Model name: model_name=MEAM_LAMMPS_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0499990060925475
cohesive_energy=3.360264284479465
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.73023861235562e-19, 2.37559536053082e-19, 2.85817096269162e-19, 3.2434303561032597e-19, 3.5623916803999796e-19, 3.8321661820328993e-19, 4.06348844444982e-19, 4.2635682625037395e-19, 4.43764475378784e-19, 4.58956314222372e-19, 4.72230347635062e-19, 4.838252999353199e-19, 4.93930227965958e-19, 5.02700542860474e-19, 5.1026922527949e-19, 5.16746825410752e-19, 5.22224667322398e-19, 5.267860641993959e-19, 5.30501511813642e-19, 5.33433495053862e-19, 5.356364879256119e-19, 5.37158555727912e-19, 5.38044559406514e-19, 5.38331349024e-19, 5.38022128933638e-19, 5.37019166360754e-19, 5.35187878468092e-19, 5.3237125194552e-19, 5.28372219067056e-19, 5.2295846422077e-19, 5.15838391259274e-19, 5.066611234997219e-19, 4.949876645443979e-19, 4.8026846780784e-19, 4.618161995140619e-19, 4.38757673397534e-19, 4.099777745209919e-19, 3.7403454391383596e-19, 3.29040617501214e-19, 2.72503008440622e-19, 2.01077974096902e-19, 1.1020748216398739e-19, -6.420130055400419e-21, -1.577169861096528e-19, -3.56562807720066e-19, -6.221476174550759e-19, -9.8412097566816e-19, -1.489769523535194e-18, -2.2170920261291998e-18, -3.29929825533084e-18, -4.97140989940494e-18, -7.658308179921959e-18, -1.2124199307767219e-17, -1.9600227852039e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.010325872581959277
Energy: 0.010906881401635043
Energy: 0.010915664613597121
Energy: 0.011870163225157812
Energy: 0.28765199909973443
Energy: 0.011363997420632344
Energy: 0.010906881401385184
Energy: 0.050169486486459414
Energy: 0.05043100014596898
Energy: 0.05039423529000938
Energy: 0.05006487426050104
Energy: 0.05012364370715555
Energy: 0.010915664613597121
Energy: 0.05043100014571912
Energy: 0.05080712637747069
Energy: 0.011372360075411538
Energy: 0.05027258819002037
Energy: 0.05155447577462718
Energy: 0.011870163225407671
Energy: 0.050394235290259236
Energy: 0.01137236007491182
Energy: 0.010535553705471778
Energy: 0.05036005571821448
Energy: 0.010770482843172634
Energy: 0.28765199909973443
Energy: 0.05006487426050104
Energy: 0.05027258819002037
Energy: 0.05036005571821448
Energy: 0.049982758639794074
Energy: 0.050310338703865226
Energy: 0.01136399742085444
Energy: 0.05012364370740541
Energy: 0.05155447577487703
Energy: 0.010770482842922776
Energy: 0.050310338703615363
Energy: 0.01150291626467327

minimum gb energy = 0.010325872581959277 eV
minimum distance =  2.85251010753934 Angstroms
sigma value = 1


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

Energy: 0.9062575763834996
Energy: 0.608256540526316
Energy: 0.5876661528127484
Energy: 0.599612111905386
Energy: 0.6335526526832815
Energy: 0.5876685469021067
Energy: 0.7986193355572743
Energy: 0.5631615583691307
Energy: 0.5632522475721646
Energy: 0.5907733089428757
Energy: 0.5634047330997066
Energy: 0.5631133824090074
Energy: 0.8155779942560474
Energy: 0.5632156127166201
Energy: 0.5631394521524443
Energy: 0.5852650676071417
Energy: 0.5631672559284784
Energy: 0.563083133588217
Energy: 0.8194508245605172
Energy: 0.5631468784227927
Energy: 0.5677947256130164
Energy: 0.5701319992790111
Energy: 0.5639997003604597
Energy: 0.570875249083092
Energy: 0.7686530911864922
Energy: 0.5773304435440103
Energy: 0.5792189499593814
Energy: 0.5909082844628342
Energy: 0.5648364788293555
Energy: 0.5749832721719933
Energy: 0.7580856269589571
Energy: 0.5909423168263958
Energy: 0.5950374338335932
Energy: 0.5903544688217153
Energy: 0.5872986415769554
Energy: 0.5962113824781528
Energy: 0.7598697877347207
Energy: 0.5982794576628868
Energy: 0.595328102124333
Energy: 0.5908457770468314
Energy: 0.6108739170197564
Energy: 0.5950030072802691
Energy: 0.7306661391028667
Energy: 0.594560595172578
Energy: 0.60008067755866
Energy: 0.5943296856756562
Energy: 0.5991581973765121
Energy: 0.5949840252644042
Energy: 0.6416825906029867
Energy: 0.5945889584356517
Energy: 0.5958211524455534
Energy: 0.5947880941863428
Energy: 0.6016001483474237
Energy: 0.5938895480292233
Energy: 0.6522549583286218
Energy: 0.5628109085715294
Energy: 0.5630390614133505
Energy: 0.5654035578985689
Energy: 0.5864155448430115
Energy: 0.5632125822819751
Energy: 0.6235250590551671
Energy: 0.5828537876326103
Energy: 0.5829837624074848
Energy: 0.5929929352001558
Energy: 0.5830835280095655
Energy: 0.5617762139385549
Energy: 0.5650614610670385
Energy: 0.5766141179089952
Energy: 0.5630101839079887
Energy: 0.5649914157416253
Energy: 0.5660389823478164
Energy: 0.5630556808245346
Energy: 0.563126342771335
Energy: 0.5669589466669233
Energy: 0.5632121179882199
Energy: 0.5631421525935648
Energy: 0.5760793076917345
Energy: 0.5633080854901096
Energy: 0.5917650027575757
Energy: 0.5765025169236084
Energy: 0.5754708736141677
Energy: 0.5634268871907777
Energy: 0.5698795023316958
Energy: 0.563455331884738
Energy: 0.5937989036616613
Energy: 0.5535023787413531
Energy: 0.5632450735961166
Energy: 0.5653639690150815
Energy: 0.5798189122720957
Energy: 0.5633045230822583
Energy: 0.5940063271510562
Energy: 0.5795711941646908
Energy: 0.5782411483390701
Energy: 0.5784832985871892
Energy: 0.5862819686327019
Energy: 0.5783360238425618
Energy: 0.7134269257319642
Energy: 0.5924593926590985
Energy: 0.5933191848611209
Energy: 0.5796569596870451
Energy: 0.5962844086451293
Energy: 0.5797078179568935
Energy: 0.7018409126742171
Energy: 0.6016082674162204
Energy: 0.5967103235637201
Energy: 0.5792426712208528
Energy: 0.6108675043482326
Energy: 0.5987121268997554
Energy: 0.7074289424372218
Energy: 0.5980164961440972
Energy: 0.5977903360701321
Energy: 0.5802550745378315
Energy: 0.5981592583454871
Energy: 0.5968940070951679
Energy: 0.723352937332839
Energy: 0.5754336506583997
Energy: 0.5885648221686629
Energy: 0.5932498452808922
Energy: 0.5697502827693861
Energy: 0.5950745723777925
Energy: 0.7819162471120947
Energy: 0.5776091483982889
Energy: 0.5832294893827047
Energy: 0.5830424434356287
Energy: 0.6262169632198266
Energy: 0.5711771878921302
Energy: 0.7823946726344125
Energy: 0.580278768720092
Energy: 0.5784102214474548
Energy: 0.5996542449716505
Energy: 0.579347032153715
Energy: 0.5780067175612074
Energy: 0.7985391270243793
Energy: 0.5632446214436323
Energy: 0.5633146177229462
Energy: 0.5831252973656565
Energy: 0.5635379441442758
Energy: 0.562978953349963

minimum gb energy = 0.5535023787413531 eV
minimum distance =  2.64871073836097 Angstroms
sigma value = 33


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

Energy: 1.0945236990784108
Energy: 0.612279208722425
Energy: 0.5984473917026201
Energy: 0.597678923463152
Energy: 0.6089414554367312
Energy: 0.6121925482794109
Energy: 0.7278125427316208
Energy: 0.5808064675393092
Energy: 0.5807502618713082
Energy: 0.5815086646853859
Energy: 0.5810780166556194
Energy: 0.6060374229970668
Energy: 0.8115693183162873
Energy: 0.6060522318706115
Energy: 0.5920914104010732
Energy: 0.6026139503416292
Energy: 0.5903280163507072
Energy: 0.6059331179844187
Energy: 0.7892850703600697
Energy: 0.6034390304666326
Energy: 0.6045792564677449
Energy: 0.5975348901787246
Energy: 0.6308631087784363
Energy: 0.5941923541192102
Energy: 0.7364046093072637
Energy: 0.6124477420325865
Energy: 0.6114383572427987
Energy: 0.6345571635136178
Energy: 0.6120822509522178
Energy: 0.6099761601237323
Energy: 0.7795899793835503
Energy: 0.6135001966968298
Energy: 0.6115207410870946
Energy: 0.6221210348785796
Energy: 0.6112507459174356
Energy: 0.6180686616143337
Energy: 0.7811289356289243
Energy: 0.6156055078118551
Energy: 0.6214031813285329
Energy: 0.6185601590767692
Energy: 0.613057299528954
Energy: 0.6202205617704715
Energy: 0.7364963910984215
Energy: 0.6058285868634189
Energy: 0.6070812797991001
Energy: 0.6373943879476227
Energy: 0.6051156342289573
Energy: 0.6074467773292409
Energy: 0.6679650804007212
Energy: 0.6119956862330416
Energy: 0.6154596199034913
Energy: 0.6144436014216967
Energy: 0.6128674904602618
Energy: 0.6138176593868568
Energy: 0.6731126466112626
Energy: 0.5920794231155996
Energy: 0.5918210575909992
Energy: 0.5932384184272289
Energy: 0.5915015645717924
Energy: 0.5914889792951524
Energy: 0.6687070376504222
Energy: 0.5815931918259427
Energy: 0.5794265102753253
Energy: 0.6270008905993082
Energy: 0.574799915904913
Energy: 0.5798545521153731
Energy: 0.5994626218644161
Energy: 0.5740987911489908
Energy: 0.5953960158603754
Energy: 0.593153360482919
Energy: 0.5743604752190544
Energy: 0.5929819884390962
Energy: 0.5992018858296388
Energy: 0.5970438272663893
Energy: 0.597698873463178
Energy: 0.5945835681738761
Energy: 0.6253291813600199
Energy: 0.5977623536402925
Energy: 0.675636176696636
Energy: 0.5942411515276916
Energy: 0.5942978040806907
Energy: 0.6566702283845599
Energy: 0.5945625904132024
Energy: 0.6012819693246927
Energy: 0.6579424821314191
Energy: 0.6144958329267368
Energy: 0.6149267933879923
Energy: 0.5980009304120959
Energy: 0.6276208851032398
Energy: 0.5969207591536528
Energy: 0.654222152529152
Energy: 0.6274066116326481
Energy: 0.621098243338197
Energy: 0.6077950563033464
Energy: 0.6252698859081492
Energy: 0.6185199495690378
Energy: 0.7537980358158951
Energy: 0.6195625054972611
Energy: 0.6160775321501282
Energy: 0.6237597710521898
Energy: 0.6195858620198332
Energy: 0.6164958942566867
Energy: 0.7229374896360412
Energy: 0.610151233540013
Energy: 0.6093926072200396
Energy: 0.6073363313579204
Energy: 0.6331667644236649
Energy: 0.6063130938572278
Energy: 0.7238816752072691
Energy: 0.6146481393676939
Energy: 0.6058542230193781
Energy: 0.6063007871136552
Energy: 0.6152411240441144
Energy: 0.6063390999762464
Energy: 0.755141362654231
Energy: 0.5904926690531307
Energy: 0.5928887262314898
Energy: 0.6030016174061748
Energy: 0.5915544197187109
Energy: 0.5932224040938964
Energy: 0.8122975770228646
Energy: 0.5962807446732897
Energy: 0.5623360507867782
Energy: 0.5624163955973922
Energy: 0.596800698118858
Energy: 0.5632086318653818
Energy: 0.8143393810510531
Energy: 0.5898883418588481
Energy: 0.5899879166918222
Energy: 0.5624655751684846
Energy: 0.5898153614611826
Energy: 0.5895785024465301
Energy: 0.7497133772008739
Energy: 0.601536141023616
Energy: 0.5902759868367413
Energy: 0.613012460984483
Energy: 0.5993340105759919
Energy: 0.5905757070466439
Energy: 0.7927066573953755
Energy: 0.676851975334417
Energy: 0.6723543655959664
Energy: 0.5947581461707705
Energy: 0.6700388305342605
Energy: 0.6081004000812007
Energy: 0.7535382752328654
Energy: 0.611158069024436
Energy: 0.6127578025551571
Energy: 0.6215178268730086
Energy: 0.6128214921209753
Energy: 0.6127962788248535
Energy: 0.779797472709792
Energy: 0.6157455143659206
Energy: 0.6148904861868999
Energy: 0.6189096544016932
Energy: 0.6118812669426201
Energy: 0.6149570302588233
Energy: 0.7813506838694699
Energy: 0.6166543871510488
Energy: 0.6234319973948853
Energy: 0.6108624018611416
Energy: 0.6221345561092575
Energy: 0.6233804637126258
Energy: 0.7343093273912995
Energy: 0.6133875262885695
Energy: 0.6095406468864334
Energy: 0.6378310268504931
Energy: 0.6060797967271007
Energy: 0.6279734824382686
Energy: 0.6643973618177528
Energy: 0.6097616410675588
Energy: 0.6078918287276992
Energy: 0.6140503678136888
Energy: 0.6064594983533176
Energy: 0.6166308784564273
Energy: 0.6604252016294433
Energy: 0.6105310829374815
Energy: 0.6113306587993764
Energy: 0.6092463798720027
Energy: 0.6139881582570683
Energy: 0.6109521529186055
Energy: 0.6410542271537644
Energy: 0.5742804436185425
Energy: 0.5740897101103926
Energy: 0.5988901189038675
Energy: 0.5746706537773086
Energy: 0.5798652539433574
Energy: 0.6139651038984105
Energy: 0.5745164804350829
Energy: 0.5740192390355064
Energy: 0.5954930141202424
Energy: 0.5744707589996422
Energy: 0.5915441557244602
Energy: 0.6109843457038444
Energy: 0.6016313996808268
Energy: 0.602168238128878
Energy: 0.6013954732482555
Energy: 0.6127518696102693
Energy: 0.6012275759866798
Energy: 0.6143065199450798
Energy: 0.594392150851662
Energy: 0.5951022113441559
Energy: 0.601405521991846
Energy: 0.5945743244360023
Energy: 0.5899827669867925
Energy: 0.6626298673976004
Energy: 0.6110248781414305
Energy: 0.6122733455154391
Energy: 0.6080396067806142
Energy: 0.6221632079516868
Energy: 0.6115533475205874
Energy: 0.6563573522459674
Energy: 0.6194452298518867
Energy: 0.613136796123176
Energy: 0.6209611936313498
Energy: 0.622143205068069
Energy: 0.6218931609951056
Energy: 0.6555540966420026
Energy: 0.6333419624140046
Energy: 0.6324571664153563
Energy: 0.6107273876399955
Energy: 0.6276164701135385
Energy: 0.6295867034442422
Energy: 0.7241125956950996
Energy: 0.6185901820571801
Energy: 0.6185159461437846
Energy: 0.5922154555573966
Energy: 0.6218115552964394
Energy: 0.6172027568005565
Energy: 0.7203792642347056
Energy: 0.6246666237761171
Energy: 0.6004172280948282
Energy: 0.6073949286803048
Energy: 0.6097430152364686
Energy: 0.6065105923147122
Energy: 0.758217269809654
Energy: 0.6108275880047785
Energy: 0.5978290754091166
Energy: 0.6049338314152739
Energy: 0.5969424732670245
Energy: 0.6215189894265254
Energy: 0.8299728408753989
Energy: 0.5808675810490221
Energy: 0.5759143919654042
Energy: 0.569643189455531
Energy: 0.5808229678795406
Energy: 0.5783615890188035

minimum gb energy = 0.5623360507867782 eV
minimum distance =  2.52788387821186 Angstroms
sigma value = 51


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

Energy: 0.937966398958253
Energy: 0.6372369991551654
Energy: 0.6374023700576551
Energy: 0.7591346011892373
Energy: 0.6181443615853909
Energy: 0.7631095985842745
Energy: 0.7220924563853068
Energy: 0.5859771355366831
Energy: 0.5846347171172558
Energy: 0.5429541106246351
Energy: 0.5860814983820366
Energy: 0.5859706396831833
Energy: 0.7645716511368764
Energy: 0.5857096068588143
Energy: 0.5846263848527994
Energy: 0.5501186714723585
Energy: 0.5856265185425703
Energy: 0.5851648291411087
Energy: 0.7637343118642196
Energy: 0.5861113996136965
Energy: 0.5652939654610636
Energy: 0.6043605666147589
Energy: 0.6402694552361179
Energy: 0.5571919866143554
Energy: 0.6796676185802284
Energy: 0.5853934371752607
Energy: 0.585316795299497
Energy: 0.5432675042581455
Energy: 0.5881800284958605
Energy: 0.5853129133278492
Energy: 0.6822838402183339
Energy: 0.5818123903666453
Energy: 0.5805661757652916
Energy: 0.6002987127120387
Energy: 0.5810159714965802
Energy: 0.5907822905430261
Energy: 0.6900595896418152
Energy: 0.5914967824639364
Energy: 0.5865822143204301
Energy: 0.6004029001335374
Energy: 0.5739570022892257
Energy: 0.6000892905469909
Energy: 0.6677798017862296
Energy: 0.5737434164267133
Energy: 0.5528228360368553
Energy: 0.6266719287759959
Energy: 0.5523142438048504
Energy: 0.5524682776800776
Energy: 0.5859076953622302
Energy: 0.5994008766124864
Energy: 0.5989152330121325
Energy: 0.5858777973543737
Energy: 0.5851000431326905
Energy: 0.585201695032862
Energy: 0.5867658365607775
Energy: 0.5851884295410101
Energy: 0.5848707545006506
Energy: 0.5867661666523107
Energy: 0.5475658667029585
Energy: 0.5864990681343412
Energy: 0.5859442154776524
Energy: 0.586739193400435
Energy: 0.5866176486479003
Energy: 0.5857880495150644
Energy: 0.58652836234758
Energy: 0.5860528592879435
Energy: 0.6278441423360644
Energy: 0.5853282182592243
Energy: 0.5859317118907031
Energy: 0.5864377534483141
Energy: 0.5903581555739179
Energy: 0.5857079750086753
Energy: 0.6144676281269945
Energy: 0.6182396888632813
Energy: 0.6178997747635957
Energy: 0.6008355673083244
Energy: 0.6033977952120139
Energy: 0.5913435465178771
Energy: 0.6147543061331393
Energy: 0.6053799348861275
Energy: 0.6263019674738572
Energy: 0.5865126531399933
Energy: 0.6049689954906338
Energy: 0.5918946817139
Energy: 0.7256419338113549
Energy: 0.6191326133616744
Energy: 0.6187641405494564
Energy: 0.6236645434693303
Energy: 0.5921290513781748
Energy: 0.6189014241225352
Energy: 0.7217189662933201
Energy: 0.5789528996726063
Energy: 0.5789210212898405
Energy: 0.5833922029695487
Energy: 0.5793772807808721
Energy: 0.5837777211613585
Energy: 0.7221127636610702
Energy: 0.5910120589974666
Energy: 0.5905368667721651
Energy: 0.6027686845746717
Energy: 0.6013442510164021
Energy: 0.5915168055134298
Energy: 0.8041124358103424
Energy: 0.5862147002975453
Energy: 0.5771586678750023
Energy: 0.5976608360572975
Energy: 0.5858222255633645
Energy: 0.5735393485068134

minimum gb energy = 0.5429541106246351 eV
minimum distance =  2.65432822190489 Angstroms
sigma value = 19


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

Energy: 0.7843809910469776
Energy: 0.5524192459877029
Energy: 0.5524306245317632
Energy: 0.6638682427337874
Energy: 0.5409080744291305
Energy: 0.6654846652867316
Energy: 0.784870096136035
Energy: 0.540485573342619
Energy: 0.5407633031863004
Energy: 0.5548717633532075
Energy: 0.5406317126649978
Energy: 0.5410287595324976
Energy: 0.6290721603988119
Energy: 0.5408050020590802
Energy: 0.5410834881305333
Energy: 0.5551384346518834
Energy: 0.540672897287932
Energy: 0.5410310189985027
Energy: 0.6591532033908979
Energy: 0.5408316419610933
Energy: 0.5412392441019898
Energy: 0.6028306420305989
Energy: 0.5885749275899657
Energy: 0.5408416644480831
Energy: 0.666037831426022
Energy: 0.5405717357897458
Energy: 0.5410943387625827
Energy: 0.5334969864672714
Energy: 0.5410179428972653
Energy: 0.5407874411410681
Energy: 0.6303163828559545
Energy: 0.5296960197272932
Energy: 0.5414380905401681
Energy: 0.5379099228728399
Energy: 0.5296968438650311
Energy: 0.5547100908097887
Energy: 0.6291209012101767
Energy: 0.5557201526804805
Energy: 0.5551181389366993
Energy: 0.5412081372660592
Energy: 0.5335808403029766
Energy: 0.5411834868905252
Energy: 0.6052113453529355
Energy: 0.4910615664111448
Energy: 0.5299513112844778
Energy: 0.6057014295302381
Energy: 0.49102905086961723
Energy: 0.5302161096458651
Energy: 0.5408388751554389
Energy: 0.5492150649100925
Energy: 0.5496225940504355
Energy: 0.540842048049431
Energy: 0.5297457467585296
Energy: 0.5501663040923658
Energy: 0.5418527786082281
Energy: 0.5559774047841408
Energy: 0.5406442487006334
Energy: 0.5408297884523802
Energy: 0.5328236742885452
Energy: 0.5406385698990483
Energy: 0.5402157839433599
Energy: 0.6028854112368169
Energy: 0.6036934185176602
Energy: 0.5401829995088989
Energy: 0.6040033333062853
Energy: 0.5416334556895214
Energy: 0.6663318233156881
Energy: 0.5545353705073969
Energy: 0.555717177953474
Energy: 0.541492013087782
Energy: 0.5553259101950471
Energy: 0.5410007524353848
Energy: 0.5294140814471212
Energy: 0.5403477772812153
Energy: 0.5550927448234745
Energy: 0.5310422733367898
Energy: 0.5413923249793411
Energy: 0.5549002647189302
Energy: 0.6284909959429119
Energy: 0.6058037188820612
Energy: 0.5548415047751554
Energy: 0.5415886912594317
Energy: 0.6061119812266852
Energy: 0.5551450667203156
Energy: 0.7876742539808408
Energy: 0.5405646139647929
Energy: 0.5558092461127662
Energy: 0.5294743875551725
Energy: 0.5410262025056184
Energy: 0.5498715826920803
Energy: 0.7930500199183639
Energy: 0.5404455499845453
Energy: 0.5303128006708853
Energy: 0.5294815792051688
Energy: 0.5413092860279036
Energy: 0.5302560157995342
Energy: 0.6300966634637225
Energy: 0.5403925741135498
Energy: 0.5409111030317363
Energy: 0.5332573304204556
Energy: 0.5415638568692482
Energy: 0.5413753046434308
Energy: 0.6626124683002267
Energy: 0.5412012133895281
Energy: 0.5410172316802587
Energy: 0.5365504961748115
Energy: 0.5407938955167211
Energy: 0.5411136002286132
Energy: 0.6641312732342814
Energy: 0.5413655124408565
Energy: 0.5553824085904457
Energy: 0.5362743165694495
Energy: 0.5406994561051848
Energy: 0.5545597774739649
Energy: 0.6292458227600187
Energy: 0.5295700450942274
Energy: 0.5411572730741167
Energy: 0.5416169015628689
Energy: 0.5295197467818044
Energy: 0.554764663334579
Energy: 0.659356027840678
Energy: 0.5410979463095258
Energy: 0.5411858232704362
Energy: 0.6046444589859938
Energy: 0.5410642225472047
Energy: 0.5547501004116848
Energy: 0.6661069024907859
Energy: 0.5555937205276825
Energy: 0.5553471130825989
Energy: 0.5411478134889911
Energy: 0.554954964881181
Energy: 0.5408527861019411
Energy: 0.5894608149927212
Energy: 0.663893963980472
Energy: 0.6638956428220395
Energy: 0.6078015155968132
Energy: 0.6638428450394903
Energy: 0.5299389686283487
Energy: 0.5409117062583788
Energy: 0.5550664272359834
Energy: 0.5411729039154247
Energy: 0.540713081162717
Energy: 0.5295692769563047
Energy: 0.5407792837237788
Energy: 0.5403482917326557
Energy: 0.5548000902310738
Energy: 0.5551178388248896
Energy: 0.5404087929411969
Energy: 0.5553001208428925
Energy: 0.540413287897793
Energy: 0.58817332593496
Energy: 0.6042238970397519
Energy: 0.5542323522836027
Energy: 0.5884246797889294
Energy: 0.6053499221785843
Energy: 0.5413988813928903
Energy: 0.6289581600467047
Energy: 0.5559610339892836
Energy: 0.5411414506067486
Energy: 0.5408528820007554
Energy: 0.5331878938510207
Energy: 0.5409195747211429
Energy: 0.5295073791093104
Energy: 0.5376841355894758
Energy: 0.5552127220902526
Energy: 0.5295869389506568
Energy: 0.5379890068153136
Energy: 0.5547570768098402
Energy: 0.587154333507288
Energy: 0.5407623179354865
Energy: 0.5555642856996298
Energy: 0.5405549621266389
Energy: 0.5416325926678972
Energy: 0.5549778498779205
Energy: 0.7603048823471515
Energy: 0.5407121115591791
Energy: 0.5300199444864583
Energy: 0.49106951911022234
Energy: 0.6057357380108079
Energy: 0.5124058888957207

minimum gb energy = 0.49102905086961723 eV
minimum distance =  2.70898614069984 Angstroms
sigma value = 27


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

Energy: 0.67081510304032
Energy: 0.6264088427861625
Energy: 0.626729941525716
Energy: 0.6139242744039877
Energy: 0.7165986206524241
Energy: 0.6276282644545362
Energy: 0.5313036590489502
Energy: 0.591026762639392
Energy: 0.5913079380521372
Energy: 0.5645912574275466
Energy: 0.5636462459442566
Energy: 0.5630645022261874
Energy: 0.6032477342373912
Energy: 0.5637948294768205
Energy: 0.5640225378081059
Energy: 0.5341277861358716
Energy: 0.5639603078712745
Energy: 0.5625896842100843
Energy: 0.5329571085507547
Energy: 0.5915451478982311
Energy: 0.5351606522695048
Energy: 0.5408379394423981
Energy: 0.6532902724873068
Energy: 0.5987567338975648
Energy: 0.6427915235903305
Energy: 0.5935807185846588
Energy: 0.5483247218463794
Energy: 0.5879204189821023
Energy: 0.5939969532045402
Energy: 0.5081915572259326
Energy: 0.5616318242478017
Energy: 0.5944985208557532
Energy: 0.5932358976378722
Energy: 0.5616147668399819
Energy: 0.47751991094161234
Energy: 0.5036104936399451
Energy: 0.5639232273345286
Energy: 0.5371791546315368
Energy: 0.5354442587074124
Energy: 0.564588307222891
Energy: 0.548965528167344
Energy: 0.5623916561177414
Energy: 0.5623476052571214
Energy: 0.5567897582509211
Energy: 0.5327907110838983
Energy: 0.5624143169474012
Energy: 0.5330395235743047
Energy: 0.5612943270711795
Energy: 0.6023902809074021
Energy: 0.6060949012988646
Energy: 0.5340179369615019
Energy: 0.5607323437689739
Energy: 0.6048342203402179
Energy: 0.5620864101778182
Energy: 0.5345465499587481
Energy: 0.5875632326665827
Energy: 0.5218355853655696
Energy: 0.5686801536593064
Energy: 0.5613117859073727
Energy: 0.5218636966499463
Energy: 0.6024048738201453
Energy: 0.5738167909702422
Energy: 0.5753405819492625
Energy: 0.5624494588821457
Energy: 0.5730153832747652
Energy: 0.5750495768194508
Energy: 0.5313037342840752
Energy: 0.5903350200157612
Energy: 0.5902925239044065
Energy: 0.5475601750523076
Energy: 0.561136124893176
Energy: 0.5610291349853676

minimum gb energy = 0.47751991094161234 eV
minimum distance =  2.63881964865455 Angstroms
sigma value = 9


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

Energy: 0.9931281350973314
Energy: 0.5875045165581395
Energy: 0.5539574417101334
Energy: 0.6003055717750635
Energy: 0.5148532011558224
Energy: 0.6007907473844086
Energy: 0.48377649845191
Energy: 0.514034814826475
Energy: 0.5162197798244322
Energy: 0.5348356042112405
Energy: 0.5137319908657388
Energy: 0.5140365037205417
Energy: 0.5225390435640327
Energy: 0.503009831149898
Energy: 0.5024136916347506
Energy: 0.4873279310341538
Energy: 0.5042887749414818
Energy: 0.5023636893799067
Energy: 0.5252388794262869
Energy: 0.5140435187779216
Energy: 0.5180845250094491
Energy: 0.4873440221514482
Energy: 0.5586984591126005
Energy: 0.5199350524460521
Energy: 0.5782827114185429
Energy: 0.6032770218479789
Energy: 0.549134330516184
Energy: 0.577177349010162
Energy: 0.5583126559629217
Energy: 0.5784594189217618
Energy: 0.531919672051404
Energy: 0.6068067755032933
Energy: 0.548928694010725
Energy: 0.5319097335398922
Energy: 0.6081742192605644
Energy: 0.5376748724115766
Energy: 0.5431413543474761
Energy: 0.5307268678345444
Energy: 0.5432681219255476
Energy: 0.5439849361625101
Energy: 0.5104682701276392
Energy: 0.5433786200236812
Energy: 0.5237871502526418
Energy: 0.565701100550789
Energy: 0.5265685536048939
Energy: 0.5238481377008913
Energy: 0.567313294092229
Energy: 0.5233635737308077
Energy: 0.551924188582672
Energy: 0.5673999638845989
Energy: 0.5503035049802298
Energy: 0.562458766113955
Energy: 0.5429294169613212
Energy: 0.5256022486938989
Energy: 0.4869703182683518
Energy: 0.5345292921540785
Energy: 0.5249710062060216
Energy: 0.44456733317695546
Energy: 0.5535564577766591
Energy: 0.4968048958193961
Energy: 0.48326180016956205
Energy: 0.5226914691414758
Energy: 0.5226929542117603
Energy: 0.4753622057968057
Energy: 0.525090207883972
Energy: 0.5225031234725303
Energy: 0.6012952866151154
Energy: 0.5320968464743283
Energy: 0.5321240449098184
Energy: 0.5089265280656612
Energy: 0.5327790310437823
Energy: 0.5318968960071613
Energy: 0.8789634580688243
Energy: 0.5137156812375566
Energy: 0.6352932784990256
Energy: 0.5761158597892605
Energy: 0.5140589678127445
Energy: 0.5760822844263406
Energy: 0.6011528314767076
Energy: 0.5148029347270552
Energy: 0.5146494634736164
Energy: 0.5159777061636373
Energy: 0.5147074780814569
Energy: 0.5068744127839507
Energy: 0.5039376452039204
Energy: 0.5294355760208769
Energy: 0.5318244404931293
Energy: 0.5043681992716009
Energy: 0.5287691951657294
Energy: 0.5282091221949138
Energy: 0.5044446820047621
Energy: 0.5162780275785506
Energy: 0.5049693841994063
Energy: 0.5036527896815864
Energy: 0.5178856370504702
Energy: 0.502818163163408
Energy: 0.5132156564022383
Energy: 0.6020098895455066
Energy: 0.525087406886988
Energy: 0.513376604770361
Energy: 0.540773500564763
Energy: 0.5136957348262794
Energy: 0.5747615114151098
Energy: 0.5241907400483341
Energy: 0.5401901520682956
Energy: 0.5747760458643844
Energy: 0.5249900450424456
Energy: 0.5457018997034166
Energy: 0.5230708606025706
Energy: 0.4812568225222968
Energy: 0.4798735514080166
Energy: 0.5052138673665959
Energy: 0.5146806138942456
Energy: 0.5053784192922766
Energy: 0.5247925721717075
Energy: 0.5063422708266847
Energy: 0.5053291969057508
Energy: 0.505850060133714
Energy: 0.5063299486480187
Energy: 0.504624785958746
Energy: 0.5219807893881799
Energy: 0.5053005339000771
Energy: 0.505404697529438
Energy: 0.5049550329415231
Energy: 0.5054644806538224
Energy: 0.5104346119993168
Energy: 0.627991900100586
Energy: 0.5135698811962222
Energy: 0.5370268387307144
Energy: 0.5554964072369866
Energy: 0.5753401256336262
Energy: 0.5371946398871836
Energy: 0.6254371083539313
Energy: 0.513204507374176
Energy: 0.5139309296186176
Energy: 0.5130211695709654
Energy: 0.5133199078292296
Energy: 0.5382260445682898
Energy: 0.5220581788985121
Energy: 0.5024924630623855
Energy: 0.5023782475650781
Energy: 0.48895380618646417
Energy: 0.5059756244113517
Energy: 0.5026071889333343
Energy: 0.6623062368578403
Energy: 0.5034830169709119
Energy: 0.5028011779917312
Energy: 0.5863457298681364
Energy: 0.5030941183801781
Energy: 0.5857490064648927
Energy: 0.5753068468951945
Energy: 0.5042704269294482
Energy: 0.5137728266670706
Energy: 0.5207713118533703
Energy: 0.544527395586154
Energy: 0.5242296808718546
Energy: 0.5847630220290044
Energy: 0.6398097651593784
Energy: 0.6382565547294131
Energy: 0.5672468038334684
Energy: 0.6385973177663776
Energy: 0.5495307488374949
Energy: 0.5331502995065529
Energy: 0.5613474658308975
Energy: 0.5446269486550116
Energy: 0.5334417382007685
Energy: 0.5116638428480863
Energy: 0.5324745160335084
Energy: 0.5237085833387151
Energy: 0.5430748307715141
Energy: 0.5141640514822564
Energy: 0.5242151432547382
Energy: 0.5068214698485011
Energy: 0.5234859321281904
Energy: 0.5536139967469196
Energy: 0.5653093959361971
Energy: 0.5244829680804454
Energy: 0.5537632196811688
Energy: 0.5674614578498101
Energy: 0.5253794953363498
Energy: 0.4834199590714372
Energy: 0.5259700364778691
Energy: 0.5133649446086002
Energy: 0.4445117258993872
Energy: 0.5344291132944857
Energy: 0.5544172259429696
Energy: 0.7657259503165579
Energy: 0.5227978698980567
Energy: 0.5227044717657807
Energy: 0.500421033187993
Energy: 0.5226467258918541
Energy: 0.49696892434979584
Energy: 0.6018425486240512
Energy: 0.5380990061683458
Energy: 0.5363886102905284
Energy: 0.5095556717512684
Energy: 0.5372472838943217
Energy: 0.5364528560395089
Energy: 0.557937974359868
Energy: 0.5321096664603475
Energy: 0.5317217832456325
Energy: 0.585202459294268
Energy: 0.5323659523087861
Energy: 0.5244308726159315
Energy: 0.5594646405864936
Energy: 0.5462987747908733
Energy: 0.5460379540227348
Energy: 0.4845123579998593
Energy: 0.5479033607313565
Energy: 0.6030973313910618
Energy: 0.5590023618648478
Energy: 0.5240393805785328
Energy: 0.5204340453784231
Energy: 0.559249542449311
Energy: 0.5244660932666294
Energy: 0.5194851843302938
Energy: 0.5032936458712286
Energy: 0.5013617641296432
Energy: 0.4713147560318334
Energy: 0.5036017068440061
Energy: 0.48803696132649055
Energy: 0.5028513018894197
Energy: 0.514035598717475
Energy: 0.541523608943547
Energy: 0.5131912038668619
Energy: 0.5140636760211462
Energy: 0.5403853633270386
Energy: 0.5138578242088243
Energy: 0.513511037609427
Energy: 0.5734178536655054
Energy: 0.5746032514956322
Energy: 0.5133827090964014
Energy: 0.5736585957613717
Energy: 0.571589421777232
Energy: 0.6041085636765136
Energy: 0.5252465822376167
Energy: 0.5151011882234634
Energy: 0.5137433940434821
Energy: 0.5556247046907137
Energy: 0.5066347806175855
Energy: 0.5228274544023076
Energy: 0.5057785404395011
Energy: 0.5067385198408795
Energy: 0.5078335163456099
Energy: 0.505683136804727
Energy: 0.5058824224177105
Energy: 0.5224617409449809
Energy: 0.5070238997501842
Energy: 0.5056162769030004
Energy: 0.5053013210821484
Energy: 0.5067229198860193
Energy: 0.5118308431573095
Energy: 0.6257587513664594
Energy: 0.5137602008913463
Energy: 0.5143848048272408
Energy: 0.5363798998214515
Energy: 0.5134522511809854
Energy: 0.5691393388008228

minimum gb energy = 0.4445117258993872 eV
minimum distance =  2.59002351774916 Angstroms
sigma value = 57


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

Energy: 0.33252586513925403
Energy: 0.32667067512069964
Energy: 0.2941820784714883
Energy: 0.288121809000978
Energy: 0.4318246931091634
Energy: 0.3330017584051256
Energy: 0.3327644883726495
Energy: 0.4057325327991283
Energy: 0.39489733795475285
Energy: 0.4471321960988442
Energy: 0.3850560336683114
Energy: 0.38002944266477323
Energy: 0.4091789994501023
Energy: 0.38762246767376346
Energy: 0.3880507070336549
Energy: 0.4004967327003524
Energy: 0.3883767163852289
Energy: 0.38773085947840485
Energy: 0.41188483197252385
Energy: 0.3946928567597245
Energy: 0.4028585010400969
Energy: 0.40112041717918834
Energy: 0.41873867408778637
Energy: 0.3945803565432976
Energy: 0.4128045962279312
Energy: 0.28689631926332215
Energy: 0.3025009674717661
Energy: 0.42418186977696615
Energy: 0.28670609356987814
Energy: 0.4051736145377902
Energy: 0.3861935580637758
Energy: 0.28671377627049943
Energy: 0.2869549434978159
Energy: 0.37527524048229555
Energy: 0.28660544211906835
Energy: 0.3022468076069585
Energy: 0.3862944310674504
Energy: 0.37198890659640566
Energy: 0.3979024448160717
Energy: 0.3983933856229642
Energy: 0.3867320918963468
Energy: 0.39818956564672614
Energy: 0.3860884831498228
Energy: 0.4112161056591189
Energy: 0.3889883459390045
Energy: 0.38569074239586254
Energy: 0.4107037568058867
Energy: 0.38799522611317316
Energy: 0.4110048222511627
Energy: 0.4006433477576394
Energy: 0.39537001675655176
Energy: 0.3868090029133404
Energy: 0.39847592192560854
Energy: 0.3951260315627238
Energy: 0.28657126984738746
Energy: 0.4143613874152962
Energy: 0.30284484171607057
Energy: 0.28660362008806667
Energy: 0.39810625833143065
Energy: 0.2868003785897382
Energy: 0.2866726726955092
Energy: 0.3977718476273809
Energy: 0.3960521847631501
Energy: 0.28671271677088067
Energy: 0.3980509034649543
Energy: 0.30507566620489035
Energy: 0.41269286571794384
Energy: 0.39957783668240154
Energy: 0.3988127546508325
Energy: 0.41943853966001116
Energy: 0.38716371303485897
Energy: 0.3991447008553136
Energy: 0.41044258834273595
Energy: 0.4135628418042215
Energy: 0.41314053031162506
Energy: 0.41227770185249
Energy: 0.4116004415730861
Energy: 0.4119681877043338
Energy: 0.4118354894243146
Energy: 0.38643428796072493
Energy: 0.3965321378196154
Energy: 0.4221543080279986
Energy: 0.39680601929002823
Energy: 0.3860234180821828
Energy: 0.39821073643080684
Energy: 0.2867415445372234
Energy: 0.28672027700914327
Energy: 0.3792123254428088
Energy: 0.28983951189217627
Energy: 0.28728171911893813
Energy: 0.39055997567474177
Energy: 0.397015717000744
Energy: 0.404225505482786
Energy: 0.39977555023742356
Energy: 0.2867746255003615
Energy: 0.38692576924470456
Energy: 0.38695553333627275
Energy: 0.3815493951028493
Energy: 0.40285971894157624
Energy: 0.39747234168526946
Energy: 0.39606455472995883
Energy: 0.40289367580462926
Energy: 0.4092273172807449
Energy: 0.4104446372389047
Energy: 0.39339581786539546
Energy: 0.42241779416914715
Energy: 0.41558685517637417
Energy: 0.3888831958858426
Energy: 0.3326993673599659
Energy: 0.3946871856529734
Energy: 0.42048152827580315
Energy: 0.28673566913308035
Energy: 0.4672960141314064
Energy: 0.40612754164192055

minimum gb energy = 0.28657126984738746 eV
minimum distance =  2.69229862761675 Angstroms
sigma value = 11


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

Energy: 0.8097588265251588
Energy: 0.6461972091843031
Energy: 0.707138210765748
Energy: 0.5994426319660433
Energy: 1.0508391535358546
Energy: 0.7507508835126154
Energy: 0.4842934629691549
Energy: 0.46695660232597674
Energy: 0.48236923463622616
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Energy: 0.5805159108011209
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Energy: 0.4959819626618343
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Energy: 0.49628310533285286
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Energy: 0.49980403344362323
Energy: 0.4719886570682907
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Energy: 0.4988819798119286
Energy: 0.46810600794262774
Energy: 0.6250414433946357
Energy: 0.5747221413666039
Energy: 0.5411379674976798
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Energy: 0.5428868571810859
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Energy: 0.49606112573845734
Energy: 0.49154355983540166
Energy: 0.49070830103068286
Energy: 0.496143131435829
Energy: 0.4615141473426501
Energy: 0.6079725514284979
Energy: 0.49954103102028846
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Energy: 0.46961804415035086
Energy: 0.49994307048349873
Energy: 0.46891259648307126
Energy: 0.5555619205745935
Energy: 0.5817943792958346
Energy: 0.5392763004359755
Energy: 0.5266954127938537
Energy: 0.5784132594775706
Energy: 0.5804115620017942
Energy: 0.6592619772303691
Energy: 0.5011193189668123
Energy: 0.4511856040960109
Energy: 0.46879350051680213
Energy: 0.5025942532100031
Energy: 0.4680855722569634
Energy: 0.6419861485531917
Energy: 0.5791794133637591
Energy: 0.541277822599852
Energy: 0.6412071738428259
Energy: 0.5795130133860364
Energy: 0.5284089663692042
Energy: 0.4750975032862774
Energy: 0.4561824034931291
Energy: 0.47427879027943054
Energy: 0.4755074442993483
Energy: 0.4704362333370786
Energy: 0.4680948449246236
Energy: 0.47595364472651314
Energy: 0.464231521957575
Energy: 0.4654471577101767
Energy: 0.4757397051613679
Energy: 0.4689934060290547
Energy: 0.4645657342688461
Energy: 0.4685321780533546
Energy: 0.46932220449427275
Energy: 0.4650096821724279
Energy: 0.4689922753732512
Energy: 0.47017395449931326
Energy: 0.505135321491597
Energy: 0.649349630971192
Energy: 0.473157010652876
Energy: 0.4828909793154795
Energy: 0.5045743322413382
Energy: 0.46667166844152347
Energy: 0.4539681484507839

minimum gb energy = 0.45105795521833614 eV
minimum distance =  2.61297828070447 Angstroms
sigma value = 41


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

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Energy: 0.5669324566603855
Energy: 0.5678818207970321
Energy: 0.5640072371463103
Energy: 0.5976508095946915
Energy: 0.5797562744351163
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Energy: 0.5041592339340423
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Energy: 0.49663975810052424
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Energy: 0.49486268865852745
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Energy: 0.5122468952357154
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Energy: 0.4539508477838643
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Energy: 0.47968099696417354
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Energy: 0.6620079618948004
Energy: 0.6489130692180601
Energy: 0.5254843357521425
Energy: 0.6618648632715607
Energy: 0.6494111594786736
Energy: 0.5253834129487529
Energy: 0.5695719943182602
Energy: 0.49738179862795645
Energy: 0.47963633385097537
Energy: 0.5031202906088174
Energy: 0.5023316207269016
Energy: 0.48083060609818457
Energy: 0.5338680203525306
Energy: 0.5262968687948676
Energy: 0.5159167102303269
Energy: 0.5345201725464646
Energy: 0.5273411602227565
Energy: 0.5006049156359471
Energy: 0.5674144250326318
Energy: 0.4970644643317419
Energy: 0.47907934320757145
Energy: 0.5036856612496884
Energy: 0.49744379779307085
Energy: 0.4801224161464608
Energy: 0.5692362935193007
Energy: 0.49655019957073265
Energy: 0.5053570721327693
Energy: 0.502320092058764
Energy: 0.4966369042048113
Energy: 0.4764294434650587
Energy: 0.6420051191885371
Energy: 0.505391779856493
Energy: 0.5050423254056263
Energy: 0.5623080233385516
Energy: 0.6696911390925707
Energy: 0.47172527840393974
Energy: 0.6427977778909314
Energy: 0.461911187300953
Energy: 0.48824931877380195
Energy: 0.513867325267889
Energy: 0.46864799658249456
Energy: 0.47613375046575573
Energy: 0.49880911299249486
Energy: 0.5584761005825176
Energy: 0.5690377158118365
Energy: 0.4988483521343573
Energy: 0.5585860599607667
Energy: 0.5496840488886837
Energy: 0.49727562703981326
Energy: 0.4749008628827648
Energy: 0.4756694224600271
Energy: 0.49723348300336306
Energy: 0.49350055370296836
Energy: 0.4756598863339502
Energy: 0.5270409562905668
Energy: 0.507380263285746
Energy: 0.5291613100964111
Energy: 0.5129213268718871
Energy: 0.5076481338520893
Energy: 0.5258627975181703
Energy: 0.50460400079212
Energy: 0.4966987688626839
Energy: 0.49040232425936486
Energy: 0.5049466065689374
Energy: 0.5037762764136681
Energy: 0.4970482349411376
Energy: 0.7458705832458413
Energy: 0.5081866345879084
Energy: 0.46181162192412567
Energy: 0.47016630522704006
Energy: 0.6433680813874545
Energy: 0.4631255812550804

minimum gb energy = 0.4539508477838643 eV
minimum distance =  2.61706752459485 Angstroms
sigma value = 33


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

Energy: 0.6190280839874567
Energy: 0.540518779491863
Energy: 0.540526130256167
Energy: 0.619986752941078
Energy: 0.6167983314471921
Energy: 0.5418570741532234
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Energy: 0.5880564376430564
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Energy: 0.49116382502466366
Energy: 0.5371967281989698
Energy: 0.49622989826522673
Energy: 0.8664597248001169
Energy: 0.6199709984750993
Energy: 0.4821854465793741
Energy: 0.5708336110081966
Energy: 0.6197817538418449
Energy: 0.4823309334610382

minimum gb energy = 0.48165331292032776 eV
minimum distance =  2.65589098758839 Angstroms
sigma value = 67


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

Energy: 0.6884761354654103
Energy: 0.45070439676474017
Energy: 0.4521903176041653
Energy: 0.690382332664651
Energy: 0.4731068334609302
Energy: 0.44906205521393133
Energy: 0.7015656491712087
Energy: 0.4296919926362444
Energy: 0.4284170023569945
Energy: 0.4279768352317544
Energy: 0.42838842491209467
Energy: 0.4283866081856277
Energy: 0.5645647959270617
Energy: 0.4114130618634719
Energy: 0.42798780590943103
Energy: 0.5632164360458789
Energy: 0.41136491467365344
Energy: 0.42794377905497355
Energy: 0.5291710879314058
Energy: 0.4282175129539713
Energy: 0.42804320127717
Energy: 0.5293850962422688
Energy: 0.4279601682552833
Energy: 0.4280528999763596
Energy: 0.530120783258291
Energy: 0.4280020525523573
Energy: 0.42801930252731657
Energy: 0.5297509062093757
Energy: 0.42788516848527636
Energy: 0.4280406381651
Energy: 0.5297746945676638
Energy: 0.42654085506117334
Energy: 0.4293432204411613
Energy: 0.529724343666018
Energy: 0.5610915311165345
Energy: 0.5300548575678241
Energy: 0.7022415079215961
Energy: 0.43018698675532097
Energy: 0.42954097237527583
Energy: 0.5431520923266466
Energy: 0.428255185222213
Energy: 0.42920047730655486

minimum gb energy = 0.41136491467365344 eV
minimum distance =  2.7350290685688 Angstroms
sigma value = 3


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

Energy: 0.8473599980623561
Energy: 0.6886415374693654
Energy: 0.5906425212862506
Energy: 0.8211835457324724
Energy: 0.6736824834815537
Energy: 0.6023240810328606
Energy: 0.5079855426835712
Energy: 0.5819958735682874
Energy: 0.5617147196511204
Energy: 0.527622668767616
Energy: 0.5594729664506187
Energy: 0.5210387348588262
Energy: 0.6332904174850733
Energy: 0.49899954229085247
Energy: 0.4986137953674403
Energy: 0.63827851811354
Energy: 0.4988933655427599
Energy: 0.5195340592075718
Energy: 0.519265156040906
Energy: 0.49130423979450044
Energy: 0.5131518171168752
Energy: 0.5182390478432517
Energy: 0.4986889305266271
Energy: 0.5142647590473273
Energy: 0.520765294417891
Energy: 0.5148532166638883
Energy: 0.5136093569443286
Energy: 0.5200748890383095
Energy: 0.5543434181329809
Energy: 0.5144161460704016
Energy: 0.5284738339270495
Energy: 0.5513836793395422
Energy: 0.5136482365257234
Energy: 0.521379226994682
Energy: 0.5389501393457058
Energy: 0.5118851114711733
Energy: 0.5254806505714104
Energy: 0.5724181455248468
Energy: 0.577287916653806
Energy: 0.5682996841833263
Energy: 0.5971508003717211
Energy: 0.5717840285182628
Energy: 0.796225723775048
Energy: 0.6776595027200242
Energy: 0.5809443512349762
Energy: 0.5049117965999007
Energy: 0.7164705450702616
Energy: 0.5646651750870394
Energy: 0.5262840295103325
Energy: 0.5641576172840936
Energy: 0.560122656444696
Energy: 0.5343323454822948
Energy: 0.5958950659604921
Energy: 0.5246933451988218
Energy: 0.5947215740115498
Energy: 0.5098848597985753
Energy: 0.509768227556833
Energy: 0.6710623188676259
Energy: 0.5101844396400727
Energy: 0.5845743715948446
Energy: 0.5961803976714138
Energy: 0.5046823433386213
Energy: 0.5038375314333838
Energy: 0.6154503530013871
Energy: 0.6013311156240263
Energy: 0.5720105799173639
Energy: 0.6071822130870138
Energy: 0.6204310411637372
Energy: 0.5150797315266888
Energy: 0.5491885757228281
Energy: 0.535070726722222
Energy: 0.5153781344486903
Energy: 0.6477108845363023
Energy: 0.5134124333904082
Energy: 0.5131458194768339
Energy: 0.528100983059077
Energy: 0.5133301157529088
Energy: 0.5136777268960026
Energy: 0.6126528759341281
Energy: 0.5171814595644755
Energy: 0.5121306674398663
Energy: 0.5606138502137732
Energy: 0.5150371970984987
Energy: 0.5123335366264852
Energy: 0.6995404555561892
Energy: 0.512518863181085
Energy: 0.5360169061567903
Energy: 0.5493721220289737
Energy: 0.5123383350373415
Energy: 0.5545521948300803
Energy: 0.6046205467694253
Energy: 0.5172695534233358
Energy: 0.5127176492674378
Energy: 0.6057388161277929
Energy: 0.6176006263957824
Energy: 0.5151843863036933
Energy: 0.7556327000127496
Energy: 0.5472227606431305
Energy: 0.5473406843949432
Energy: 0.6621044122845222
Energy: 0.5475225217553241
Energy: 0.6945787799606313
Energy: 0.5739226894298575
Energy: 0.5157028667849011
Energy: 0.5468778434931957
Energy: 0.590393570501506
Energy: 0.5463226473663935
Energy: 0.5562706168005965
Energy: 0.6518345014510438
Energy: 0.629175974214614
Energy: 0.5180332439980121
Energy: 0.5933443413050835
Energy: 0.6673411717017799
Energy: 0.5098548073597782
Energy: 0.7454995366064578
Energy: 0.5379239059163907
Energy: 0.5299699011297568
Energy: 0.5098803450404953
Energy: 0.5554864512031321
Energy: 0.5098984906033276
Energy: 0.5781192649342993
Energy: 0.555028629169688
Energy: 0.5557428149674805
Energy: 0.529726003399342
Energy: 0.553908356313716
Energy: 0.5483432540449438
Energy: 0.557620824060631
Energy: 0.5479218365799938
Energy: 0.6230480023663251
Energy: 0.5175286684706275
Energy: 0.5623723847519035
Energy: 0.5667485194314422
Energy: 0.5604311094873541
Energy: 0.5698472442264955
Energy: 0.5176100538770991
Energy: 0.5614729971877688
Energy: 0.5970489555662573
Energy: 0.5179990403577555
Energy: 0.5562483376230383
Energy: 0.5043143185597102
Energy: 0.5025591462306124
Energy: 0.5564077228522826
Energy: 0.5026270686849466
Energy: 0.5565452000472072
Energy: 0.5153617200923025
Energy: 0.5167830543706424
Energy: 0.517355775291761
Energy: 0.5742192733851298
Energy: 0.5673736244072745
Energy: 0.5164809014678593
Energy: 0.834760418220751
Energy: 0.6811193675667905
Energy: 0.6371015742366362
Energy: 0.4886635572195287
Energy: 0.7071952414852796
Energy: 0.5292474031821691
Energy: 0.4973023630005203
Energy: 0.6430290051629883
Energy: 0.6238392305552668
Energy: 0.48836905627585175
Energy: 0.6496666680099961
Energy: 0.4886043024576787
Energy: 0.5174333326848926
Energy: 0.5170905608758052
Energy: 0.5167938461095127
Energy: 0.5865457309859284
Energy: 0.5926604840341603
Energy: 0.5164025472564602
Energy: 0.5153678524632187
Energy: 0.49908356150816374
Energy: 0.4985522333467433
Energy: 0.5153559408572406
Energy: 0.49867655761014285
Energy: 0.515895482373333
Energy: 0.5156078594448521
Energy: 0.5202905270178074
Energy: 0.5168173539255299
Energy: 0.516737912759696
Energy: 0.6026974285818801
Energy: 0.5172536581196243
Energy: 0.5160051114700376
Energy: 0.5907398488808504
Energy: 0.5475942915569895
Energy: 0.516161909112097
Energy: 0.5540164151701198
Energy: 0.5185296643709071
Energy: 0.530519564957532
Energy: 0.5361007647465317
Energy: 0.5530063301434813
Energy: 0.5328977007592444
Energy: 0.5975761815595909
Energy: 0.5399878490014894
Energy: 0.7989758892232456
Energy: 0.6083748166786017
Energy: 0.6010354036550781
Energy: 0.5041716465186405
Energy: 0.6117100573977787
Energy: 0.5477934188054825
Energy: 0.5480983855777476
Energy: 0.5867688089095154
Energy: 0.5685556331917965
Energy: 0.5482320957213583
Energy: 0.5897867410526478
Energy: 0.5663463733070613
Energy: 0.6002330949158305
Energy: 0.5043886026286918
Energy: 0.5039444435034524
Energy: 0.6038653020762812
Energy: 0.5966680400106461
Energy: 0.5486842845690463
Energy: 0.6298381190518251
Energy: 0.5099349599754751
Energy: 0.5098027797336222
Energy: 0.6242849638970248
Energy: 0.5101802625652134
Energy: 0.584737710076098
Energy: 0.6040283324452246
Energy: 0.55926941463604
Energy: 0.555652823803037
Energy: 0.6042162920542531
Energy: 0.5290743647492503
Energy: 0.5196432090254254
Energy: 0.6542870138249174
Energy: 0.5136349060345363
Energy: 0.5133078721777108
Energy: 0.6470544318420824
Energy: 0.5137025867272393
Energy: 0.5139350762749304
Energy: 0.6145994615756054
Energy: 0.5159916687586867
Energy: 0.5119823428743114
Energy: 0.550177645434522
Energy: 0.5159108119652561
Energy: 0.5119579544568481
Energy: 0.6983733882645693
Energy: 0.5122841186889753
Energy: 0.512785170217946
Energy: 0.5482472334165027
Energy: 0.5122714695051626
Energy: 0.512640344537222
Energy: 0.6047005299343504
Energy: 0.5592316810975496
Energy: 0.5129709783968343
Energy: 0.5485756887860371
Energy: 0.6343996833183915
Energy: 0.5136125536473188
Energy: 0.6350503441492429
Energy: 0.5532646395253666
Energy: 0.5581507287911199
Energy: 0.6488760256833099
Energy: 0.5077814020396761
Energy: 0.5666727721960029
Energy: 0.6651907574192059
Energy: 0.5471033886055208
Energy: 0.5471643005528622
Energy: 0.6874903718622886
Energy: 0.5472973550219925
Energy: 0.556193057216113
Energy: 0.5708933929510267
Energy: 0.521534865190858
Energy: 0.517485443057777
Energy: 0.5438694301033866
Energy: 0.6446235863146957
Energy: 0.5174570836883511
Energy: 0.7502211320050965
Energy: 0.5483635481306242
Energy: 0.5310841675793918
Energy: 0.5212265626083418
Energy: 0.5484805355971614
Energy: 0.5312479494880424
Energy: 0.5712397250196755
Energy: 0.5314691507770584
Energy: 0.5356239161351175
Energy: 0.5188591720891862
Energy: 0.5539723795786651
Energy: 0.5311806412260465
Energy: 0.567878096958397
Energy: 0.5542026809008028
Energy: 0.5263724058028076
Energy: 0.5195868528693752
Energy: 0.5303190351013791
Energy: 0.5263064661493027
Energy: 0.565799348319525
Energy: 0.6014620232916055
Energy: 0.5326371416301457
Energy: 0.514466606746542
Energy: 0.5619011190029363
Energy: 0.5664287131171423
Energy: 0.5585800655466754
Energy: 0.5037904849660679
Energy: 0.5138774559510567
Energy: 0.5575114708041881
Energy: 0.5027996092383367
Energy: 0.5147200278119823
Energy: 0.6458295583131878
Energy: 0.5030115287559471
Energy: 0.5025717325022934
Energy: 0.6509360095023727
Energy: 0.5026525937189478
Energy: 0.5191458354202085
Energy: 0.5080144121517308
Energy: 0.5791971182237123
Energy: 0.5865500020372564
Energy: 0.6000539945065078
Energy: 0.5174689831094257
Energy: 0.5204804206000525

minimum gb energy = 0.48836905627585175 eV
minimum distance =  2.65234611113724 Angstroms
sigma value = 81


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

Energy: 0.9046346415702218
Energy: 0.580832959079465
Energy: 0.5549618957041142
Energy: 0.5654338341372703
Energy: 0.5646804482244658
Energy: 0.5638559268200612
Energy: 0.5251836419538899
Energy: 0.5621769788156632
Energy: 0.5437527318398273
Energy: 0.5467730849866103
Energy: 0.561181983871465
Energy: 0.5754302130321992
Energy: 0.5522234571099575
Energy: 0.5478436474643583
Energy: 0.5251767239440712
Energy: 0.5864622683916726
Energy: 0.5183949969933289
Energy: 0.5693857288290606
Energy: 0.5481657561674524
Energy: 0.5479389536296695
Energy: 0.5480789138551696
Energy: 0.5468614955865037
Energy: 0.5173745686568727
Energy: 0.5493123165659466
Energy: 0.5492928612109214
Energy: 0.5675986515423855
Energy: 0.564930011325871
Energy: 0.5472029769500587
Energy: 0.5679328328694411
Energy: 0.5682175608668759
Energy: 0.6659531377603894
Energy: 0.5690780333865303
Energy: 0.5614932147079698
Energy: 0.6577469975553836
Energy: 0.5663219202424009
Energy: 0.5516276158491147
Energy: 0.5740731962894107
Energy: 0.5553987101978616
Energy: 0.5686608029257987
Energy: 0.5477253564643886
Energy: 0.556472258396346
Energy: 0.5491381017152037
Energy: 0.7623459302324337
Energy: 0.5789360587284315
Energy: 0.6087105883553066
Energy: 0.762500235238444
Energy: 0.5791293714750224
Energy: 0.5337250931198623
Energy: 0.572221783293128
Energy: 0.55284103651208
Energy: 0.548540953069196
Energy: 0.5525638702236108
Energy: 0.5675408653157482
Energy: 0.5646480821427843
Energy: 0.6788149995400866
Energy: 0.5096705889503227
Energy: 0.5097569512000155
Energy: 0.6492668749483378
Energy: 0.5096057976594988
Energy: 0.5098810483687728
Energy: 0.5710966870653691
Energy: 0.5096699019938294
Energy: 0.5095923410187344
Energy: 0.5716255257893541
Energy: 0.5203274703358711
Energy: 0.5466401240404046
Energy: 0.5530028613088712
Energy: 0.5664921356246941
Energy: 0.5408698218560651
Energy: 0.5177597268217905
Energy: 0.5364144688708745
Energy: 0.5401680964780595
Energy: 0.5532278065780237
Energy: 0.5232407012908913
Energy: 0.5234241479446976
Energy: 0.5171975628568648
Energy: 0.5429780478256492
Energy: 0.5281244505562157
Energy: 0.5837077822969265
Energy: 0.5249712338716044
Energy: 0.5590901044671198
Energy: 0.577417523599028
Energy: 0.556019222531172
Energy: 0.5579418541149376
Energy: 0.7540402028751246
Energy: 0.5992279980066254
Energy: 0.5888395149683257
Energy: 0.5511869433310621
Energy: 0.5575995529054426
Energy: 0.5503610020422001
Energy: 0.5675419172437858
Energy: 0.5526065241636837
Energy: 0.5523560208852232
Energy: 0.5677923046420772
Energy: 0.556091349063495
Energy: 0.5522148714307167
Energy: 0.571062644782633
Energy: 0.543106304159657
Energy: 0.5088547377912781
Energy: 0.5635903817431854
Energy: 0.5556212945265905
Energy: 0.5340567719812669
Energy: 0.5175821107806521
Energy: 0.53954161544646
Energy: 0.5390504621037234
Energy: 0.5172929648113593
Energy: 0.5590575694609208
Energy: 0.5506026582262258
Energy: 0.48781054214108366
Energy: 0.6702047958952491
Energy: 0.4872914082895353
Energy: 0.4875108683267612
Energy: 0.6738637153568211
Energy: 0.4872932428058583
Energy: 0.48768187465803386
Energy: 0.5728402359419127
Energy: 0.4871237225806517
Energy: 0.48728280344556896
Energy: 0.5735298377885302
Energy: 0.48712644983499886
Energy: 0.5176226134520032
Energy: 0.5383910489214369
Energy: 0.539853496136316
Energy: 0.5176830000533262
Energy: 0.5598391784249259
Energy: 0.5506747318296613
Energy: 0.5602703775553187
Energy: 0.5482309415779226
Energy: 0.5707503552625014
Energy: 0.5603452738899412
Energy: 0.5449856775622163
Energy: 0.5706892875390605
Energy: 0.5641163188873907
Energy: 0.5532566047988682
Energy: 0.5541490483917575
Energy: 0.5646330676817796
Energy: 0.5464976518448239
Energy: 0.5559476519141145
Energy: 0.5627460473397874
Energy: 0.5732159239158655
Energy: 0.5528674029808781
Energy: 0.5611624212334405
Energy: 0.5737801513939131
Energy: 0.5526406761350945
Energy: 0.680859502387936
Energy: 0.5398348334228255
Energy: 0.5607163330459132
Energy: 0.6746451702091559
Energy: 0.5572834148131406
Energy: 0.5617623654528341
Energy: 0.741218675680427
Energy: 0.5262832215840085
Energy: 0.5394136143240943
Energy: 0.536681495212051
Energy: 0.5261998303067602
Energy: 0.5388389426776922
Energy: 0.5591825567529511
Energy: 0.5660960162940203
Energy: 0.5411594084782323
Energy: 0.5360577438688225
Energy: 0.5365891479051855
Energy: 0.54016964793546
Energy: 0.6686339829052182
Energy: 0.5096075514511355
Energy: 0.5307977659675642
Energy: 0.6686670105000608
Energy: 0.5204256074340802
Energy: 0.5585331185501304
Energy: 0.5740875901742089
Energy: 0.5097684097717269
Energy: 0.5098456673445526
Energy: 0.5518497343275625
Energy: 0.5098390977822473
Energy: 0.5595866024939922
Energy: 0.5732613643956797
Energy: 0.5531775830720308
Energy: 0.548794052098967
Energy: 0.5536709921857774
Energy: 0.5679604649873692
Energy: 0.5320919117505324
Energy: 0.5527919483015721
Energy: 0.6219587629978611
Energy: 0.5933387763830588
Energy: 0.5176243137223426
Energy: 0.6223245650953406
Energy: 0.540501767281171
Energy: 0.5718197049670012
Energy: 0.5527162792873246
Energy: 0.5327098025785837
Energy: 0.546828543667403
Energy: 0.5543054751051469
Energy: 0.5341864389082056
Energy: 0.7489616599101344
Energy: 0.5686002116765535
Energy: 0.5664959641215261
Energy: 0.5705733023484727
Energy: 0.5535630782354891
Energy: 0.5677098518519033
Energy: 0.5522849793808191
Energy: 0.6697040494017269
Energy: 0.5688988692850578
Energy: 0.5509252173071135
Energy: 0.6587530493983997
Energy: 0.5725590685170279
Energy: 0.550992613346788
Energy: 0.5437573898314478
Energy: 0.56209671057167
Energy: 0.5495943214355795
Energy: 0.5416030955770983
Energy: 0.5647618587189903
Energy: 0.5833129868445933
Energy: 0.5431119275050116
Energy: 0.5419796934327465
Energy: 0.5861127969561936
Energy: 0.5350278416948534
Energy: 0.5795459905719548
Energy: 0.5514602985360386
Energy: 0.5353223155550573
Energy: 0.5444135046156967
Energy: 0.5424301972506053
Energy: 0.6601711919613426
Energy: 0.5695138107297618
Energy: 0.9052431684755128
Energy: 0.5942207855253321
Energy: 0.5567822793303049
Energy: 0.536052324302403
Energy: 0.5930532393287795
Energy: 0.5639126965910596

minimum gb energy = 0.4871237225806517 eV
minimum distance =  2.5759295334706 Angstroms
sigma value = 43


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

Energy: 0.8666535319637829
Energy: 0.7605373299404858
Energy: 0.6310367872625992
Energy: 0.5486208414015019
Energy: 0.7872821433717454
Energy: 0.5483695037074332
Energy: 0.5025089754407426
Energy: 0.5433724289442387
Energy: 0.5916707494386549
Energy: 0.5813848859286513
Energy: 0.5449090745987367
Energy: 0.5305886725201152
Energy: 0.6785396034823871
Energy: 0.5045229216283187
Energy: 0.5035786036702188
Energy: 0.6792822212911039
Energy: 0.5044046684147159
Energy: 0.5477696097133162
Energy: 0.5190076667203958
Energy: 0.5020029098373531
Energy: 0.5182043692221601
Energy: 0.5190144255257432
Energy: 0.5533951823927116
Energy: 0.5180965279139823
Energy: 0.5176366047357317
Energy: 0.5304090337242024
Energy: 0.5208259994610751
Energy: 0.5179304475661961
Energy: 0.5305693153381067
Energy: 0.5312209517255969
Energy: 0.5195504447652318
Energy: 0.5327537675047959
Energy: 0.5302972488145626
Energy: 0.5203191146545487
Energy: 0.5205969884484293
Energy: 0.5332990947115209
Energy: 0.5455120941642232
Energy: 0.5179092950508404
Energy: 0.5175317188552413
Energy: 0.545227904796636
Energy: 0.5184943394154878
Energy: 0.5175775555980426
Energy: 0.7380699927631901
Energy: 0.518887153223313
Energy: 0.51866820590564
Energy: 0.552648602031958
Energy: 0.5185230498345965
Energy: 0.6318172419470584
Energy: 0.5452919445210122
Energy: 0.5181693576262991
Energy: 0.5179772689299411
Energy: 0.545887790006398
Energy: 0.6115214537034703
Energy: 0.5183220330297302
Energy: 0.5848932554816069
Energy: 0.5920008381043013
Energy: 0.5919253012060481
Energy: 0.585871774362957
Energy: 0.5923753115176003
Energy: 0.6172426262453389
Energy: 0.5025535517632621
Energy: 0.5211536816627548
Energy: 0.5517261753428886
Energy: 0.5034621972922112
Energy: 0.583844104057607
Energy: 0.5726427852743767
Energy: 0.5827870146508618
Energy: 0.6232010654826444
Energy: 0.5476751994555907
Energy: 0.5024896182107248
Energy: 0.6789397295068977
Energy: 0.5179630180881134
Energy: 0.7792085397312505
Energy: 0.5192223647972654
Energy: 0.5596373611683094
Energy: 0.5027941788179728
Energy: 0.5358734277887532
Energy: 0.5333292579961022
Energy: 0.5027051883391528
Energy: 0.5356838374267034
Energy: 0.5780167318651728
Energy: 0.5027197355195465
Energy: 0.5555485097020867
Energy: 0.5785817806941934
Energy: 0.5037557116317783
Energy: 0.5776631091322895
Energy: 0.5045625314365528
Energy: 0.5036977841341336
Energy: 0.5586617839416255
Energy: 0.5041156884278807
Energy: 0.5025623866492027
Energy: 0.5011896178001973
Energy: 0.5027904791304598
Energy: 0.5025520143224013
Energy: 0.544476131587171
Energy: 0.5014621270668235
Energy: 0.5033345963264414
Energy: 0.5036647808830801
Energy: 0.5034239214497479
Energy: 0.503291622387981
Energy: 0.5773882252646828
Energy: 0.5036901608461958
Energy: 0.5032765520690223
Energy: 0.5515960434425453
Energy: 0.5519567528344689
Energy: 0.5027457571535376
Energy: 0.5806379740716789
Energy: 0.5010055939547217
Energy: 0.5446723868455805
Energy: 0.5478924195233532
Energy: 0.5440141974188399
Energy: 0.5788569639214967
Energy: 0.5480727272988001
Energy: 0.5174702499793367
Energy: 0.543901511286024
Energy: 0.6402861803764127
Energy: 0.5441288034678952
Energy: 0.5176116453733811
Energy: 0.5871834224380108
Energy: 0.5182082319538917
Energy: 0.5025628592007949
Energy: 0.569532362779638
Energy: 0.5522700076229932
Energy: 0.5023575522215916
Energy: 0.570751172239455
Energy: 0.5520211824511554
Energy: 0.6717211515336032
Energy: 0.5331275077940882
Energy: 0.5957802008359945
Energy: 0.671658291250759
Energy: 0.5010600550744134
Energy: 0.5958988818235039
Energy: 0.5801637759261349
Energy: 0.5524502163460127
Energy: 0.5511596329000762
Energy: 0.5809790778582273
Energy: 0.5478456526831743
Energy: 0.5523685384833451
Energy: 0.6924634210054932
Energy: 0.6492753383791301
Energy: 0.5970329264234161
Energy: 0.6020242434015923
Energy: 0.5034589858254902
Energy: 0.504569472056534
Energy: 0.5803377850361008
Energy: 0.5022691842952897
Energy: 0.5023951772629952
Energy: 0.5803898014930942
Energy: 0.502262194836139
Energy: 0.5023299357130179
Energy: 0.555079768115681
Energy: 0.5028628481201842
Energy: 0.5023831887058514
Energy: 0.577787798845633
Energy: 0.5023508801676502
Energy: 0.502793996962007
Energy: 0.5568748517247822
Energy: 0.5928069022341743
Energy: 0.5282883518055876
Energy: 0.5570728821837675
Energy: 0.5024537726108124
Energy: 0.5779874314325517
Energy: 0.5509526041865779
Energy: 0.5787459809726379
Energy: 0.5178054948362717
Energy: 0.5356790849004339
Energy: 0.5322455377510871
Energy: 0.5180496822856946
Energy: 0.7265888341700065
Energy: 0.518288650954748
Energy: 0.5350176673396665
Energy: 0.7265685074648235
Energy: 0.5508346335011607
Energy: 0.5972442033037912
Energy: 0.5186536497414402
Energy: 0.5433361365146742
Energy: 0.5776335531619656
Energy: 0.5185061834599883
Energy: 0.5034313470778736
Energy: 0.5175703529371835
Energy: 0.8685929118114752
Energy: 0.6922279536376573
Energy: 0.7039676872137388
Energy: 0.5337040245347578
Energy: 0.7535413782270717
Energy: 0.6510422968077311

minimum gb energy = 0.5010055939547217 eV
minimum distance =  2.65709129865663 Angstroms
sigma value = 57


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

Energy: 0.6660609748121311
Energy: 0.5858046541297591
Energy: 0.5844288316674977
Energy: 0.6676059584639186
Energy: 0.5135413011952051
Energy: 0.5839356236036612
Energy: 0.47435808231962134
Energy: 0.5173913822335354
Energy: 0.517459505287166
Energy: 0.5176140698504985
Energy: 0.5176667450544222
Energy: 0.5146066374965335
Energy: 0.6545309809818219
Energy: 0.47123619086518875
Energy: 0.4713006613385219
Energy: 0.6554101674797326
Energy: 0.5299706117033197
Energy: 0.4711636511875895
Energy: 0.51478707014448
Energy: 0.4714141390934145
Energy: 0.4711866393998648
Energy: 0.5149219979380285
Energy: 0.5307377704427534
Energy: 0.5137287797978163
Energy: 0.5136397426218398
Energy: 0.48759952096834724
Energy: 0.48802350697156704
Energy: 0.5136433178717222
Energy: 0.4873442001867005
Energy: 0.4885928109907682
Energy: 0.47102939650707837
Energy: 0.4888793204665309
Energy: 0.48747187965827576
Energy: 0.4875366746870107
Energy: 0.5145206039250667
Energy: 0.4872335177670391
Energy: 0.5182261081064983
Energy: 0.5149899396349839
Energy: 0.5135573159006006
Energy: 0.5182229488941081
Energy: 0.5155495054547568
Energy: 0.5135762410357745
Energy: 0.5153064811599594
Energy: 0.5955486712670139
Energy: 0.5954447005115193
Energy: 0.5140587240467513
Energy: 0.5971550057567466
Energy: 0.514022158829423
Energy: 0.5174452769132066
Energy: 0.5149669378325628
Energy: 0.5138970365262234
Energy: 0.5179776393010496
Energy: 0.5895991104494532
Energy: 0.5141307120558899
Energy: 0.5173444559791045
Energy: 0.5135584962111804
Energy: 0.5135402556434714
Energy: 0.5174060928544336
Energy: 0.5140614937943023
Energy: 0.5799645023671015
Energy: 0.5903099943834434
Energy: 0.5720948664530102
Energy: 0.5162257685677124
Energy: 0.5893022619491077
Energy: 0.5182230261815378
Energy: 0.5140467992081913
Energy: 0.47142430843310035
Energy: 0.5882998838538194
Energy: 0.5154524766098907
Energy: 0.47237396766970213
Energy: 0.5886214070435078
Energy: 0.5558849779712978
Energy: 0.47365812939989405
Energy: 0.5158416723825703
Energy: 0.5558904323666317
Energy: 0.5561102592165307
Energy: 0.5174593025011275
Energy: 0.5562184378529347
Energy: 0.5887481374551408
Energy: 0.5180524095192511
Energy: 0.5173504714911029
Energy: 0.5893227834000877
Energy: 0.5182606278016503
Energy: 0.5140765792839946
Energy: 0.5139513877804215
Energy: 0.5003753198291453
Energy: 0.5000998140138465
Energy: 0.514172072672554
Energy: 0.4715422640155858
Energy: 0.4998402758951951
Energy: 0.5136017184799171
Energy: 0.48951345459974666
Energy: 0.4891744599143592
Energy: 0.5143542538552696
Energy: 0.5182595151020647
Energy: 0.5135790935709091
Energy: 0.5137401243430912
Energy: 0.48732219334607124
Energy: 0.48749397090040386
Energy: 0.5140839139613592
Energy: 0.4876745111814984
Energy: 0.4874841534249366
Energy: 0.5144735725427827
Energy: 0.5140860834665619
Energy: 0.48898504952445254
Energy: 0.5143537428366667
Energy: 0.5137970712232719
Energy: 0.4897053775360969
Energy: 0.5173601255768667
Energy: 0.5136592072997649
Energy: 0.5142781970392167
Energy: 0.4886813310027771
Energy: 0.5135494694394083
Energy: 0.5142262374191114
Energy: 0.5173192720165347
Energy: 0.5810094551453854
Energy: 0.5143766918995301
Energy: 0.5174116693733022
Energy: 0.5880572039942151
Energy: 0.5154659550864942
Energy: 0.5185895833286662
Energy: 0.5640858006346317
Energy: 0.5180533147621587
Energy: 0.5175765438672985
Energy: 0.5183591770953743
Energy: 0.5141815377483716
Energy: 0.7556273765785305
Energy: 0.5132471295433403
Energy: 0.5428390812908801
Energy: 0.5529572517786073
Energy: 0.5134275486094364
Energy: 0.5425232800385904
Energy: 0.5884446747474616
Energy: 0.5176490775079123
Energy: 0.5172791239448828
Energy: 0.5891112588799361
Energy: 0.5182564479977181
Energy: 0.5142176622873623
Energy: 0.473651645415325
Energy: 0.5816456873387406
Energy: 0.5558350555512401
Energy: 0.5562077400612738
Energy: 0.5881919536002854
Energy: 0.5561453500725548

minimum gb energy = 0.47102939650707837 eV
minimum distance =  2.65439789130477 Angstroms
sigma value = 17


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

Energy: 0.7184366939530112
Energy: 0.5961267318422453
Energy: 0.5940881490079837
Energy: 0.49963239405853666
Energy: 0.7123004158617642
Energy: 0.49973261900868104
Energy: 0.474419173958816
Energy: 0.5214479483725376
Energy: 0.521315325635805
Energy: 0.5667751077684806
Energy: 0.5227284663350861
Energy: 0.5215940441948863
Energy: 0.6308520013450111
Energy: 0.4742053133290564
Energy: 0.474280517134201
Energy: 0.6317782653904673
Energy: 0.4745102794665686
Energy: 0.47446624930201076
Energy: 0.5215840529065059
Energy: 0.47405458176114107
Energy: 0.47427846936233853
Energy: 0.521528060520614
Energy: 0.474426035049741
Energy: 0.5212548850359482
Energy: 0.5215352219105348
Energy: 0.5278160258809192
Energy: 0.5285793772528127
Energy: 0.5217509349264607
Energy: 0.5276765663852905
Energy: 0.5285052908032943
Energy: 0.644537286753059
Energy: 0.46473904205558675
Energy: 0.4644526300662556
Energy: 0.5593870267821861
Energy: 0.4643312322789374
Energy: 0.4542206981884607
Energy: 0.47231978348973264
Energy: 0.46510107142490575
Energy: 0.46444349129645507
Energy: 0.47278568680885896
Energy: 0.4670458085179171
Energy: 0.5225032069256161
Energy: 0.6274200149740621
Energy: 0.5678273040636351
Energy: 0.5651071101753169
Energy: 0.5679209777829518
Energy: 0.592749223339235
Energy: 0.5653178515457243
Energy: 0.46623679141073926
Energy: 0.5703018979156453
Energy: 0.5689950167988196
Energy: 0.467019977087352
Energy: 0.5363188432554153
Energy: 0.46517089082470314
Energy: 0.46434431848376667
Energy: 0.5197865708459155
Energy: 0.5194812286509569
Energy: 0.46434765787460697
Energy: 0.5197412325434044
Energy: 0.5197107348270423
Energy: 0.6066467024393208
Energy: 0.4944797596897637
Energy: 0.5272295465316781
Energy: 0.5936115189611251
Energy: 0.5218006845981388
Energy: 0.5285966230033862
Energy: 0.529308617988933
Energy: 0.5219200801483933
Energy: 0.5210692343297467
Energy: 0.5685334219090967
Energy: 0.5218512697300208
Energy: 0.5210777708330567
Energy: 0.5210786752724188
Energy: 0.5676426987187776
Energy: 0.5675726025546151
Energy: 0.4926649933093883
Energy: 0.6319693781274675
Energy: 0.5212704253724496
Energy: 0.5887789364080028
Energy: 0.5215161340828357
Energy: 0.5216211851261422
Energy: 0.5880252645597217
Energy: 0.5218304784457125
Energy: 0.5213159029906437
Energy: 0.5888418050661588
Energy: 0.5667665766945998
Energy: 0.5282474913149561
Energy: 0.5885227606885194
Energy: 0.5213751973138551
Energy: 0.5669211279138326
Energy: 0.6330377441920336
Energy: 0.5287397632224551
Energy: 0.521268047732103
Energy: 0.6320427862790021
Energy: 0.528816592563985
Energy: 0.5213946027944031
Energy: 0.519059161128646
Energy: 0.5687726126173949
Energy: 0.5675253046091219
Energy: 0.5392882155383709
Energy: 0.6326843941193877
Energy: 0.5675839051387556

minimum gb energy = 0.4542206981884607 eV
minimum distance =  2.61992488904231 Angstroms
sigma value = 17


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

Energy: 0.7528700156964012
Energy: 0.5922689453588565
Energy: 0.49025924287083006
Energy: 0.4870150957627938
Energy: 0.6015575295617638
Energy: 0.5021562670549738
Energy: 0.5869291444854672
Energy: 0.5308320552654779
Energy: 0.5306992860922375
Energy: 0.5444103322050928
Energy: 0.5326700316786958
Energy: 0.5281181861067074
Energy: 0.6191673227912339
Energy: 0.4457189759419684
Energy: 0.4832216867243038
Energy: 0.5871355916210154
Energy: 0.4455027254772566
Energy: 0.48315885753872895
Energy: 0.5335307643912783
Energy: 0.48314407648810065
Energy: 0.4832561139113163
Energy: 0.5341929517797954
Energy: 0.45639970397999824
Energy: 0.4831593535241157
Energy: 0.5296637472200244
Energy: 0.5354705419117505
Energy: 0.5292146795040441
Energy: 0.504626178684765
Energy: 0.5433043652357763
Energy: 0.5354990837461403
Energy: 0.6747824380456158
Energy: 0.4711322586270578
Energy: 0.44541207308965264
Energy: 0.47082125935654245
Energy: 0.4709561083122944
Energy: 0.4456511330679848
Energy: 0.5405298077849052
Energy: 0.4711185317234878
Energy: 0.47098812101145865
Energy: 0.5011991302200369
Energy: 0.474159757765171
Energy: 0.5095442189440835
Energy: 0.5827911095154279
Energy: 0.5217120918680027
Energy: 0.5160848376390689
Energy: 0.5611684284146378
Energy: 0.5226409627175022
Energy: 0.5028062185478712
Energy: 0.4495524257654249
Energy: 0.5220380550124968
Energy: 0.5002463188036955
Energy: 0.45106687298963544
Energy: 0.4981654573252393
Energy: 0.4473449942432697
Energy: 0.4474519766839953
Energy: 0.5331990804804916
Energy: 0.5339034098271402
Energy: 0.4479496439899569
Energy: 0.5351634129292353
Energy: 0.5336792206189935
Energy: 0.5352237170427931
Energy: 0.44761036815865624
Energy: 0.5336627255902321
Energy: 0.5338371507505169
Energy: 0.44748761528770126
Energy: 0.5338648988073963
Energy: 0.47919021444463816
Energy: 0.4473820145793017
Energy: 0.44757832655104635
Energy: 0.4786040950458888
Energy: 0.4503720166392092
Energy: 0.4915312575520747
Energy: 0.49485279824687084
Energy: 0.49033227610212987
Energy: 0.4900300392060688
Energy: 0.5348449736401963
Energy: 0.5580363210942109
Energy: 0.49093903088098567
Energy: 0.47024034493455497
Energy: 0.5485369532310631
Energy: 0.5491307026324105
Energy: 0.4711451324444701
Energy: 0.5588754259607597
Energy: 0.4693462975669889
Energy: 0.46935674802470756
Energy: 0.4820411005153453
Energy: 0.49341835652564997
Energy: 0.46943841672275616
Energy: 0.48204228651264336
Energy: 0.4932361675089967
Energy: 0.5862176608766434
Energy: 0.5300845171490679
Energy: 0.4930943695852512
Energy: 0.5468487818958273
Energy: 0.5300234793487676
Energy: 0.492867531497387
Energy: 0.44756891110792935
Energy: 0.529905255690273
Energy: 0.5301947995716504
Energy: 0.4502276811662345
Energy: 0.5300397108899138
Energy: 0.4622135839111864
Energy: 0.47687860938863785
Energy: 0.568405887453577
Energy: 0.5332096733315271
Energy: 0.47579907269179256
Energy: 0.5911838154350448
Energy: 0.46261356302119155
Energy: 0.5892520437481447
Energy: 0.533018900203515
Energy: 0.49142814300459664
Energy: 0.5454782953364602
Energy: 0.5422183173009667
Energy: 0.49154954178539934
Energy: 0.6932548359407777
Energy: 0.5187307596036802
Energy: 0.5195950127661763
Energy: 0.6744776143798739
Energy: 0.46278389810146064
Energy: 0.5359987503923616
Energy: 0.5995382619545849
Energy: 0.5365819533650599
Energy: 0.5363990151434289
Energy: 0.5731291385099165
Energy: 0.5389397127669822
Energy: 0.5328855087182051
Energy: 0.5050406789337027
Energy: 0.5749474672937585
Energy: 0.5857176740403347
Energy: 0.4680687321452934
Energy: 0.575175615699278
Energy: 0.4681081398092392
Energy: 0.5152707918167935
Energy: 0.539675692148371
Energy: 0.5397626285378044
Energy: 0.5163630266488028
Energy: 0.5386986182946021
Energy: 0.5499006284106868
Energy: 0.6008318808198335
Energy: 0.5322701637347945
Energy: 0.5159622031784574
Energy: 0.5701126528636851
Energy: 0.5184524651091946
Energy: 0.5159798135360185
Energy: 0.5303333768158078
Energy: 0.445634853092979
Energy: 0.48331103750456694
Energy: 0.5302857128464896
Energy: 0.4454868733137342
Energy: 0.4831714146779024
Energy: 0.5343996380017586
Energy: 0.5347245599869159
Energy: 0.5562621274456686
Energy: 0.4924910996117504
Energy: 0.5327507167791324
Energy: 0.4917881186829622
Energy: 0.48298594501329933
Energy: 0.5330312847726536
Energy: 0.4756961270456764
Energy: 0.5191830614819763
Energy: 0.5651528938150941
Energy: 0.44585331647924764
Energy: 0.44161661797845714
Energy: 0.47330791137100436
Energy: 0.47260920894677216
Energy: 0.4417544738922376
Energy: 0.4756504481805984
Energy: 0.47261680634748215
Energy: 0.5856871389064887
Energy: 0.5371844453110067
Energy: 0.5236381383638513
Energy: 0.5229497384708146
Energy: 0.4725804925191956
Energy: 0.5243445700654797
Energy: 0.44754944852674156
Energy: 0.5216177573122631
Energy: 0.5212037645483545
Energy: 0.4475628710129786
Energy: 0.5225610538274776
Energy: 0.5221637259266064
Energy: 0.4511869181334608
Energy: 0.5344106957072805
Energy: 0.5325063400388159
Energy: 0.4511006367061703
Energy: 0.5343532309262218
Energy: 0.49037325690730765
Energy: 0.6046867020407616
Energy: 0.5323776343612079
Energy: 0.530487750997063
Energy: 0.5651864088825307
Energy: 0.5378311664256068
Energy: 0.5293799593820459
Energy: 0.5939796650436893
Energy: 0.44814738378108526
Energy: 0.447364458802895
Energy: 0.5941893535792624
Energy: 0.44975160183799817
Energy: 0.4474495837380943
Energy: 0.6484504317020154
Energy: 0.4929503699685985
Energy: 0.4938468525508629
Energy: 0.48944324173254616
Energy: 0.4685504153050556
Energy: 0.49187163768421105
Energy: 0.4693528702588643
Energy: 0.5464646455480155
Energy: 0.546237119744709
Energy: 0.46970543627204586
Energy: 0.5466727724137587
Energy: 0.5469279706085484
Energy: 0.46910054882303215
Energy: 0.4815620018693909
Energy: 0.49490994827320595
Energy: 0.4694813922443672
Energy: 0.48642854045256917
Energy: 0.46996278859222546
Energy: 0.5814063899238094
Energy: 0.4997424304336113
Energy: 0.4954561469497957
Energy: 0.5591817077749266
Energy: 0.5285400856095125
Energy: 0.4955161175033829
Energy: 0.5410834476221785
Energy: 0.5289503588145394
Energy: 0.5286772358280265
Energy: 0.5534116638951084
Energy: 0.5308551252169241
Energy: 0.5286143033177311
Energy: 0.7120923815164606
Energy: 0.5977699631020026
Energy: 0.4628263563864404
Energy: 0.46305690665692123
Energy: 0.5896511543914302
Energy: 0.4628237943459641
Energy: 0.5837116452858284
Energy: 0.5351618109310089
Energy: 0.5278190439503903
Energy: 0.5716006743469387
Energy: 0.5631782929055299
Energy: 0.5523693673606704
Energy: 0.5848045595158056
Energy: 0.4622705454870056
Energy: 0.5243612786409729
Energy: 0.5847564092538972
Energy: 0.46259622515485194
Energy: 0.5242715596812005
Energy: 0.6183711954287049
Energy: 0.5001257584666888
Energy: 0.5246819901856331
Energy: 0.5866564458956074
Energy: 0.5521333600494107
Energy: 0.5081949747703444
Energy: 0.5196116791875411
Energy: 0.5698312165997171
Energy: 0.5308224898272652
Energy: 0.502505556740003
Energy: 0.5676438859571145
Energy: 0.5317632823612354

minimum gb energy = 0.44161661797845714 eV
minimum distance =  2.61131773863154 Angstroms
sigma value = 57


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

Energy: 0.6714530939063295
Energy: 0.5438927838940558
Energy: 0.4751878851351542
Energy: 0.4392072146944927
Energy: 0.6697187805883963
Energy: 0.4747258489086401
Energy: 0.54393662969387
Energy: 0.49630275347959407
Energy: 0.4980969740693722
Energy: 0.4980217014228118
Energy: 0.5259983770120554
Energy: 0.49217359398946575
Energy: 0.5652088059846813
Energy: 0.42250624520040897
Energy: 0.42274444886947427
Energy: 0.5661954760622615
Energy: 0.4229199874758374
Energy: 0.4560859424154826
Energy: 0.4954853737419394
Energy: 0.4227224501508942
Energy: 0.45633069501290663
Energy: 0.4954822471608888
Energy: 0.5502985738799632
Energy: 0.45613882089868074
Energy: 0.5102284925702697
Energy: 0.4915390931585316
Energy: 0.49276839377871207
Energy: 0.5103859993679769
Energy: 0.527088244513468
Energy: 0.49451376463134256
Energy: 0.6201014886914142
Energy: 0.44023979858688905
Energy: 0.42248751895757164
Energy: 0.48737777634793134
Energy: 0.44016241935582856
Energy: 0.42262095226503094
Energy: 0.5649980975796349
Energy: 0.44518389986034246
Energy: 0.4403377365273568
Energy: 0.5376901199334372
Energy: 0.44326442603771876
Energy: 0.4799918132144649
Energy: 0.5347370887910944
Energy: 0.4884804887774948
Energy: 0.49375673454452984
Energy: 0.535550697286775
Energy: 0.4887115038593239
Energy: 0.4152808534084961
Energy: 0.41525536909826394
Energy: 0.49650405304555834
Energy: 0.4139144810747035
Energy: 0.41615273408436276
Energy: 0.5450512937172581
Energy: 0.41380879779927837
Energy: 0.4140804234803627
Energy: 0.49523084606550266
Energy: 0.49968202041670284
Energy: 0.41392529912389914
Energy: 0.4949454374674103
Energy: 0.49661410147641427
Energy: 0.40345745697769075
Energy: 0.4010591556896833
Energy: 0.4883190933911399
Energy: 0.48389152176071054
Energy: 0.4099003859719972
Energy: 0.48874474481274005
Energy: 0.5408882788092857
Energy: 0.4063803187185014
Energy: 0.4008641891655722
Energy: 0.5414942821577743
Energy: 0.405544549276524
Energy: 0.48826651894675904
Energy: 0.5357048251078801
Energy: 0.48681497552116476
Energy: 0.4850698946137282
Energy: 0.4748155971461181
Energy: 0.48496103413614206
Energy: 0.485017758265447
Energy: 0.40138044549085933
Energy: 0.48673011293840884
Energy: 0.4008957583906336
Energy: 0.40234575236972664
Energy: 0.5405279705493509
Energy: 0.400929598221138
Energy: 0.4013116020471983
Energy: 0.487495543408144
Energy: 0.4539557425465826
Energy: 0.40092872629487997
Energy: 0.48716375535406514
Energy: 0.4530385822742195
Energy: 0.5347338128225411
Energy: 0.4138242309715744
Energy: 0.49523707901115593
Energy: 0.4956811306189593
Energy: 0.414074018903644
Energy: 0.49377009202723
Energy: 0.42256480735836005
Energy: 0.41378927193616727
Energy: 0.4136811649891394
Energy: 0.5180453349684472
Energy: 0.41844675253980274
Energy: 0.45869414424918403
Energy: 0.4879711828381023
Energy: 0.45955673644182116
Energy: 0.4607706685623844
Energy: 0.4878594998725519
Energy: 0.5239689666764746
Energy: 0.4617149344797899
Energy: 0.4400551633717765
Energy: 0.5150275932850545
Energy: 0.44046200095605414
Energy: 0.4412240279662709
Energy: 0.5674084177123814
Energy: 0.4402955293843867
Energy: 0.5464311772939606
Energy: 0.45906354811415395
Energy: 0.4683261507867325
Energy: 0.546926862032122
Energy: 0.4587244897425264
Energy: 0.4918203118398342
Energy: 0.5428829100453202
Energy: 0.4981217189717438
Energy: 0.49254149216144555
Energy: 0.5338078490881141
Energy: 0.49633460260082807
Energy: 0.4951150654701734
Energy: 0.4371946346761543
Energy: 0.4924764670859987
Energy: 0.4703840973051637
Energy: 0.45925163738944264
Energy: 0.49729688752135415
Energy: 0.4399557935147408
Energy: 0.44687135371998193
Energy: 0.5248179651632806
Energy: 0.492203544311814
Energy: 0.44729177498003725
Energy: 0.5658732879280658
Energy: 0.49223636157936324
Energy: 0.5362235496704488
Energy: 0.4408115176774468
Energy: 0.4904819358150179
Energy: 0.5370875794501245
Energy: 0.5280493019557456
Energy: 0.4921942950598492
Energy: 0.5689625832306443
Energy: 0.4396794730901267
Energy: 0.4399662926683759
Energy: 0.5697539409250665
Energy: 0.4404891923962725
Energy: 0.49226972527077056
Energy: 0.5694978887774896
Energy: 0.4981183016839601
Energy: 0.49255535221007374
Energy: 0.5710614498506489
Energy: 0.5268152758074895
Energy: 0.4923254342822805
Energy: 0.4558674108447792
Energy: 0.5674942826784305
Energy: 0.4562511992801894
Energy: 0.4231807665276155
Energy: 0.5692198854646362
Energy: 0.45600439398303955

minimum gb energy = 0.4008641891655722 eV
minimum distance =  2.61904160035397 Angstroms
sigma value = 43


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

Energy: 0.6155436043615524
Energy: 0.4919361602011103
Energy: 0.4361827711360122
Energy: 0.38878336909823547
Energy: 0.5417916949473973
Energy: 0.4077913211472273
Energy: 0.4796627574846752
Energy: 0.4420873217153065
Energy: 0.4419868381625847
Energy: 0.4420956428664391
Energy: 0.46605410890038873
Energy: 0.4398641612487605
Energy: 0.49660287113397183
Energy: 0.36590862727774887
Energy: 0.3883295177961389
Energy: 0.49692703249377906
Energy: 0.3671494181810099
Energy: 0.3858535460870164
Energy: 0.4438525537568208
Energy: 0.3891992049323729
Energy: 0.38638271938725915
Energy: 0.44464038646937065
Energy: 0.42942823141535796
Energy: 0.4145712804767178
Energy: 0.4481828058397124
Energy: 0.4006631636981283
Energy: 0.4005286816862404
Energy: 0.4480647256986845
Energy: 0.4647555673890256
Energy: 0.4296694845709868
Energy: 0.36572895468549416
Energy: 0.4005953602580658
Energy: 0.3858751167508672
Energy: 0.4232646805709436
Energy: 0.40057495777128455
Energy: 0.3681826813231334
Energy: 0.47715303778505014
Energy: 0.4006149628905743
Energy: 0.4006047212562993
Energy: 0.4370112195849324
Energy: 0.4035214785378574
Energy: 0.400778512748004
Energy: 0.47060287283529934
Energy: 0.4198882337379744
Energy: 0.42822212182241703
Energy: 0.47134576206911627
Energy: 0.4198544842118768
Energy: 0.3683992287300061
Energy: 0.3772187599419558
Energy: 0.42850353557031834
Energy: 0.3761355457830682
Energy: 0.3781277414505731
Energy: 0.4696032731597497
Energy: 0.3762394109786013
Energy: 0.3658954221999521
Energy: 0.39592437654308543
Energy: 0.43868119365347336
Energy: 0.37602749457593926
Energy: 0.3617785780584937
Energy: 0.4406225536169114
Energy: 0.35552267846072
Energy: 0.35956639499050946
Energy: 0.39475038641368665
Energy: 0.41470723839621254
Energy: 0.3596031113133035
Energy: 0.4192398031961455
Energy: 0.4665016296617803
Energy: 0.3594856913119373
Energy: 0.35953498270847783
Energy: 0.467463478802417
Energy: 0.3595665132079773
Energy: 0.42860412706136386
Energy: 0.4592046324747265
Energy: 0.41427108100308035
Energy: 0.4172753628823476
Energy: 0.46012697582116696
Energy: 0.4139031915598386
Energy: 0.4166043239136012
Energy: 0.3494248027935517
Energy: 0.4470416443031893
Energy: 0.34907064412996985
Energy: 0.3505402997065703
Energy: 0.46183068153829127
Energy: 0.3490381774018485
Energy: 0.34890657632399913
Energy: 0.4174954127082659
Energy: 0.41877749785980267
Energy: 0.3489519740630453
Energy: 0.4178294185614158
Energy: 0.41869406935809506
Energy: 0.4037383789736972
Energy: 0.34421238973973844
Energy: 0.3439841923731826
Energy: 0.41367523271794104
Energy: 0.3442098516806362
Energy: 0.41394371357280946
Energy: 0.45988609703910466
Energy: 0.3441575900791887
Energy: 0.34414173989731306
Energy: 0.4591075038031094
Energy: 0.34413960170856644
Energy: 0.41387189846529493
Energy: 0.459346235143768
Energy: 0.41391932879767973
Energy: 0.41679816650508766
Energy: 0.4603560858367723
Energy: 0.41302738395991073
Energy: 0.4136412751425392
Energy: 0.3440036671403691
Energy: 0.4591530624361191
Energy: 0.3442788653446494
Energy: 0.3452117392965578
Energy: 0.46109523885930714
Energy: 0.34404133185527075
Energy: 0.4576486848759457
Energy: 0.41446474027441105
Energy: 0.42052326586835864
Energy: 0.4587317015988318
Energy: 0.4134729178665408
Energy: 0.41857785011817444
Energy: 0.4632719875544954
Energy: 0.34913198858010847
Energy: 0.34919459643354084
Energy: 0.44363985640884285
Energy: 0.3492593939912486
Energy: 0.4201356336751221
Energy: 0.34587944335684584
Energy: 0.3491555459337528
Energy: 0.34882188817375637
Energy: 0.41687945402032783
Energy: 0.34919773395206466
Energy: 0.4174814398023265
Energy: 0.3592980508300149
Energy: 0.3871460832853943
Energy: 0.4229304265177806
Energy: 0.35932941706492655
Energy: 0.4196973958139006
Energy: 0.4233916589841046
Energy: 0.3597901161813558
Energy: 0.46634196292650665
Energy: 0.35951771233937624
Energy: 0.36080278853291686
Energy: 0.46683395602457955
Energy: 0.3596546647460499
Energy: 0.46293653573998755
Energy: 0.41689626392140516
Energy: 0.42432274973236245
Energy: 0.46400331979855736
Energy: 0.4171141438521573
Energy: 0.39604770588943106
Energy: 0.4760176867266787
Energy: 0.37619669067561984
Energy: 0.37616791921743276
Energy: 0.4583281755525996
Energy: 0.3764194170074372
Energy: 0.43557717660507367
Energy: 0.3598548594651104
Energy: 0.3762015171485699
Energy: 0.37675951555217574
Energy: 0.41808420525592876
Energy: 0.3762086104242789
Energy: 0.4253713554784002
Energy: 0.39042113674460516
Energy: 0.3765377144032078
Energy: 0.41683406281641605
Energy: 0.400368943432918
Energy: 0.4189238713931603
Energy: 0.41661599335542393
Energy: 0.4015404938866203
Energy: 0.4088089406130878
Energy: 0.40057261314714226
Energy: 0.40241084801303345
Energy: 0.4755046935439553
Energy: 0.4006440680075451
Energy: 0.4780984613816552
Energy: 0.4267182354233923
Energy: 0.4094398469932224
Energy: 0.4786716442823232
Energy: 0.42665374100569975
Energy: 0.37630925665807696
Energy: 0.47622776630703756
Energy: 0.44202534703640234
Energy: 0.4417575882862108
Energy: 0.4009136727252426
Energy: 0.44294088705414014
Energy: 0.4409109314271524
Energy: 0.3773305871983449
Energy: 0.44194272745166885
Energy: 0.4235334048535485
Energy: 0.3962799005226422
Energy: 0.44179070890586947
Energy: 0.37599970534948646
Energy: 0.4438070983812939
Energy: 0.44176070973070075
Energy: 0.44177759760123825
Energy: 0.44386559872679104
Energy: 0.4960030285087104
Energy: 0.4416979007137996
Energy: 0.47543128871873785
Energy: 0.40070029035737637
Energy: 0.4006261523484856
Energy: 0.4763650375497682
Energy: 0.44401676431400766
Energy: 0.44176516612117206
Energy: 0.49661730695610706
Energy: 0.37678610923808736
Energy: 0.4011987314114664
Energy: 0.49770295009876064
Energy: 0.3776889088668189
Energy: 0.4007110710992683
Energy: 0.4796624470428622
Energy: 0.4417848092993075
Energy: 0.44172157136260387
Energy: 0.47435988732900347
Energy: 0.4878525646390348
Energy: 0.4416073102195449

minimum gb energy = 0.3439841923731826 eV
minimum distance =  2.59760929651594 Angstroms
sigma value = 81


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

Energy: 0.1610222483447366
Energy: 0.18320665629900462
Energy: 0.08379760201175382
Energy: 0.08492017654855757
Energy: 0.2807736543464046
Energy: 0.16107197975998425
Energy: 0.1840674730139613
Energy: 0.24801688438721314
Energy: 0.24849034152251698
Energy: 0.2892523455420773
Energy: 0.24841242358983817
Energy: 0.24527803320344352
Energy: 0.2646534238484096
Energy: 0.08367216642753132
Energy: 0.0836977967637487
Energy: 0.28603414051984827
Energy: 0.08367786738128045
Energy: 0.0837613328952004
Energy: 0.25565726884842693
Energy: 0.08369548736153219
Energy: 0.08377346600811648
Energy: 0.25411018663115736
Energy: 0.08380755203829496
Energy: 0.10770523264177331
Energy: 0.10723922523715314
Energy: 0.26784883858737324
Energy: 0.26761668419276086
Energy: 0.10800595127076912
Energy: 0.26727698419824486
Energy: 0.2680319676862652
Energy: 0.084064118589487
Energy: 0.2444591866669012
Energy: 0.08382029586019808
Energy: 0.08520088889045978
Energy: 0.16069523491864451
Energy: 0.08367493457837975
Energy: 0.2761418762831055
Energy: 0.24562064883112375
Energy: 0.24437421830447928
Energy: 0.27328454809455177
Energy: 0.24436683821319757
Energy: 0.24457925446780945
Energy: 0.27668060117791204
Energy: 0.08373678668694497
Energy: 0.08379739458589115
Energy: 0.27514888315147484
Energy: 0.08359394735554007
Energy: 0.0838150018679542
Energy: 0.2426133196798789
Energy: 0.0837872585965837
Energy: 0.10832886839709788
Energy: 0.2659571721995449
Energy: 0.0836576791010701
Energy: 0.1087016866552944
Energy: 0.16101347851548214
Energy: 0.2698468161804966
Energy: 0.27197198707875436
Energy: 0.08376770716826198
Energy: 0.2722199964062867
Energy: 0.26978191089976955

minimum gb energy = 0.08359394735554007 eV
minimum distance =  2.76490020154165 Angstroms
sigma value = 3


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

Energy: 0.515658414295692
Energy: 0.4878177353338142
Energy: 0.5011440824776956
Energy: 0.47200046081624836
Energy: 0.47330076745368826
Energy: 0.4723982805717183
Energy: 0.46316969107815503
Energy: 0.4708706546111542
Energy: 0.4701215526650582
Energy: 0.4790136122025395
Energy: 0.4710612153358539
Energy: 0.4650729876777104
Energy: 0.48087634482635094
Energy: 0.46640141118790923
Energy: 0.46513218608246243
Energy: 0.4807063728935459
Energy: 0.4119584871374581
Energy: 0.4767730699135244
Energy: 0.4505495086721032
Energy: 0.4650432459540064
Energy: 0.46516838882082856
Energy: 0.45161746637876693
Energy: 0.4100617910933721
Energy: 0.47690379676062666
Energy: 0.4105089687024633
Energy: 0.47018447480718517
Energy: 0.4767816002591958
Energy: 0.41073401745365434
Energy: 0.4706915249707654
Energy: 0.4760294991490355
Energy: 0.4501469582948718
Energy: 0.4659956683244728
Energy: 0.46704566796731634
Energy: 0.44804385812003134
Energy: 0.46538932879227785
Energy: 0.445696979493454
Energy: 0.4448428882580407
Energy: 0.43784597949530957
Energy: 0.4396497878163362
Energy: 0.4447033729009605
Energy: 0.41085255886450217
Energy: 0.4475108527462398
Energy: 0.4506366681910852
Energy: 0.4460228852942791
Energy: 0.4460539744955578
Energy: 0.45052558428738093
Energy: 0.4365315168660834
Energy: 0.42424715391347256
Energy: 0.44627182366644413
Energy: 0.4444482816709184
Energy: 0.46587674313048755
Energy: 0.4537720723558935
Energy: 0.4201175389788971
Energy: 0.46598047387140057
Energy: 0.3862138136210226
Energy: 0.41113677205994714
Energy: 0.4110753461654997
Energy: 0.3864005345210928
Energy: 0.41267672363620517
Energy: 0.41087824228815756
Energy: 0.43483570419466894
Energy: 0.4477191619071009
Energy: 0.4441871232645579
Energy: 0.4369937035058566
Energy: 0.4567588093332546
Energy: 0.4369554252299332
Energy: 0.387743389119486
Energy: 0.44462562818166645
Energy: 0.44551312995545655
Energy: 0.38734714306580326
Energy: 0.4338130308606598
Energy: 0.38687328022963957
Energy: 0.3862219982214129
Energy: 0.43046837301437135
Energy: 0.43595473606795637
Energy: 0.3862137102680026
Energy: 0.4303831192402017
Energy: 0.3861306788710166
Energy: 0.4296343751574563
Energy: 0.4399251521198561
Energy: 0.43356219316166245
Energy: 0.4335194912715661
Energy: 0.4404107872936206
Energy: 0.43398423317543444
Energy: 0.4289732084008157
Energy: 0.37161967643544325
Energy: 0.3713901517626114
Energy: 0.42666038155793956
Energy: 0.37291928152406406
Energy: 0.3714633614946645
Energy: 0.42629793914875463
Energy: 0.43135591079208724
Energy: 0.43083409994500704
Energy: 0.4264918362780314
Energy: 0.42583590783438185
Energy: 0.4313563915463346
Energy: 0.36455064163238615
Energy: 0.42856154349783404
Energy: 0.42761137527076076
Energy: 0.3645689719405059
Energy: 0.42867682086080033
Energy: 0.3645315140342696
Energy: 0.36649018976036685
Energy: 0.42702836289930907
Energy: 0.4291731838619273
Energy: 0.3664020866518343
Energy: 0.42692355502864154
Energy: 0.4393868448802403
Energy: 0.438845016044429
Energy: 0.4362534026273258
Energy: 0.4278395648698852
Energy: 0.42684148410898715
Energy: 0.437824272533699
Energy: 0.428770931137701
Energy: 0.422718234506625
Energy: 0.3646165944366213
Energy: 0.3645001278932332
Energy: 0.42370256238017695
Energy: 0.36457108614098716
Energy: 0.3643320727014538
Energy: 0.4243244526117039
Energy: 0.42897904286358823
Energy: 0.4308569483366044
Energy: 0.4248043347558322
Energy: 0.4266698667860894
Energy: 0.4294108636825095
Energy: 0.37287462343215955
Energy: 0.42966917444667363
Energy: 0.40137883480215225
Energy: 0.37367277166336105
Energy: 0.4266496494798524
Energy: 0.3713556341670388
Energy: 0.3727117813645408
Energy: 0.43446920017021134
Energy: 0.4346355574332365
Energy: 0.3726692235674109
Energy: 0.43312936632664584
Energy: 0.4333033571394299
Energy: 0.4289381720382927
Energy: 0.38638035673170035
Energy: 0.38647633412974447
Energy: 0.4332607729046966
Energy: 0.3862208698642976
Energy: 0.4318134206663546
Energy: 0.43724285836221877
Energy: 0.3863882727155576
Energy: 0.3865685081299491
Energy: 0.43747453693042454
Energy: 0.3865945447283819
Energy: 0.38668567034900714
Energy: 0.43463532045649494
Energy: 0.4393559192376264
Energy: 0.4391913563670092
Energy: 0.43456759215084617
Energy: 0.4372194470239626
Energy: 0.4477026026125285
Energy: 0.41124656332854187
Energy: 0.43729244843482296
Energy: 0.439235818658394
Energy: 0.41205028033145796
Energy: 0.44205765726920837
Energy: 0.41106530916650624
Energy: 0.3963164088098687
Energy: 0.45388882978590434
Energy: 0.4533687557110637
Energy: 0.3962594819568321
Energy: 0.45304362984912644
Energy: 0.4528732827343248
Energy: 0.4398896734285611
Energy: 0.45056794521952076
Energy: 0.4411406490640217
Energy: 0.44042523424002555
Energy: 0.4506501015112602
Energy: 0.4393172990717955
Energy: 0.4446531050117312
Energy: 0.44351888720025123
Energy: 0.43964607076984613
Energy: 0.44470986263694173
Energy: 0.44518548619545606
Energy: 0.45076252558573876
Energy: 0.44101372796134786
Energy: 0.45375263897282986
Energy: 0.4512877032495961
Energy: 0.4414443341949992
Energy: 0.4395939839898517
Energy: 0.45095948833244637
Energy: 0.4863332779121012
Energy: 0.4510025872843237
Energy: 0.47714675780696575
Energy: 0.4859585697158198
Energy: 0.4296685187132834
Energy: 0.47762698470366133
Energy: 0.42457505606636414
Energy: 0.4505541681238556
Energy: 0.45031285388180564
Energy: 0.42459562428764575
Energy: 0.4521142178954641
Energy: 0.4735435373190872

minimum gb energy = 0.3643320727014538 eV
minimum distance =  2.66860433212937 Angstroms
sigma value = 67


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

Energy: 0.5455794971870136
Energy: 0.630819875564413
Energy: 0.5575815293558025
Energy: 0.5464024298053498
Energy: 0.746788860673169
Energy: 0.5598210848288142
Energy: 0.5291740808739893
Energy: 0.5477506886253702
Energy: 0.5401449737568851
Energy: 0.5552489561433214
Energy: 0.5436054301954913
Energy: 0.5359280636756115
Energy: 0.5573708475653613
Energy: 0.5299062837187136
Energy: 0.5476192634815091
Energy: 0.5579948997001158
Energy: 0.5419959461610545
Energy: 0.5478719505409454
Energy: 0.53241142955167
Energy: 0.5476338067812073
Energy: 0.5476572868105838
Energy: 0.4996352254447396
Energy: 0.5063659960200743
Energy: 0.5477739692415464
Energy: 0.499792350822943
Energy: 0.5441892556682674
Energy: 0.5482393440403039
Energy: 0.4998642269240942
Energy: 0.5680235236282257
Energy: 0.5481477189677144
Energy: 0.5120780441599542
Energy: 0.560009390441267
Energy: 0.5251900251571651
Energy: 0.529708318860023
Energy: 0.5869234674041965
Energy: 0.5301136861843604
Energy: 0.503362253961553
Energy: 0.509498290190149
Energy: 0.5084793243321822
Energy: 0.5022063945385782
Energy: 0.4971315184561117
Energy: 0.5065343732373234
Energy: 0.5020902970520009
Energy: 0.5117229093923816
Energy: 0.5124230739782377
Energy: 0.5028441230423965
Energy: 0.509860417120975
Energy: 0.5071908955982539
Energy: 0.5107209230746067
Energy: 0.5299889517254867
Energy: 0.5337289954833012
Energy: 0.5193875454925337
Energy: 0.45723977953965067
Energy: 0.5327292549311488
Energy: 0.5115348751419576
Energy: 0.4567847840735996
Energy: 0.4536661998285984
Energy: 0.5120213538048232
Energy: 0.45516388884482173
Energy: 0.453395575167041
Energy: 0.4758482256212654
Energy: 0.5151030931672476
Energy: 0.5125203430545598
Energy: 0.5103357965413524
Energy: 0.5153714902866258
Energy: 0.5137146930118267
Energy: 0.4331140304488594
Energy: 0.5107844816898003
Energy: 0.5098870086836966
Energy: 0.4331393440837222
Energy: 0.5063114261279331
Energy: 0.4333805089346515
Energy: 0.4334367153344041
Energy: 0.508931212029903
Energy: 0.5083882616341462
Energy: 0.4330708639135569
Energy: 0.5119180765386918
Energy: 0.4331871010700767
Energy: 0.4985330506117647
Energy: 0.5086947425257144
Energy: 0.5063137596322635
Energy: 0.5055292685478023
Energy: 0.5071648255716755
Energy: 0.5062044809487024
Energy: 0.49657531641827174
Energy: 0.43590078572443225
Energy: 0.43312131422257866
Energy: 0.49744679477887976
Energy: 0.4350549056866049
Energy: 0.43317004058006836
Energy: 0.49701270657639834
Energy: 0.5145693152643968
Energy: 0.5122601257242484
Energy: 0.5129148696175048
Energy: 0.4731338600524526
Energy: 0.5107320698968013
Energy: 0.45601034610861724
Energy: 0.5090977024513985
Energy: 0.5072681223705577
Energy: 0.45565257709340823
Energy: 0.503469766959655
Energy: 0.45372841843506917
Energy: 0.4569336301865971
Energy: 0.5289182308061929
Energy: 0.5302766459535762
Energy: 0.45453730841424794
Energy: 0.5128771786710385
Energy: 0.4997837726863586
Energy: 0.516353994581569
Energy: 0.5384693682809834
Energy: 0.515991356657243
Energy: 0.5164708392582112
Energy: 0.5409383956981809
Energy: 0.5161737911236137
Energy: 0.4996177391744924
Energy: 0.5018278839220688
Energy: 0.508746101126651
Energy: 0.49841852009178167
Energy: 0.49991962603561974
Energy: 0.5073124525291564
Energy: 0.5451092574213056
Energy: 0.5423082351188213
Energy: 0.5426923431626959
Energy: 0.5456235628791216
Energy: 0.48158359138863194
Energy: 0.5486088069795103
Energy: 0.5570128633963355
Energy: 0.5147992878614687
Energy: 0.542600148185851
Energy: 0.5577548466430009
Energy: 0.5266704117100923
Energy: 0.5426786870309153
Energy: 0.529097482827765
Energy: 0.5052472382807037
Energy: 0.5405172894665935
Energy: 0.5291522596824918
Energy: 0.5044575074193777
Energy: 0.5359148129641201

minimum gb energy = 0.4330708639135569 eV
minimum distance =  2.6531336872144 Angstroms
sigma value = 33


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

Energy: 0.7142899013242182
Energy: 0.6670957880416218
Energy: 0.6105838776399036
Energy: 0.7171151314721996
Energy: 0.6519566137244208
Energy: 0.5906512651302384
Energy: 0.5481480460330892
Energy: 0.570667935137381
Energy: 0.5707441880690874
Energy: 0.5912997033705105
Energy: 0.5911174100818031
Energy: 0.5712685330333613
Energy: 0.5902910444659345
Energy: 0.5823870758973001
Energy: 0.5822031861262054
Energy: 0.5907412469152247
Energy: 0.5770265573056961
Energy: 0.5698084659703974
Energy: 0.5171987898890491
Energy: 0.5822905890333214
Energy: 0.5821048383211457
Energy: 0.5173701632452193
Energy: 0.5206546904882887
Energy: 0.5824690989691063
Energy: 0.5174097447718976
Energy: 0.5708481741973644
Energy: 0.5707033669638231
Energy: 0.5174285216566032
Energy: 0.5907289491297929
Energy: 0.5832911520147726
Energy: 0.5771960099547201
Energy: 0.6056392160079814
Energy: 0.6023324320021213
Energy: 0.5830416229261426
Energy: 0.6207607435597121
Energy: 0.5618360899259117
Energy: 0.5173528102763558
Energy: 0.535434935500266
Energy: 0.5855379379016266
Energy: 0.5172753632626292
Energy: 0.5251395643795248
Energy: 0.5159975699134964
Energy: 0.5181671600552008
Energy: 0.5622745764326941
Energy: 0.5621281141150279
Energy: 0.5181959678885834
Energy: 0.5618869977592548
Energy: 0.5170404838802717
Energy: 0.5491998444766566
Energy: 0.5620398581619833
Energy: 0.5646536761444918
Energy: 0.5615945544833767
Energy: 0.47487211395776446
Energy: 0.5623270993470038
Energy: 0.5433825097572765
Energy: 0.47509077113779735
Energy: 0.47521804219142716
Energy: 0.5442747986849515
Energy: 0.47555040278349026
Energy: 0.475095610001696
Energy: 0.5443819888160493
Energy: 0.5398688023409924
Energy: 0.5514156351275844
Energy: 0.549609445344475
Energy: 0.5422278044249941
Energy: 0.5507824475402847
Energy: 0.47485166971829884
Energy: 0.5493532338108205
Energy: 0.5549101569683814
Energy: 0.47492724188189833
Energy: 0.5452912455666971
Energy: 0.4751517454967407
Energy: 0.47513916540935014
Energy: 0.5662446133852488
Energy: 0.5667550068483147
Energy: 0.4751746059505248
Energy: 0.5449353786093495
Energy: 0.4749230401296141
Energy: 0.5490513396773914
Energy: 0.5628097716778937
Energy: 0.562567423976206
Energy: 0.554912979586102
Energy: 0.5636280617227495
Energy: 0.5483383080100467
Energy: 0.545429348118284
Energy: 0.5172474945620924
Energy: 0.5169423751935822
Energy: 0.542972516317892
Energy: 0.5179567105788411
Energy: 0.5300691035477247
Energy: 0.5189131337655917
Energy: 0.5732805608167224
Energy: 0.5732161686936647
Energy: 0.5306019097262246
Energy: 0.48392018631157546
Energy: 0.5833011346564797
Energy: 0.5889362166941875
Energy: 0.5732607309197942
Energy: 0.5731192175530488
Energy: 0.5893558049464886
Energy: 0.5729134708065916
Energy: 0.562781671607412
Energy: 0.5890899596469713
Energy: 0.5707316129879795
Energy: 0.571318626880727
Energy: 0.5892322474782155
Energy: 0.5174067009730352
Energy: 0.5692969958932643
Energy: 0.6032606801620258
Energy: 0.5764450185508032
Energy: 0.6081620469882564
Energy: 0.5980553211334542
Energy: 0.6053829547250242
Energy: 0.5622205640871585
Energy: 0.5481268529794686
Energy: 0.5708737683242714
Energy: 0.5706832203471721
Energy: 0.5480455428422617
Energy: 0.5906992869309009
Energy: 0.5708595998960113
Energy: 0.5893631480012965
Energy: 0.5824397105225443
Energy: 0.5823995483281608
Energy: 0.5898759505389886
Energy: 0.5206922484562235
Energy: 0.5695925704490074
Energy: 0.5574446852044135
Energy: 0.5823294770814782
Energy: 0.582085197041196
Energy: 0.5577976374471422
Energy: 0.5777711730807282
Energy: 0.5823296335891958
Energy: 0.5174140862819953
Energy: 0.5707042335202946
Energy: 0.5688538688556344
Energy: 0.5172920570128461
Energy: 0.5914513777679437
Energy: 0.5830147702044897
Energy: 0.5766104318057222
Energy: 0.6194914437946251
Energy: 0.605242567615823
Energy: 0.5768634118273739
Energy: 0.6196867729377238
Energy: 0.5505763590387027
Energy: 0.5171894080755213
Energy: 0.5861335362754723
Energy: 0.5845449032441038
Energy: 0.5170763604272743
Energy: 0.5740566390770161
Energy: 0.585079332170866
Energy: 0.5168764230831896
Energy: 0.5624269702957555
Energy: 0.5621350377556417
Energy: 0.5175904268023082
Energy: 0.5623833453386736
Energy: 0.5170330579776306
Energy: 0.5641964825321891
Energy: 0.5625948846533825
Energy: 0.5630949377097997
Energy: 0.5651136693364162
Energy: 0.4747690208879394
Energy: 0.5623443794474052
Energy: 0.5439896891053139
Energy: 0.4752171653092831
Energy: 0.47528891710507404
Energy: 0.5451371891780881
Energy: 0.47611849283374297
Energy: 0.47500532957229896
Energy: 0.5443336164776146
Energy: 0.512503902580836
Energy: 0.5496887605800068
Energy: 0.5498834512446689
Energy: 0.5413076132871232
Energy: 0.5528523320392454
Energy: 0.4749841738283576
Energy: 0.5495589612544757
Energy: 0.549968057269596
Energy: 0.4748833986149172
Energy: 0.5539046961486315
Energy: 0.47487875860098966
Energy: 0.47510832903914063
Energy: 0.5659864791174539
Energy: 0.5271632641073167
Energy: 0.47511226316468336
Energy: 0.5511707251622405
Energy: 0.47526276829299
Energy: 0.46428052412407567
Energy: 0.5648976537020847
Energy: 0.5642714947728369
Energy: 0.46583786500491464
Energy: 0.5636526714478868
Energy: 0.5512913560191709
Energy: 0.5428548203181565
Energy: 0.5174468956363353
Energy: 0.5171891942810681
Energy: 0.5429755772243717
Energy: 0.5173962268586162
Energy: 0.530057471588242
Energy: 0.5246670557817505
Energy: 0.4835971295885081
Energy: 0.5833657085436739
Energy: 0.5251541878966813
Energy: 0.48383566904963204
Energy: 0.5832946425630975
Energy: 0.589180992772124
Energy: 0.5730949329366689
Energy: 0.573180552538742
Energy: 0.5890020371985862
Energy: 0.5540136532755141
Energy: 0.5626575510336408
Energy: 0.5906248706803751
Energy: 0.5170951471647484
Energy: 0.5736342964747183
Energy: 0.5906702896300478
Energy: 0.5171165301179186
Energy: 0.5687458263463413
Energy: 0.6032117532551314
Energy: 0.5724905751078231
Energy: 0.588888707685905
Energy: 0.5971348459713435
Energy: 0.6052202173269122
Energy: 0.562632827957077

minimum gb energy = 0.46428052412407567 eV
minimum distance =  2.60010347594058 Angstroms
sigma value = 41


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

Energy: 0.6775670851097715
Energy: 0.733353784782362
Energy: 0.7021866121143483
Energy: 0.6791107613086707
Energy: 0.6423785163675665
Energy: 0.7056832950765644
Energy: 0.558472576297502
Energy: 0.597522438690587
Energy: 0.5965976115196148
Energy: 0.619797100465526
Energy: 0.6206665551534994
Energy: 0.5966628504833563
Energy: 0.6188133114232478
Energy: 0.6213667672001411
Energy: 0.6214944984276861
Energy: 0.6193364243271554
Energy: 0.5972958249622188
Energy: 0.5961759501629971
Energy: 0.5369864365341768
Energy: 0.6218321181459173
Energy: 0.6222011752644736
Energy: 0.5368091092625704
Energy: 0.5354110039465367
Energy: 0.5972432247096543
Energy: 0.5361434116006687
Energy: 0.6218649248111232
Energy: 0.5964587256126399
Energy: 0.5361489077474308
Energy: 0.6189544861892075
Energy: 0.5959154190324112
Energy: 0.6448739605166237
Energy: 0.6397474918394989
Energy: 0.6456037195098097
Energy: 0.6455412855183857
Energy: 0.6641543497845167
Energy: 0.622118419796962
Energy: 0.5367593796912212
Energy: 0.6240936729643956
Energy: 0.6220756298263613
Energy: 0.5368570711360637
Energy: 0.6239701473931074
Energy: 0.5369252835669154
Energy: 0.5375084115664626
Energy: 0.613013808191115
Energy: 0.563640822944122
Energy: 0.5382025399224144
Energy: 0.6168644089951473
Energy: 0.5369432642630823
Energy: 0.6005580036465767
Energy: 0.5753778547662193
Energy: 0.6119981251143726
Energy: 0.6017825895936562
Energy: 0.560314221095747
Energy: 0.6115207602530698
Energy: 0.5663496320845303
Energy: 0.5381182649348357
Energy: 0.537023528308344
Energy: 0.566546720119339
Energy: 0.5368226304219109
Energy: 0.5655455774071377
Energy: 0.5602997107539035
Energy: 0.5419438816260822
Energy: 0.6231061539717069
Energy: 0.5607923819073005
Energy: 0.5115065868387816
Energy: 0.6252817799461627
Energy: 0.6186097741763875
Energy: 0.609479057687939
Energy: 0.5868751310917303
Energy: 0.6187148104448448
Energy: 0.6108969936069377
Energy: 0.5876020237493506
Energy: 0.621635444083445
Energy: 0.5969783014048305
Energy: 0.5964162655066534
Energy: 0.6218233061564581
Energy: 0.5969448583677837
Energy: 0.5963322886939001
Energy: 0.6253405592168467
Energy: 0.6183256756143202
Energy: 0.6284400692283633
Energy: 0.6256135435827558
Energy: 0.5994834235534247
Energy: 0.6258231674082984

minimum gb energy = 0.5115065868387816 eV
minimum distance =  2.65037319953597 Angstroms
sigma value = 11


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

Energy: 0.843947221649369
Energy: 0.6197608326573104
Energy: 0.6683870045966441
Energy: 0.8450526731239351
Energy: 0.6633435136483056
Energy: 0.6829049764657417
Energy: 0.6284145645797756
Energy: 0.574003251478723
Energy: 0.5699742180559274
Energy: 0.6521404901183419
Energy: 0.5737280166752231
Energy: 0.5892196322986596
Energy: 0.6539870591342652
Energy: 0.5889649302467158
Energy: 0.6184176836003284
Energy: 0.6541674860952229
Energy: 0.5696041557151671
Energy: 0.6373152567989405
Energy: 0.6144910510666706
Energy: 0.5565036338717165
Energy: 0.6416528997248057
Energy: 0.6152782625293132
Energy: 0.5567912380584915
Energy: 0.6475670749387206
Energy: 0.6144199785806195
Energy: 0.5736886118944965
Energy: 0.5736509453299693
Energy: 0.6145810859104667
Energy: 0.5740712467273121
Energy: 0.5738177044292753
Energy: 0.6653268431667616
Energy: 0.5984760316450783
Energy: 0.6048331563271543
Energy: 0.665521417327326
Energy: 0.5984795081419609
Energy: 0.64930637500659
Energy: 0.5983098746417057
Energy: 0.6187426617048479
Energy: 0.631298384045241
Energy: 0.5983988062553873
Energy: 0.6356841657918215
Energy: 0.5982964897229126
Energy: 0.5739405338788035
Energy: 0.6146682211473901
Energy: 0.6107796881220644
Energy: 0.5741213699795629
Energy: 0.6146199358627293
Energy: 0.5718285279040609
Energy: 0.5666566734903306
Energy: 0.6387933213904988
Energy: 0.6384243168076763
Energy: 0.5664957520791603
Energy: 0.6314038653263487
Energy: 0.6335890209308457
Energy: 0.5769525455240322
Energy: 0.6524142235163839
Energy: 0.6382628899181523
Energy: 0.576963962602484
Energy: 0.6528281489197809
Energy: 0.6338300862928572
Energy: 0.5741875467738311
Energy: 0.6063337396634987
Energy: 0.5892744100836605
Energy: 0.5740576115087973
Energy: 0.6079252638538462
Energy: 0.5740091885262083
Energy: 0.5805240083463902
Energy: 0.5868478345304541
Energy: 0.6046675591246368
Energy: 0.5810620563665526
Energy: 0.8057422890976266
Energy: 0.6375670602323618
Energy: 0.5698788682065351
Energy: 0.6380918041109793
Energy: 0.6308521704356902
Energy: 0.5699734572891945
Energy: 0.6525394059971921
Energy: 0.5889051998374575
Energy: 0.5909531199923794
Energy: 0.6531030358975266
Energy: 0.6387115453298773
Energy: 0.5913775738967709
Energy: 0.6530911392693839
Energy: 0.589748713450926
Energy: 0.557354706892847
Energy: 0.6223632528313836
Energy: 0.6166653741825334
Energy: 0.5574057165214096
Energy: 0.6275801413194345
Energy: 0.6173923004299604
Energy: 0.5582937091422898
Energy: 0.6314036134256387
Energy: 0.5825783294599912
Energy: 0.5585986890509119
Energy: 0.6259676267481661
Energy: 0.5575021530471646
Energy: 0.5578228560930678
Energy: 0.6259550329645021
Energy: 0.6534912914150932
Energy: 0.5577202166392902
Energy: 0.6300917056517188
Energy: 0.6533571268657371
Energy: 0.6918948019058307
Energy: 0.5845417136245227
Energy: 0.6086117905309583
Energy: 0.6935527892329141
Energy: 0.6364220163561641
Energy: 0.5971034697988244
Energy: 0.5891714183305309
Energy: 0.6083911217630728
Energy: 0.5921623113210788
Energy: 0.5894157604478666
Energy: 0.6091544502662446
Energy: 0.6269548544603573
Energy: 0.6321335096642423
Energy: 0.5578044425286816
Energy: 0.6330871061123909
Energy: 0.6329979347538905
Energy: 0.5840729390021697
Energy: 0.6288010812233661
Energy: 0.6086072823021087
Energy: 0.5584516992994141
Energy: 0.6212242379305074
Energy: 0.6091939904477144
Energy: 0.5583091559850385
Energy: 0.601982384061998
Energy: 0.5728531613979189
Energy: 0.608538698498715
Energy: 0.6018080304888195
Energy: 0.5729497426513189
Energy: 0.6099859741936652
Energy: 0.6017621291577304
Energy: 0.5691926365776673
Energy: 0.6161293644419101
Energy: 0.6377707446705215
Energy: 0.5692873553752796
Energy: 0.6335731381936776
Energy: 0.6051983878926214
Energy: 0.6083197028894236
Energy: 0.5906071262934854
Energy: 0.6161723456639248
Energy: 0.6085924873387353
Energy: 0.5899519943674701
Energy: 0.6292620930338786
Energy: 0.6072980832455748
Energy: 0.6291412772380088
Energy: 0.5970039033755205
Energy: 0.6073396921980198
Energy: 0.6643878260520453
Energy: 0.5972329930115916
Energy: 0.6272138020974946
Energy: 0.558172584930051
Energy: 0.6118480457430817
Energy: 0.6277727017870054
Energy: 0.5577066411791191
Energy: 0.6538175271451023
Energy: 0.625263276049219
Energy: 0.5576835767897204
Energy: 0.5575019103498384
Energy: 0.6246738772824119
Energy: 0.5584467864408252
Energy: 0.5573079257618209
Energy: 0.6273504850419374
Energy: 0.5578118741475435
Energy: 0.6191944707580304
Energy: 0.6270230674894862
Energy: 0.5574933953616155
Energy: 0.6170331372765324
Energy: 0.6519715550534665
Energy: 0.624234876195401
Energy: 0.613934617473165
Energy: 0.6520626967291326
Energy: 0.6934681337095487
Energy: 0.6136873088424747
Energy: 0.6526064393350284
Energy: 0.5699239439250842
Energy: 0.5889458727693507
Energy: 0.6526843299181782
Energy: 0.5698787969156303
Energy: 0.6311129558281616
Energy: 0.8463817769389221
Energy: 0.5800844192712629
Energy: 0.627940999405446
Energy: 0.8487350540378418
Energy: 0.5813532342176293
Energy: 0.6386627223766941

minimum gb energy = 0.5565036338717165 eV
minimum distance =  2.59231799898215 Angstroms
sigma value = 57


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

Energy: 0.7749203869292975
Energy: 0.6941418424561652
Energy: 0.6939993163565057
Energy: 0.7764464316378159
Energy: 0.5511377787872945
Energy: 0.5562892855634974
Energy: 0.5293776463537874
Energy: 0.5723026223205233
Energy: 0.5479003650348209
Energy: 0.5720902551587919
Energy: 0.5720653783297783
Energy: 0.547295311464817
Energy: 0.5721778250728755
Energy: 0.5836993938669285
Energy: 0.5699138892188852
Energy: 0.5729162456839488
Energy: 0.6671458883586102
Energy: 0.5482741246274148
Energy: 0.5502921612210802
Energy: 0.548168132351379
Energy: 0.5462512687393777
Energy: 0.5507956044172412
Energy: 0.5517950393359405
Energy: 0.5468008269956381
Energy: 0.5570015667401761
Energy: 0.5716062612725433
Energy: 0.5486694786695304
Energy: 0.5567887784237762
Energy: 0.5737843980909875
Energy: 0.5481178096265802
Energy: 0.5565631953030766
Energy: 0.5482351708343665
Energy: 0.5490063379083847
Energy: 0.5469774705758695
Energy: 0.6178491009148775
Energy: 0.5811350590276227
Energy: 0.5550350669968068
Energy: 0.5574544697878675
Energy: 0.5634825918107
Energy: 0.5549144409063257
Energy: 0.5697472122009366
Energy: 0.5483272860335048
Energy: 0.5733806573613852
Energy: 0.5555232336112215
Energy: 0.5492478828571354
Energy: 0.5742432018190393
Energy: 0.5551195296130069
Energy: 0.5477048261567135
Energy: 0.5296750444390869
Energy: 0.5520498462444282
Energy: 0.5568503360689074
Energy: 0.5296074960486277
Energy: 0.5511266343700333
Energy: 0.5563720637523404
Energy: 0.5294371155056616
Energy: 0.57231237193779
Energy: 0.5566128537290249
Energy: 0.5294368263512349
Energy: 0.5733453247459988
Energy: 0.5559105149252327
Energy: 0.5733527113887552
Energy: 0.5546816210281331
Energy: 0.5462055938072967
Energy: 0.5739745036902363
Energy: 0.5718080886577539
Energy: 0.5470462597036657
Energy: 0.5510740644277372
Energy: 0.6670190458245561
Energy: 0.5685898335055724
Energy: 0.5514006016239917
Energy: 0.6661598744658056
Energy: 0.5474844150348113
Energy: 0.5530062292089336
Energy: 0.5476352592398631
Energy: 0.548102139864622
Energy: 0.546583286051638
Energy: 0.5717862184683581
Energy: 0.5476404839080238
Energy: 0.6746852366055588
Energy: 0.5724556142447425
Energy: 0.5518935382137953
Energy: 0.6754853079562563
Energy: 0.5731194195725552
Energy: 0.5516452222576181
Energy: 0.5566738264464023
Energy: 0.5558697876386092
Energy: 0.5471840914673493
Energy: 0.5568284600943244
Energy: 0.558280699645457
Energy: 0.5469899265103175
Energy: 0.5724228737890442
Energy: 0.5561564144520549
Energy: 0.5557109120951659
Energy: 0.57317082607584
Energy: 0.5572256351282511
Energy: 0.5499505660545034
Energy: 0.5293742353383153
Energy: 0.5469690439164784
Energy: 0.5478305590012674
Energy: 0.5293992598206155
Energy: 0.5491672593185909
Energy: 0.5540808819283731

minimum gb energy = 0.5293742353383153 eV
minimum distance =  2.61701899016589 Angstroms
sigma value = 9


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

Energy: 0.8879655074362559
Energy: 0.6039358951569453
Energy: 0.6072942410812893
Energy: 0.6453018909305456
Energy: 0.6399456989683004
Energy: 0.6061019461343202
Energy: 0.6041910427450266
Energy: 0.6059561166899422
Energy: 0.6109659311970856
Energy: 0.6265246746725629
Energy: 0.6042274925185109
Energy: 0.6016995451727906
Energy: 0.601421241558897
Energy: 0.6091285410536849
Energy: 0.6071060871182197
Energy: 0.6014570552767408
Energy: 0.6556965734067698
Energy: 0.6011355649674908
Energy: 0.6007168336771822
Energy: 0.6012102171369786
Energy: 0.6004889505298536
Energy: 0.6007101572053655
Energy: 0.6024776736043007
Energy: 0.6003552895875003
Energy: 0.6057500738205743
Energy: 0.6013821131819693
Energy: 0.5863595298418282
Energy: 0.6063829266233562
Energy: 0.603310026962525
Energy: 0.6045010653628624
Energy: 0.5965422025358221
Energy: 0.6063121805978444
Energy: 0.5987228486687877
Energy: 0.5973869350577139
Energy: 0.5987575234541206
Energy: 0.5983424590312597
Energy: 0.5985602988867904
Energy: 0.5937498252047613
Energy: 0.5986482321344098
Energy: 0.5987363361823793
Energy: 0.6995129429249163
Energy: 0.6022125857741394
Energy: 0.5964051607054753
Energy: 0.6010092754316022
Energy: 0.5989205536779318
Energy: 0.5974723376845547
Energy: 0.5862913495138256
Energy: 0.5987953514811938
Energy: 0.6568280532464477
Energy: 0.5963411731853746
Energy: 0.6080804930289792
Energy: 0.6569259212942242
Energy: 0.5965739800724709
Energy: 0.6071936163137431
Energy: 0.6046214837162297
Energy: 0.6011302473542073
Energy: 0.6087640838572592
Energy: 0.6035739995973808
Energy: 0.5964889327571012
Energy: 0.6069482989973565
Energy: 0.5969460098155734
Energy: 0.5989915483683589
Energy: 0.5971044044875932
Energy: 0.5973537400701641
Energy: 0.5990004407312126
Energy: 0.6000625718409518
Energy: 0.6032279141705138
Energy: 0.6079241031866784
Energy: 0.6062927432128813
Energy: 0.6043055389554831
Energy: 0.6062155016130008
Energy: 0.6114686590675679
Energy: 0.7012432095561987
Energy: 0.5987925221103229
Energy: 0.5941668923708918
Energy: 0.7019077534329621
Energy: 0.5957083699853124
Energy: 0.5974066334217949
Energy: 0.6189827697474699
Energy: 0.6206092634512453
Energy: 0.6057727619712328
Energy: 0.6193490537279049
Energy: 0.6269359496205097
Energy: 0.6003150482122439
Energy: 0.6021692148614649
Energy: 0.5971631505409505
Energy: 0.5984327577717142
Energy: 0.6032805701709741
Energy: 0.5976526483929449
Energy: 0.6083022432255633
Energy: 0.6062399939234435
Energy: 0.6076105454023573
Energy: 0.6061397251055982
Energy: 0.6069502786944206
Energy: 0.6557818333128576
Energy: 0.5993590034352113
Energy: 0.6087566079703566
Energy: 0.60249539439337
Energy: 0.6010825463154496
Energy: 0.6091125020281658
Energy: 0.627937013955217
Energy: 0.60080962743504
Energy: 0.6579595764923927
Energy: 0.6042952637605427
Energy: 0.6027251470115653
Energy: 0.6593937587088372
Energy: 0.6050454686372133
Energy: 0.6109212629506505
Energy: 0.6072492430832168
Energy: 0.6017079642996269
Energy: 0.6011687950537437
Energy: 0.6078846005811182
Energy: 0.6124083586886817
Energy: 0.6016159701389819
Energy: 0.6266487915378673
Energy: 0.6080204459220737
Energy: 0.601246120530248
Energy: 0.6272489153899093
Energy: 0.6191717508567156
Energy: 0.6066535781763491
Energy: 0.5858217695199801
Energy: 0.6103781926072697
Energy: 0.608427415843981
Energy: 0.5858111265864506
Energy: 0.6045715205246208
Energy: 0.6084486281473398

minimum gb energy = 0.5858111265864506 eV
minimum distance =  2.5810428021889 Angstroms
sigma value = 27


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

Energy: 0.7464479883658726
Energy: 0.6507040711269164
Energy: 0.6033100727382098
Energy: 0.738115665199911
Energy: 0.8823148820759469
Energy: 0.6097183144365852
Energy: 0.6080994999720505
Energy: 0.6414477064383435
Energy: 0.6422884442603262
Energy: 0.6744168426652034
Energy: 0.6527590019918599
Energy: 0.6555104695535879
Energy: 0.6288875488090298
Energy: 0.6367447263988882
Energy: 0.6369878667919092
Energy: 0.6294239134535059
Energy: 0.5870062709170425
Energy: 0.6524028053101655
Energy: 0.6209599745667665
Energy: 0.65043695217918
Energy: 0.6367609656233272
Energy: 0.6215711914105131
Energy: 0.6425924862148712
Energy: 0.6377305371564724
Energy: 0.5950444188490517
Energy: 0.6411321894188953
Energy: 0.6332195317060134
Energy: 0.5954370757894691
Energy: 0.6408881856923747
Energy: 0.6440069071071297
Energy: 0.6172917269333021
Energy: 0.6397692603261079
Energy: 0.6353509913445219
Energy: 0.6178894038199204
Energy: 0.6322895759103773
Energy: 0.6452536771577717
Energy: 0.6226057268516272
Energy: 0.6520226378857558
Energy: 0.6498358700979046
Energy: 0.6227543582267036
Energy: 0.6506760591868086
Energy: 0.6221327992338256
Energy: 0.6639196965734009
Energy: 0.6155128884383732
Energy: 0.6444500836282132
Energy: 0.6535801137393007
Energy: 0.6014147445920995
Energy: 0.6475720848973868
Energy: 0.6492960526263304
Energy: 0.6229860006476811
Energy: 0.64202443864218
Energy: 0.6376667193928496
Energy: 0.6234968445317474
Energy: 0.6341936480661361
Energy: 0.63934541021539
Energy: 0.5955765408477253
Energy: 0.615625450536551
Energy: 0.6288131363202667
Energy: 0.5918038050976803
Energy: 0.6135507107739071
Energy: 0.6537269861020656
Energy: 0.6382743666149748
Energy: 0.6443870108611603
Energy: 0.6538368864682337
Energy: 0.586060349883975
Energy: 0.6449119530142092
Energy: 0.5695003469955957
Energy: 0.5921375023371891
Energy: 0.5873179078822042
Energy: 0.570934238163053
Energy: 0.5936225618067157
Energy: 0.5699283387283871
Energy: 0.5654154088230431
Energy: 0.5731823500509479
Energy: 0.5696618976418476
Energy: 0.5623547360386763
Energy: 0.5758946388780619
Energy: 0.5708843090328399
Energy: 0.5878673086081745
Energy: 0.5877651734821256
Energy: 0.5970205265969031
Energy: 0.5884380561092841
Energy: 0.6091879043068236
Energy: 0.5968207901918667
Energy: 0.569927089298738
Energy: 0.5805789047532938
Energy: 0.5711336421025255
Energy: 0.569928494933337
Energy: 0.5883804050098396
Energy: 0.5697596136487534
Energy: 0.6153469704407435
Energy: 0.6031549656665642
Energy: 0.61007896367062
Energy: 0.6159694165079701
Energy: 0.5820407327908685
Energy: 0.609688008698982
Energy: 0.5917755326741804
Energy: 0.6080493909391186
Energy: 0.606905515973122
Energy: 0.592533233396835
Energy: 0.6181479629154072
Energy: 0.6065205641021121
Energy: 0.6167648662010491
Energy: 0.6306230220154107
Energy: 0.6366221779818099
Energy: 0.618030572516565
Energy: 0.6323211541039985
Energy: 0.6254205590501114
Energy: 0.6199333562967814
Energy: 0.613004255014437
Energy: 0.6127215684367434
Energy: 0.6206956743645793
Energy: 0.6516045449255362
Energy: 0.6136200812480738
Energy: 0.629955769948012
Energy: 0.6043298429383399
Energy: 0.6128953675648393
Energy: 0.6304819089062563
Energy: 0.6511216183271569
Energy: 0.6132024094996503
Energy: 0.6411204374569132
Energy: 0.63154838802072
Energy: 0.6349270853981502
Energy: 0.6411964361052759
Energy: 0.6361307046758873
Energy: 0.6350287482325205
Energy: 0.5922975456454334
Energy: 0.648518752225394
Energy: 0.648412667017473
Energy: 0.5929485866476835
Energy: 0.6486614345175646
Energy: 0.6360947018482367
Energy: 0.6482862179110386
Energy: 0.6259380817076727
Energy: 0.6441119042259738
Energy: 0.6488862928400168
Energy: 0.6580317049614554
Energy: 0.6353185512124022
Energy: 0.6299300508417363
Energy: 0.6214386633217368
Energy: 0.6325016047437493
Energy: 0.629968632184088
Energy: 0.6526069254447522
Energy: 0.6371746073672553
Energy: 0.6067742121705274
Energy: 0.672357540373198
Energy: 0.6833600525455163
Energy: 0.6068800822940742
Energy: 0.6728905658715751
Energy: 0.6165864638047674

minimum gb energy = 0.5623547360386763 eV
minimum distance =  2.59638320550288 Angstroms
sigma value = 19


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

Energy: 0.8480304518826093
Energy: 0.6755246846584424
Energy: 0.6896280176687044
Energy: 0.7239285666450825
Energy: 0.659966128058968
Energy: 0.6587198748808977
Energy: 0.6411632466130747
Energy: 0.6101632702915392
Energy: 0.6102774943878788
Energy: 0.6703633677101876
Energy: 0.6096381010991592
Energy: 0.6252628647479832
Energy: 0.6120979082806298
Energy: 0.5676488979360584
Energy: 0.5675995076635855
Energy: 0.6120377580708709
Energy: 0.5676951475538207
Energy: 0.6266869954473907
Energy: 0.6084246972122934
Energy: 0.625661006975699
Energy: 0.6255026711161081
Energy: 0.6080964753490907
Energy: 0.610254238438667
Energy: 0.6250964731673913
Energy: 0.5744110686704065
Energy: 0.6121305701776149
Energy: 0.6119868115868445
Energy: 0.5757867022541343
Energy: 0.6122352928387763
Energy: 0.5673232224224005
Energy: 0.6084326366179592
Energy: 0.6231930829477874
Energy: 0.6259534362867428
Energy: 0.6088480533817007
Energy: 0.6395076255673269
Energy: 0.6258074423519896
Energy: 0.6522485606493869
Energy: 0.6316956573341249
Energy: 0.6246875408187477
Energy: 0.6522585008305989
Energy: 0.6113482603684232
Energy: 0.6311187733176945
Energy: 0.6085936261545373
Energy: 0.6201159835818748
Energy: 0.6255772397365792
Energy: 0.6091040608694763
Energy: 0.6058431839548275
Energy: 0.6104922737754225
Energy: 0.5680382890275871
Energy: 0.6121438727761878
Energy: 0.6168687076186306
Energy: 0.5678118036825222
Energy: 0.6120270867153865
Energy: 0.6201968500167854
Energy: 0.5674313868888432
Energy: 0.6103174664721103
Energy: 0.6212287025461174
Energy: 0.5671458772404542
Energy: 0.6094904294636472
Energy: 0.6215555538773617
Energy: 0.6020496436689516
Energy: 0.5580753845870415
Energy: 0.5581214442174698
Energy: 0.6021208698431195
Energy: 0.5605974961789159
Energy: 0.6064402601535421
Energy: 0.6294366472939503
Energy: 0.6084953741300109
Energy: 0.6213008289504504
Energy: 0.6303543120692039
Energy: 0.6015957205835774
Energy: 0.6199002154025083
Energy: 0.6879028000147492
Energy: 0.6120959926718413
Energy: 0.604087337771467
Energy: 0.5781630322939818
Energy: 0.6121819028571404
Energy: 0.6058857744488066
Energy: 0.6119117022346673
Energy: 0.6098913969587517
Energy: 0.6103279339420358
Energy: 0.6108018759042281
Energy: 0.6071081422208872
Energy: 0.6117421696143489
Energy: 0.6096063965812657
Energy: 0.5581291653436565
Energy: 0.6017287443804723
Energy: 0.6096133110439695
Energy: 0.5577593123124802
Energy: 0.6030677092590392
Energy: 0.6128752750532659
Energy: 0.572162652157957
Energy: 0.6158097731471125
Energy: 0.6139504890922911
Energy: 0.5582575137787874
Energy: 0.6139647149676362
Energy: 0.6987598912831866
Energy: 0.5996313036998945
Energy: 0.6004487132088262
Energy: 0.7000884722279441
Energy: 0.5994425687238932
Energy: 0.5996105880361468
Energy: 0.6171851785153337
Energy: 0.6027763480913658
Energy: 0.6085100571681797
Energy: 0.6181774456816024
Energy: 0.6134720636050315
Energy: 0.6107082271313217
Energy: 0.6121679611407351
Energy: 0.5565031538673748
Energy: 0.6294887129221001
Energy: 0.612475279789066
Energy: 0.5564959980360986
Energy: 0.607289832149243
Energy: 0.600603792097821
Energy: 0.6101707730345381
Energy: 0.6171269189919607
Energy: 0.6014414581781794
Energy: 0.5567216816138945
Energy: 0.6077446248510437
Energy: 0.5621095543298261
Energy: 0.6138534323282991
Energy: 0.608777503027924
Energy: 0.562882448437587
Energy: 0.6132687135367563
Energy: 0.6093974055696003
Energy: 0.571424222638283
Energy: 0.623200907092314
Energy: 0.6184892429945661
Energy: 0.5715847213541524
Energy: 0.6304524285394996
Energy: 0.6147835779183657
Energy: 0.6054659872177
Energy: 0.5541967240621205
Energy: 0.6097659264630654
Energy: 0.6055116398918805
Energy: 0.5538566658895797
Energy: 0.6047825987974026
Energy: 0.6092485311988058
Energy: 0.5884677765903544
Energy: 0.6081327234102754
Energy: 0.6092413431013783
Energy: 0.5748240937573953
Energy: 0.6054942004617262
Energy: 0.6160565028343071
Energy: 0.6203360424795529
Energy: 0.6181484514939054
Energy: 0.6197927433341758
Energy: 0.6321252783413404
Energy: 0.618474762171159
Energy: 0.6387050602702625
Energy: 0.6021515475649721
Energy: 0.6037177101485581
Energy: 0.5659894748024876
Energy: 0.6027571410312732
Energy: 0.6032226242529706
Energy: 0.6097462636564243
Energy: 0.5671873719063923
Energy: 0.6279676575725983
Energy: 0.6103452631621682
Energy: 0.5673138042926764
Energy: 0.6113267735934114
Energy: 0.6121469687685619
Energy: 0.5672174596506978
Energy: 0.6212880260013977
Energy: 0.6121719702246537
Energy: 0.5938732955515734
Energy: 0.6191498049312923
Energy: 0.6279511320350043
Energy: 0.6083166557486848
Energy: 0.6099391150878121
Energy: 0.6126208363659346
Energy: 0.6083037627326799
Energy: 0.6057585985361564

minimum gb energy = 0.5538566658895797 eV
minimum distance =  2.57083773613071 Angstroms
sigma value = 101


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

Energy: 0.7990459181302665
Energy: 0.7643060580390555
Energy: 0.7619592644325007
Energy: 0.8005302637259534
Energy: 0.6849436654793212
Energy: 0.5238290942437418
Energy: 0.6141685481322117
Energy: 0.6056458143852299
Energy: 0.6135336309436847
Energy: 0.6638551547915547
Energy: 0.6002293197170715
Energy: 0.6123597947511792
Energy: 0.607135113014922
Energy: 0.5354277305810319
Energy: 0.5352905044334137
Energy: 0.6069414324247386
Energy: 0.5364876289796713
Energy: 0.5903996741864863
Energy: 0.5993326191063436
Energy: 0.6115721551034498
Energy: 0.6118236370285165
Energy: 0.5998301566662698
Energy: 0.6034135533519602
Energy: 0.6114089304003262
Energy: 0.5440576795165616
Energy: 0.607403590322814
Energy: 0.5907854166901098
Energy: 0.5453947237149479
Energy: 0.6079581993018347
Energy: 0.5436995280015731
Energy: 0.5926161198366973
Energy: 0.6121126804046855
Energy: 0.6124999772581955
Energy: 0.5929473358691568
Energy: 0.6239057118338979
Energy: 0.6121064041454417
Energy: 0.5986931599940053
Energy: 0.5752801980823191
Energy: 0.647975943287839
Energy: 0.5990724585462444
Energy: 0.5746391060823693
Energy: 0.6684593246465211
Energy: 0.5994876321222691
Energy: 0.6115807090508748
Energy: 0.611306084882663
Energy: 0.6002444849824677
Energy: 0.6079069756057878
Energy: 0.6040844276429566
Energy: 0.536373757861709
Energy: 0.6068160705223661
Energy: 0.5351418754370577
Energy: 0.5371644693216889
Energy: 0.6066606314560005
Energy: 0.5353909833256252
Energy: 0.5350367924875719
Energy: 0.6119429565428245
Energy: 0.6136697969445533
Energy: 0.5348673861680436
Energy: 0.6096635152023722
Energy: 0.6130911435289284
Energy: 0.5991290144059328
Energy: 0.522459251930114
Energy: 0.5223720941522476
Energy: 0.5992665977800633
Energy: 0.5256865611191359
Energy: 0.5959829755835483
Energy: 0.6086095229671878
Energy: 0.6133615865726769
Energy: 0.6142898433519998
Energy: 0.6095582254997014
Energy: 0.5840600314379915
Energy: 0.6132571643294951
Energy: 0.6451469815625731
Energy: 0.6068328094891755
Energy: 0.6069414243441417
Energy: 0.6463957053003991
Energy: 0.608172932772334
Energy: 0.6089255858298614
Energy: 0.5733871772221049
Energy: 0.599459347523775
Energy: 0.6108864480076186
Energy: 0.5737422849928988
Energy: 0.6004049647651777
Energy: 0.6107173413539498
Energy: 0.6066512058937878
Energy: 0.5358719622162325
Energy: 0.5350233550837473
Energy: 0.6075698751664101
Energy: 0.5369798188045518
Energy: 0.5805376253404628
Energy: 0.6243370423743609
Energy: 0.5489894533885133
Energy: 0.5990199696385564
Energy: 0.6243831177498937
Energy: 0.5494761162351132
Energy: 0.6117614378687852
Energy: 0.7399248617268518
Energy: 0.5756958069662725
Energy: 0.6027678262107323
Energy: 0.7399805468385168
Energy: 0.575705388307848
Energy: 0.5753612535905279
Energy: 0.6134874486674186
Energy: 0.5988803322829823
Energy: 0.6032367578829783
Energy: 0.6134352316512691
Energy: 0.5997116905901814
Energy: 0.6137294641311776
Energy: 0.6068107014752613
Energy: 0.5351290703756201
Energy: 0.5350470800378997
Energy: 0.6068449571221922
Energy: 0.5350955984915076
Energy: 0.6004146687135121
Energy: 0.5982841458351484
Energy: 0.53498408414447
Energy: 0.6118830286668507
Energy: 0.5991393383663653
Energy: 0.5350888419913592
Energy: 0.6134846642433771
Energy: 0.5456371778816259
Energy: 0.5990736926825029
Energy: 0.6033500000214544
Energy: 0.5467787499959833
Energy: 0.5990141438033423
Energy: 0.5440204532241087
Energy: 0.5691540639910273
Energy: 0.6132414296534106
Energy: 0.6125878927091798
Energy: 0.5703541764845302
Energy: 0.624690583690321
Energy: 0.6126268105985073
Energy: 0.5994407477044383
Energy: 0.5791280686311612
Energy: 0.5786352348660764
Energy: 0.5994981725292893
Energy: 0.5809774730804946
Energy: 0.6077955226634919
Energy: 0.6006063254469152
Energy: 0.6123667124958782
Energy: 0.61090648271551
Energy: 0.5997323379346342
Energy: 0.5789243756893965
Energy: 0.6034905928151821
Energy: 0.5495515146922768
Energy: 0.610284830111057
Energy: 0.6135250134762217
Energy: 0.5402598433320291
Energy: 0.6068175250173461
Energy: 0.6046450876177569
Energy: 0.5364684542387408
Energy: 0.6101615465275879
Energy: 0.6115691278741484
Energy: 0.5369610553998716
Energy: 0.6103084535405477
Energy: 0.611710698561557
Energy: 0.6008614965403842
Energy: 0.5221532955708338
Energy: 0.6076266447185772
Energy: 0.5993706876170812
Energy: 0.5255963796861767
Energy: 0.6059388133670544
Energy: 0.6089547779988335
Energy: 0.5225521102430257
Energy: 0.6100971977485483
Energy: 0.6090009286652341
Energy: 0.5221611724097226
Energy: 0.6089272611630688
Energy: 0.5747518102292835
Energy: 0.607355873166281
Energy: 0.6083991289536396
Energy: 0.5334626323785895
Energy: 0.6079902406228815
Energy: 0.6092881198994705
Energy: 0.6459504513424049
Energy: 0.5990229780489587
Energy: 0.6017054997766996
Energy: 0.533742860777758
Energy: 0.6003323661058776
Energy: 0.6088159989169003
Energy: 0.6114173511060143
Energy: 0.535194150963941
Energy: 0.5348876373589038
Energy: 0.6090689916044519
Energy: 0.5355704445384059
Energy: 0.6108866730648983
Energy: 0.6235496101535796
Energy: 0.5488476405027811
Energy: 0.5748963704774007
Energy: 0.6236573068285873
Energy: 0.5498666361423771
Energy: 0.6000229061774681
Energy: 0.6706400323877878
Energy: 0.5994346414771033
Energy: 0.6084272188296261
Energy: 0.5212963245061931
Energy: 0.599443947630545
Energy: 0.6089646222804107

minimum gb energy = 0.5212963245061931 eV
minimum distance =  2.57813951030872 Angstroms
sigma value = 33


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

Energy: 0.01168239123948148
Energy: 0.013447351048324176
Energy: 0.013313015548596882
Energy: 0.013028269530058973
Energy: 0.5288512869219335
Energy: 0.012472210672433521
Energy: 0.012255724696017909
Energy: 0.06488491549240058
Energy: 0.063417604259406
Energy: 0.06285176481743297
Energy: 0.06281140862376519
Energy: 0.06294210085658361
Energy: 0.7286767712667853
Energy: 0.530360033398664
Energy: 0.5291392653842649
Energy: 0.7288308560912958
Energy: 0.5287562141212914
Energy: 0.5289853504759601
Energy: 0.012255724696017909
Energy: 0.06488491549240058
Energy: 0.06341760425905264
Energy: 0.06285176481707962
Energy: 0.06281140862343146
Energy: 0.06294210085658361

minimum gb energy = 0.01168239123948148 eV
minimum distance =  2.82790553060582 Angstroms
sigma value = 1