Energy: 0.5506279483587802
Energy: 0.6531500275587246
Energy: 0.5558534029729136
Energy: 0.6531500275587246
Energy: 0.5616943155836752
Energy: 0.5903918583277064
Energy: 0.5630500506171844
Energy: 0.5903918583282256
Energy: 0.5528030448190334
Energy: 0.6480493032570711
Energy: 0.5684850924179241
Energy: 0.6480493032570711
Energy: 0.5575471052613221
Energy: 0.5573111153163363
Energy: 0.6407491023233275
Energy: 0.5573111153163363
Energy: 0.5757824482595548
Energy: 0.6474138941974145
Energy: 0.5560236325009336
Energy: 0.6474138941974145
Energy: 0.5502550207350764
Energy: 0.5632367529211604
Energy: 0.7612187261579824
Energy: 0.5632367529221989
Energy: 0.6054328281236537
Energy: 0.5836802405136491
Energy: 0.5563468735598156
Energy: 0.5836802405141683
Energy: 0.5568195953177373
Energy: 0.556667318182544
Energy: 0.7107141031448849
Energy: 0.5566673181835827
Energy: 0.5693047619581794
Energy: 0.5562507863119448
Energy: 0.5656529330009447
Energy: 0.5562507863114254
Energy: 0.5662537757505842
Energy: 0.5643513404991387
Energy: 0.5699604748730742
Energy: 0.5643513404996581
Energy: 0.5760908491406873
Energy: 0.5561512545056301
Energy: 0.5580873520483174
Energy: 0.5561512545061494
Energy: 0.5567594052804653
Energy: 0.5834017371123036
Energy: 0.6440002473140874
Energy: 0.5834017371123036
Energy: 0.6844279228710006
Energy: 0.5633599528125189
Energy: 0.5515200931918018
Energy: 0.5633599528130383
Energy: 0.557472011521455
Energy: 0.5911483410247073
Energy: 0.554378223573404
Energy: 0.591148341024188
Energy: 0.6202602791818148
Energy: 0.5793799414554711
Energy: 0.5587316262742302
Energy: 0.5793799414565096
Energy: 0.5713144868237704
Energy: 0.6485782307422423
Energy: 0.5557153200755084
Energy: 0.6485782307417229
Energy: 0.5630352084501908
Energy: 0.5897316580083994
Energy: 0.5638361727739337
Energy: 0.5897316580083994
Energy: 0.5574425468020754
Energy: 0.6538167458956422
Energy: 0.5655329788106817
Energy: 0.6538167458956422
Energy: 0.5548738747481488
Energy: 0.5891546637679423
Energy: 0.5573008589094164
Energy: 0.5891546637679423
Energy: 0.5597752875545972
Energy: 0.6466116235893984
Energy: 0.5552968185881388
Energy: 0.646611623588879
Energy: 0.5589295648198822
Energy: 0.5824248519990063
Energy: 0.6274727609785242
Energy: 0.5824248519990063
Energy: 0.5769491337778433
Energy: 0.656866654008512
Energy: 0.5620880911179534
Energy: 0.656866654008512
Energy: 0.5531358378992399
Energy: 0.5636121582662162
Energy: 0.5783551245498857
Energy: 0.5636121582667356
Energy: 0.5603110917928658
Energy: 0.5835003497366561
Energy: 0.5681839777788773
Energy: 0.5835003497361368
Energy: 0.5580323566065396
Energy: 0.6517471014689955
Energy: 0.5689365152880604
Energy: 0.6517471014684761
Energy: 0.5770809485158614
Energy: 0.592390207492159
Energy: 0.5577180088292556
Energy: 0.592390207492159

minimum gb energy = 0.5476193229358057 eV
minimum distance =  2.54126170622648 Angstroms
sigma value = 89


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

Energy: 0.4926232842386232
Energy: 0.4926716930395737
Energy: 0.7148435476926526
Energy: 0.4926716930395737
Energy: 0.4929555677013251
Energy: 0.5088641354154941
Energy: 0.5033427580730295
Energy: 0.5088641354154941
Energy: 0.5014158846824018
Energy: 0.5728453592550933
Energy: 0.6302433548783173
Energy: 0.5728453592550933
Energy: 0.631877160502671
Energy: 0.5088626007772165
Energy: 0.5033799667301353
Energy: 0.5088626007772165
Energy: 0.5013940099455922
Energy: 0.4942508966009237
Energy: 0.6333180207866166
Energy: 0.4942508966009237
Energy: 0.5015109592787648
Energy: 0.49285842896226617
Energy: 0.49497900937020456
Energy: 0.49285842896226617
Energy: 0.5015797819597239
Energy: 0.5732776833251472
Energy: 0.49284523824937454
Energy: 0.5732776833251472
Energy: 0.5058145823882302
Energy: 0.6666750943562443
Energy: 0.5032105090449668
Energy: 0.6666750943562443
Energy: 0.501433545564978
Energy: 0.5322750017205133
Energy: 0.6300617962960632
Energy: 0.5322750017205133
Energy: 0.5088711974517709
Energy: 0.6206219318084734
Energy: 0.5013862653183055
Energy: 0.6206219318084734
Energy: 0.4925904442824833
Energy: 0.5089553818557004
Energy: 0.5013548026004293
Energy: 0.5089553818543416
Energy: 0.49264537416878884
Energy: 0.5712792879396447
Energy: 0.5032740663923531
Energy: 0.5712792879396447
Energy: 0.5015044804698578
Energy: 0.5304251989655921
Energy: 0.5043979309291364
Energy: 0.5304251989655921
Energy: 0.5014264287029058
Energy: 0.5300901244527852
Energy: 0.5014491296998329
Energy: 0.5300901244527852
Energy: 0.49549378949123846
Energy: 0.5304382061422437
Energy: 0.5013949875402207
Energy: 0.5304382061408851

minimum gb energy = 0.4925904442824833 eV
minimum distance =  2.55287685656717 Angstroms
sigma value = 13


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

Energy: 0.5018048105265345
Energy: 0.49233299847427947
Energy: 0.6491533154510415
Energy: 0.4923329984714319
Energy: 0.526785865302647
Energy: 0.5031875914133351
Energy: 0.49133528611468946
Energy: 0.5031875914139047
Energy: 0.4927437453431204
Energy: 0.492602041615574
Energy: 0.5696436337714025
Energy: 0.49260204161785204
Energy: 0.4909019144746388
Energy: 0.5033087978769999
Energy: 0.48836138199234214
Energy: 0.5033087978769999
Energy: 0.4964126724587803
Energy: 0.5184733495462739
Energy: 0.5216208569935606
Energy: 0.5184733495445655
Energy: 0.48596846844596053
Energy: 0.5055256123061479
Energy: 0.49173562191694126
Energy: 0.5055256123067174
Energy: 0.49620737432481005
Energy: 0.6212898970542334
Energy: 0.5994188872983591
Energy: 0.621289897054803
Energy: 0.48541469008691857
Energy: 0.5036582787103756
Energy: 0.491740823515214
Energy: 0.5036582787103756
Energy: 0.4962768334111996
Energy: 0.5210351186713557
Energy: 0.5449918511998221
Energy: 0.5210351186702166
Energy: 0.5756643445011215
Energy: 0.5274978891128027
Energy: 0.4883165757493449
Energy: 0.5274978891128027
Energy: 0.4964510455540826
Energy: 0.5282403441414836
Energy: 0.4925752505431517
Energy: 0.528240344143192
Energy: 0.5956920318761117
Energy: 0.527827373898806
Energy: 0.49272149893444456
Energy: 0.5278273739004885
Energy: 0.508182753701802
Energy: 0.49659944147320356
Energy: 0.5012801344231606
Energy: 0.4965994414726342
Energy: 0.6084879850583182
Energy: 0.5277259139163076
Energy: 0.4928820432180896
Energy: 0.5277259139157381
Energy: 0.4963479248966675
Energy: 0.49187717057270147
Energy: 0.4894699027605014
Energy: 0.49187717057270147
Energy: 0.48437979202040277
Energy: 0.5276574757162668
Energy: 0.4867912111648874
Energy: 0.5276574757162668
Energy: 0.4923988596207661
Energy: 0.5143982404460189
Energy: 0.4870963441692275
Energy: 0.5143982404460189
Energy: 0.49112077789838826
Energy: 0.5199195910664107
Energy: 0.4899927542514558
Energy: 0.5199195910647021
Energy: 0.492283991613406
Energy: 0.5221594013123498
Energy: 0.48993771926669205
Energy: 0.5221594013123498
Energy: 0.49228758333099354
Energy: 0.5223675869265414
Energy: 0.49012999185801753
Energy: 0.5223675869265414
Energy: 0.49102053215272273
Energy: 0.5198908680259525
Energy: 0.4900623481192646
Energy: 0.5198908680259525
Energy: 0.49215475102557094
Energy: 0.5144244354048216
Energy: 0.4871139742284733
Energy: 0.5144244354036825
Energy: 0.48435846513205505
Energy: 0.5277218077277983
Energy: 0.48705153070529084
Energy: 0.5277218077277983
Energy: 0.49634845029092123
Energy: 0.4918335394043841
Energy: 0.487838777622716
Energy: 0.49183353940324515
Energy: 0.608867697915466
Energy: 0.5278768365848344
Energy: 0.49289728906518115
Energy: 0.5278768365831259
Energy: 0.5086046206555783
Energy: 0.49651333299124545
Energy: 0.48621698897672355
Energy: 0.496513332989537
Energy: 0.5958662065759653
Energy: 0.5278562160765314
Energy: 0.49267815905611173
Energy: 0.5278562160759619
Energy: 0.49627018409064216
Energy: 0.528061763214323
Energy: 0.4924334934495227
Energy: 0.528061763213184
Energy: 0.5754671505273351
Energy: 0.5276300378862128
Energy: 0.4883098429425297
Energy: 0.5276300378856432
Energy: 0.4965249744348307
Energy: 0.5210570631964572
Energy: 0.584700616618612
Energy: 0.5210570631975963
Energy: 0.48544366229285946
Energy: 0.503455333858318
Energy: 0.4916168932707006
Energy: 0.5034553338566095
Energy: 0.49911586404970365
Energy: 0.6219261091648011
Energy: 0.6358126080421539
Energy: 0.6219261091659399
Energy: 0.48603806547311473
Energy: 0.5056483356201676
Energy: 0.4917710967731991
Energy: 0.5056483356213067
Energy: 0.4963424402818953
Energy: 0.5186718339795245
Energy: 0.523847339517864
Energy: 0.518671833981233
Energy: 0.49094917781034353
Energy: 0.5032069562115048
Energy: 0.4883707412319345
Energy: 0.5032069562132133

minimum gb energy = 0.48435846513205505 eV
minimum distance =  2.56768965683089 Angstroms
sigma value = 37


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

Energy: 0.532488762548785
Energy: 0.5427273237963762
Energy: 0.4550357630152605
Energy: 0.5427273237953963
Energy: 0.5248056890911958
Energy: 0.5863015139557811
Energy: 0.45144697225089264
Energy: 0.5863015139557811
Energy: 0.4606392290515133
Energy: 0.6004985409821094
Energy: 0.6023306292410898
Energy: 0.6004985409811296
Energy: 0.48969964605911315
Energy: 0.46244032827717024
Energy: 0.4532841964480912
Energy: 0.46244032827815007
Energy: 0.45271909779460645
Energy: 0.586521284474931
Energy: 0.4758636874531712
Energy: 0.586521284474931
Energy: 0.4553427430194851
Energy: 0.5882263415810706
Energy: 0.5102016027042751
Energy: 0.5882263415810706
Energy: 0.4597908852150477
Energy: 0.7157600440690147
Energy: 0.5836901152254358
Energy: 0.7157600440690147
Energy: 0.4411579139763362
Energy: 0.4619115633706905
Energy: 0.46351922509903604
Energy: 0.4619115633706905
Energy: 0.45185374936098877
Energy: 0.5867758640012941
Energy: 0.5424949613875735
Energy: 0.5867758640012941
Energy: 0.6026564815954586
Energy: 0.5870983534808362
Energy: 0.510176404960153
Energy: 0.5870983534808362
Energy: 0.4523805723770693
Energy: 0.6866954260246748
Energy: 0.49553070265100035
Energy: 0.6866954260256545
Energy: 0.6074436269469737
Energy: 0.46167661744967703
Energy: 0.45338044975750313
Energy: 0.46167661744967703
Energy: 0.5082977901561669
Energy: 0.5867230789954826
Energy: 0.4494710704842996
Energy: 0.5867230789954826
Energy: 0.5983468392237803
Energy: 0.7133922095816188
Energy: 0.44568774721680854
Energy: 0.7133922095806389
Energy: 0.5326507368023434
Energy: 0.484336627996218
Energy: 0.4459024063624582
Energy: 0.484336627996218
Energy: 0.5271765181733099
Energy: 0.5873359727992492
Energy: 0.4513493662838499
Energy: 0.5873359727992492
Energy: 0.5083126517847363
Energy: 0.5878272318254796
Energy: 0.4518051501678443
Energy: 0.5878272318254796
Energy: 0.4955879276164711
Energy: 0.6876933520258681
Energy: 0.45243684963222175
Energy: 0.6876933520258681
Energy: 0.45248678501670236
Energy: 0.46169025099033967
Energy: 0.4505408254659268
Energy: 0.46169025099033967
Energy: 0.45027754981472695
Energy: 0.5873807720457639
Energy: 0.5037765722782912
Energy: 0.5873807720467438

minimum gb energy = 0.4411579139763362 eV
minimum distance =  2.54528899074668 Angstroms
sigma value = 25


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

Energy: 0.4311875805833171
Energy: 0.41367591232550527
Energy: 0.41901200778486963
Energy: 0.41367591232627043
Energy: 0.49114050714552177
Energy: 0.6167808996214622
Energy: 0.4125802604909234
Energy: 0.6167808996214622
Energy: 0.40781650881403503
Energy: 0.4079117924047334
Energy: 0.7367844136836333
Energy: 0.4079117924047334
Energy: 0.416439974184589
Energy: 0.6183782086900871
Energy: 0.41156665169205153
Energy: 0.6183782086900871
Energy: 0.41169068559599625
Energy: 0.6166270414319738
Energy: 0.4196634379032306
Energy: 0.6166270414319738
Energy: 0.3986485527565402
Energy: 0.6185717992856192
Energy: 0.4126974698065084
Energy: 0.6185717992863844
Energy: 0.4122536896439847
Energy: 0.40947433111018483
Energy: 0.4178248511593714
Energy: 0.40947433110941983
Energy: 0.40002126236680025
Energy: 0.5331062055659803
Energy: 0.4088155460270618
Energy: 0.5331062055667455
Energy: 0.41156504053514825
Energy: 0.6168722727180047
Energy: 0.5281034895123359
Energy: 0.6168722727187699
Energy: 0.3993631964287724
Energy: 0.4105482315615735
Energy: 0.4320920925943235
Energy: 0.4105482315615735
Energy: 0.4122305101339919
Energy: 0.409261504229212
Energy: 0.5523493904861194
Energy: 0.409261504229212
Energy: 0.5113756236478264
Energy: 0.6515547570485493
Energy: 0.4088203193943036
Energy: 0.6515547570485493
Energy: 0.4115172943483513
Energy: 0.6173651650050194
Energy: 0.4755666039511534
Energy: 0.6173651650050194
Energy: 0.5208362627967991
Energy: 0.629512256557983
Energy: 0.41260963725120653
Energy: 0.629512256557218
Energy: 0.41209420937077396
Energy: 0.4092311854780234
Energy: 0.4024796730293204
Energy: 0.4092311854780234
Energy: 0.505309015073441
Energy: 0.6376684638995754
Energy: 0.411405177020462
Energy: 0.6376684638995754
Energy: 0.4116585144339482
Energy: 0.5331810235188414
Energy: 0.40005106653906036
Energy: 0.5331810235188414
Energy: 0.48964887324449263
Energy: 0.6163799681848318
Energy: 0.4124045182660975
Energy: 0.6163799681840667
Energy: 0.4349600878952628
Energy: 0.40812183969210175
Energy: 0.3989675178509801
Energy: 0.40812183969133664
Energy: 0.5521930127808232
Energy: 0.6351312841866579
Energy: 0.41129533793070594
Energy: 0.6351312841866579
Energy: 0.41175356766252946
Energy: 0.6502287798898372
Energy: 0.4002172403170184
Energy: 0.6502287798898372
Energy: 0.4081027954029079
Energy: 0.616674095125881
Energy: 0.41092054872115424
Energy: 0.6166740951266462
Energy: 0.41233323994442134
Energy: 0.628304797800841
Energy: 0.5209727675745093
Energy: 0.628304797800841
Energy: 0.3995179444002791
Energy: 0.6344064775723199
Energy: 0.41126747406359204
Energy: 0.6344064775723199
Energy: 0.4114359972578503
Energy: 0.650435224121134
Energy: 0.4962447779150335
Energy: 0.650435224121134
Energy: 0.39906048623023305
Energy: 0.5328859324477139
Energy: 0.40792803632094704
Energy: 0.5328859324477139

minimum gb energy = 0.3986485527565402 eV
minimum distance =  2.48337151548262 Angstroms
sigma value = 41


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

Energy: 0.5322806458858287
Energy: 0.5508705530629824
Energy: 0.7015597963305052
Energy: 0.5508705530629824
Energy: 0.5044628863056195
Energy: 0.3796940553043105
Energy: 0.37226043676588444
Energy: 0.3796940553043105
Energy: 0.38218662006462734
Energy: 0.3737104246563578
Energy: 0.4707027715588471
Energy: 0.3737104246563578
Energy: 0.4438853451596104
Energy: 0.37736949956120275
Energy: 0.37220438926128235
Energy: 0.3773694995605755
Energy: 0.3693452182104978
Energy: 0.5579598261697712
Energy: 0.3863888312410041
Energy: 0.5579598261697712
Energy: 0.3831241939288422
Energy: 0.3764643325286538
Energy: 0.37230002697503
Energy: 0.37646433252614475
Energy: 0.37158389699917793
Energy: 0.38053900605239055
Energy: 0.3836773572299717
Energy: 0.38053900605929036
Energy: 0.3655304788179275
Energy: 0.4680669677461171
Energy: 0.36993771685427074
Energy: 0.46806696774548984
Energy: 0.37386953279331636
Energy: 0.5762998706459703
Energy: 0.47438107756538994
Energy: 0.5762998706459703
Energy: 0.3694396716005231
Energy: 0.3720515094869271
Energy: 0.38268820119857677
Energy: 0.3720515094894361
Energy: 0.37162227380901774
Energy: 0.3785665729445086
Energy: 0.5046963724904966
Energy: 0.3785665729445086
Energy: 0.36482413579161393
Energy: 0.5494711222334497
Energy: 0.532830700920898
Energy: 0.5494711222334497
Energy: 0.3739128182656007
Energy: 0.5777191686844427
Energy: 0.5529199296553801
Energy: 0.5777191686844427
Energy: 0.45869576263503636
Energy: 0.498056562297868
Energy: 0.38263944707898295
Energy: 0.4980565622984952
Energy: 0.37159642773574836
Energy: 0.3792482929723917
Energy: 0.4896399477526483
Energy: 0.3792482929736462
Energy: 0.46676113480743586
Energy: 0.5782525388895268
Energy: 0.3698532127868096
Energy: 0.5782525388895268
Energy: 0.37394817683128384
Energy: 0.5773116573605005
Energy: 0.45972184677417094
Energy: 0.5773116573611278
Energy: 0.4637001444751015
Energy: 0.49597851888451716
Energy: 0.3721905353743127
Energy: 0.49597851888451716
Energy: 0.3716690095522563
Energy: 0.46802038419559805
Energy: 0.36527234268325093
Energy: 0.4680203841949707
Energy: 0.4496075428812179
Energy: 0.5782331814028994
Energy: 0.3740767355368129
Energy: 0.5782331814028994
Energy: 0.3844190425906904
Energy: 0.5774733803120023
Energy: 0.3666356327273929
Energy: 0.5774733803120023
Energy: 0.5880873951489061
Energy: 0.6068819619212535
Energy: 0.3721919617527638
Energy: 0.6068819619218808
Energy: 0.5340020028748891
Energy: 0.5497628237445217
Energy: 0.3653123609723922
Energy: 0.5497628237438944
Energy: 0.5021949192327427
Energy: 0.5780115673393734
Energy: 0.3740189017278364
Energy: 0.5780115673393734
Energy: 0.3844553131465293
Energy: 0.5761634453161776
Energy: 0.3669201583597288
Energy: 0.5761634453168047
Energy: 0.48841373933853227
Energy: 0.6056350853607845
Energy: 0.3721730429879016
Energy: 0.6056350853607845
Energy: 0.37169937152330623
Energy: 0.5756372819200763
Energy: 0.4677597649293117
Energy: 0.5756372819207036
Energy: 0.37394589056167415
Energy: 0.5766642082093066
Energy: 0.3739319038820065
Energy: 0.5766642082093066
Energy: 0.37396132359603773
Energy: 0.5996428861238786
Energy: 0.4641894156111384
Energy: 0.5996428861245059
Energy: 0.3696713817392258
Energy: 0.5948332804639004
Energy: 0.37426333218813074
Energy: 0.5948332804639004
Energy: 0.3718530047406464
Energy: 0.5757989878646941
Energy: 0.4516769409167473
Energy: 0.5757989878653214
Energy: 0.36964520899262227
Energy: 0.5765440163020683
Energy: 0.3870656720783401
Energy: 0.5765440163020683

minimum gb energy = 0.36482413579161393 eV
minimum distance =  2.47864034838727 Angstroms
sigma value = 15


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

Energy: 0.48506685265639304
Energy: 0.5429616665492386
Energy: 0.5864906165194292
Energy: 0.5429616665481759
Energy: 0.5418217068979517
Energy: 0.5208683107987402
Energy: 0.3499865164030807
Energy: 0.5208683107982088
Energy: 0.36054406110624987
Energy: 0.5003488214968047
Energy: 0.60299128637977
Energy: 0.5003488214973361
Energy: 0.4579125020090159
Energy: 0.5333949573187804
Energy: 0.3499364872345647
Energy: 0.5333949573187804
Energy: 0.3480936606289787
Energy: 0.5493030783606824
Energy: 0.5148077145896934
Energy: 0.549303078360151
Energy: 0.4072736580624539
Energy: 0.5192770572092944
Energy: 0.34985660869838375
Energy: 0.5192770572092944
Energy: 0.34949597851313624
Energy: 0.5008274027908436
Energy: 0.3564134919478977
Energy: 0.5008274027908436
Energy: 0.35648707171081034
Energy: 0.4996432815381717
Energy: 0.3498708516522033
Energy: 0.49964328153923443
Energy: 0.3510196743445281
Energy: 0.5473563579936658
Energy: 0.4076285345726013
Energy: 0.5473563579936658
Energy: 0.3397172028582918
Energy: 0.5230243204028545
Energy: 0.3484323058783149
Energy: 0.5230243204023232
Energy: 0.34960759022050264
Energy: 0.5196338906461182
Energy: 0.45976761254961795
Energy: 0.5196338906461182
Energy: 0.340817309882799
Energy: 0.3506775027150816
Energy: 0.36075002347341295
Energy: 0.3506775027150816
Energy: 0.35124212197952914
Energy: 0.5470643460898555
Energy: 0.539229834317774
Energy: 0.5470643460909183
Energy: 0.34069998636461685
Energy: 0.5540078096377842
Energy: 0.48555701736138424
Energy: 0.5540078096377842
Energy: 0.34949621937230546
Energy: 0.522103315918688
Energy: 0.5413471862562089
Energy: 0.5221033159192193
Energy: 0.41621164292705404
Energy: 0.5005312478430645
Energy: 0.3607536356035942
Energy: 0.5005312478430645
Energy: 0.35100839363805514
Energy: 0.5469719861892582
Energy: 0.46034373101487697
Energy: 0.5469719861892582
Energy: 0.42635098407331784
Energy: 0.5600438627692008
Energy: 0.34841005280708065
Energy: 0.5600438627697322
Energy: 0.34948539288324476
Energy: 0.5222999825885485
Energy: 0.4097219929977046
Energy: 0.5222999825885485
Energy: 0.4209234004513764
Energy: 0.5219915743107416
Energy: 0.34982090933423976
Energy: 0.5219915743107416
Energy: 0.3509528652603824
Energy: 0.5336374736078392
Energy: 0.35730762124221904
Energy: 0.5336374736073078
Energy: 0.4234466625110691
Energy: 0.5589268808275285
Energy: 0.35273593190703906
Energy: 0.5589268808275285
Energy: 0.34946365860658946
Energy: 0.5218705173548864
Energy: 0.338678258917607
Energy: 0.5218705173548864
Energy: 0.5204105275259102
Energy: 0.5221269962139636
Energy: 0.34985971648101166
Energy: 0.522126996214495
Energy: 0.3618860423871564
Energy: 0.5332856198749975
Energy: 0.3443021836778492
Energy: 0.5332856198755289
Energy: 0.5393331230738024
Energy: 0.5585549380089958
Energy: 0.35276457833454533
Energy: 0.558554938009527
Energy: 0.48623903018682657
Energy: 0.5403054438970253
Energy: 0.338819929010402
Energy: 0.5403054438970253
Energy: 0.6157906179465847
Energy: 0.5225790844643949
Energy: 0.3498323726846486
Energy: 0.5225790844638634
Energy: 0.3619998451145882
Energy: 0.5589354084877916
Energy: 0.3443812761885316
Energy: 0.5589354084877916
Energy: 0.4461617717362445
Energy: 0.5481070109049185
Energy: 0.35277653465915876
Energy: 0.5481070109043872
Energy: 0.3494978887944891
Energy: 0.5471275759759492
Energy: 0.42883634504484236
Energy: 0.5471275759759492
Energy: 0.4504479126760176
Energy: 0.52192360425719
Energy: 0.3500089897262549
Energy: 0.52192360425719
Energy: 0.3510007343546752
Energy: 0.5596893807696574
Energy: 0.42860216777035404
Energy: 0.5596893807685946
Energy: 0.3415230312257632
Energy: 0.5331910973889383
Energy: 0.3528504247406015
Energy: 0.533191097388407
Energy: 0.34328657859527356
Energy: 0.5472290998264446
Energy: 0.4291634005039022
Energy: 0.5472290998269761
Energy: 0.34969153634798883
Energy: 0.5217990653293064
Energy: 0.35129422357233164
Energy: 0.5217990653287751
Energy: 0.350919684526803
Energy: 0.5598179699127261
Energy: 0.5164890212570988
Energy: 0.5598179699121948

minimum gb energy = 0.338678258917607 eV
minimum distance =  2.56073792595186 Angstroms
sigma value = 85


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

Energy: 0.4563624416188249
Energy: 0.5043080136795596
Energy: 0.6539158468288584
Energy: 0.5043080136790986
Energy: 0.5648615752222865
Energy: 0.47923196930798506
Energy: 0.31938780583833526
Energy: 0.47923196930798506
Energy: 0.43781096333191455
Energy: 0.45559827694213434
Energy: 0.397509622712412
Energy: 0.45559827694259525
Energy: 0.49524385741673754
Energy: 0.479182900087934
Energy: 0.31941453091737537
Energy: 0.479182900087934
Energy: 0.33305950741257395
Energy: 0.44233275014379947
Energy: 0.47428683497307056
Energy: 0.44233275014379947
Energy: 0.4247744154550324
Energy: 0.4806510063033574
Energy: 0.3193243197227087
Energy: 0.4806510063033574
Energy: 0.3174464311304954
Energy: 0.4647279427280479
Energy: 0.33735545626621366
Energy: 0.46472794272850887
Energy: 0.38086202826692156
Energy: 0.4787861709293333
Energy: 0.3194620635892672
Energy: 0.4787861709293333
Energy: 0.3190187101838996
Energy: 0.44879162851704435
Energy: 0.3810030440946262
Energy: 0.4487916285165835
Energy: 0.3372375993115183
Energy: 0.46453869627311034
Energy: 0.31784762866951016
Energy: 0.46453869627311034
Energy: 0.32034365713086277
Energy: 0.4799086071791968
Energy: 0.4248009333709048
Energy: 0.4799086071791968
Energy: 0.3058315995199636
Energy: 0.47913909099438423
Energy: 0.3333587327765907
Energy: 0.4791390909939233
Energy: 0.31900650076168413
Energy: 0.448415632272416
Energy: 0.5268217456478568
Energy: 0.44841563227195513
Energy: 0.3062556648779794
Energy: 0.4555420953773225
Energy: 0.4380238073127407
Energy: 0.4555420953777833
Energy: 0.320380202453032
Energy: 0.47919474652246163
Energy: 0.5653949638292147
Energy: 0.47919474652292254
Energy: 0.3045380402792355
Energy: 0.504429282742728
Energy: 0.45668064700545125
Energy: 0.504429282742728
Energy: 0.31907586131761906
Energy: 0.4483152077354548
Energy: 0.5652601675716089
Energy: 0.4483152077354548
Energy: 0.3709615792169087
Energy: 0.4555353578062203
Energy: 0.4381820669807811
Energy: 0.45553535780668114
Energy: 0.3203624855688601
Energy: 0.4791679997988554
Energy: 0.49613435517174453
Energy: 0.4791679997983945
Energy: 0.3784993590592309
Energy: 0.5137737460372199
Energy: 0.33346036193073325
Energy: 0.5137737460372199
Energy: 0.31899045342218924
Energy: 0.4486266271292031
Energy: 0.4592805690491068
Energy: 0.44862662712966406
Energy: 0.3771348236970175
Energy: 0.4796612157061698
Energy: 0.3178490284156083
Energy: 0.4796612157061698
Energy: 0.3203060217234261
Energy: 0.4786262251531603
Energy: 0.381511038945942
Energy: 0.47862622515269937
Energy: 0.37957041863863267
Energy: 0.5117833208362275
Energy: 0.31948492668575196
Energy: 0.5117833208362275
Energy: 0.31890460711068047
Energy: 0.39585646861167323
Energy: 0.33775212209517425
Energy: 0.39585646861167323
Energy: 0.450994594341543
Energy: 0.4790639279660082
Energy: 0.319768185653218
Energy: 0.4790639279660082
Energy: 0.3345310337123732
Energy: 0.47898909574135745
Energy: 0.3063952350799365
Energy: 0.47898909574135745
Energy: 0.4572641502617892
Energy: 0.5119566024147957
Energy: 0.3194005216248402
Energy: 0.5119566024147957
Energy: 0.43900692082250475
Energy: 0.4555842635391314
Energy: 0.30650057178176615
Energy: 0.4555842635391314
Energy: 0.6109591058598747
Energy: 0.47908464019866226
Energy: 0.31954461290880176
Energy: 0.47908464019912306
Energy: 0.4576434452485022
Energy: 0.5012340082472541
Energy: 0.30519130265277217
Energy: 0.5012340082472541
Energy: 0.5512825464149409
Energy: 0.5126977661732155
Energy: 0.31940992313078753
Energy: 0.5126977661732155
Energy: 0.43911929048659487
Energy: 0.4555753666658397
Energy: 0.30573811583606325
Energy: 0.4555753666653788
Energy: 0.5437459396751798
Energy: 0.47902778253865497
Energy: 0.3199334179788651
Energy: 0.47902778253865497
Energy: 0.33449981994286865
Energy: 0.5099626737958134
Energy: 0.37870074564400036
Energy: 0.5099626737962744
Energy: 0.39913596407210306
Energy: 0.5103180923320491
Energy: 0.3193239162647009
Energy: 0.51031809233251
Energy: 0.31906432047954064
Energy: 0.4793475027699048
Energy: 0.37735377287911176
Energy: 0.4793475027703656
Energy: 0.3935659467987337
Energy: 0.47854658027880104
Energy: 0.31988703045808486
Energy: 0.47854658027880104
Energy: 0.32044793294419205
Energy: 0.5100501342627961
Energy: 0.3793796202366209
Energy: 0.510050134263257
Energy: 0.30798521947278307
Energy: 0.49807807291875855
Energy: 0.3206340605612115
Energy: 0.49807807291875855
Energy: 0.31889410837462673
Energy: 0.47916955268475164
Energy: 0.46464158589138005
Energy: 0.47916955268429073
Energy: 0.30465515798001314
Energy: 0.4787212640910231
Energy: 0.33340540576623007
Energy: 0.4787212640910231
Energy: 0.32038353384109547
Energy: 0.5099445378207046
Energy: 0.4570919393784066
Energy: 0.5099445378207046

minimum gb energy = 0.3045380402792355 eV
minimum distance =  2.56116711534733 Angstroms
sigma value = 113


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

Energy: 0.01173383087122894
Energy: 0.01313555481238085
Energy: 0.39294679100560953
Energy: 0.013135554811672275
Energy: 0.3926147497263929
Energy: 0.17518777865491564
Energy: 0.17553258518155793
Energy: 0.17518777865491564
Energy: 0.011733830871583228
Energy: 0.013135554812026563
Energy: 0.39294681031974027
Energy: 0.013135554812026563
Energy: 0.3926147497263929
Energy: 0.17518777865491564
Energy: 0.1755264346962488
Energy: 0.17518777865491564
Energy: 0.011733830871583228
Energy: 0.013135554812026563
Energy: 0.3929469290545392
Energy: 0.013135554812026563
Energy: 0.39261474972605825
Energy: 0.17518777865491564
Energy: 0.1755158988758282
Energy: 0.17518777865491564

minimum gb energy = 0.01173383087122894 eV
minimum distance =  2.83530856680944 Angstroms
sigma value = 1