Model name: model_name=EAM_Dynamo_HaleWongZimmerman_2008PairMorse_PdAgH__MO_108983864770_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.884859305620196
cohesive_energy=3.9107321447526497
mass=106.42
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=[9.87708249151686e-20, 1.6354698644545198e-19, 2.2192229210524197e-19, 2.7662861327317196e-19, 3.24194033183364e-19, 3.6551256639759e-19, 4.0101359625376197e-19, 4.31262691103682e-19, 4.56935969486898e-19, 4.786839151168139e-19, 4.97056074578892e-19, 5.12497852977384e-19, 5.305335553463219e-19, 5.482408115052899e-19, 5.64152027657544e-19, 5.78010855541644e-19, 5.899102214023619e-19, 5.999831059003199e-19, 6.08335252693362e-19, 6.150387597300179e-19, 6.201513053691119e-19, 6.237289657928339e-19, 6.25832623713276e-19, 6.265183553126279e-19, 6.2577814970772e-19, 6.233796912866219e-19, 6.190281795486779e-19, 6.120859481935559e-19, 6.03209889641196e-19, 5.918873073687179e-19, 5.76987064672518e-19, 5.57530231629222e-19, 5.32472189073462e-19, 5.00548819641012e-19, 4.60143527108166e-19, 4.0918629926379594e-19, 3.45075201254286e-19, 2.64597868928466e-19, 1.63836980416206e-19, 4.06975295508876e-20, -1.1404036932550558e-19, -3.0838856068895397e-19, -5.53685007707622e-19, -8.672421902178599e-19, -1.2728091724654499e-18, -1.80598952361114e-18, -2.5183012333212e-18, -3.5006758364582994e-18, -4.916999980914299e-18, -9.14423087735892e-18]
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: 0.01305945781596795
Energy: 0.013766454308525293
Energy: 0.01357534112127618
Energy: 0.013259087938593818
Energy: 6.286750302523847
Energy: 0.013629059456247107
Energy: 0.01376645430930978
Energy: 0.08055679282824352
Energy: 6.545969643906974
Energy: 6.2641586924134645
Energy: 0.08005682726671257
Energy: 6.312932489333974
Energy: 0.0135753411210348
Energy: 6.5459696439149395
Energy: 6.587745162825061
Energy: 0.013597288058224074
Energy: 0.08109127003199712
Energy: 6.284142685065547
Energy: 0.013259087938050714
Energy: 6.285655830011378
Energy: 0.013597288058224074
Energy: 0.013272776696006976
Energy: 6.313709864557292
Energy: 0.013534894479486713
Energy: 6.28022916850451
Energy: 0.08005682726061772
Energy: 0.0810912700338678
Energy: 6.31371088204976
Energy: 0.08037977094077874
Energy: 6.267085963193991
Energy: 0.013629059456518657
Energy: 6.312932508125089
Energy: 6.284143010933869
Energy: 0.013534894480029817
Energy: 6.2659444816059375
Energy: 0.013712424179362099

minimum gb energy = 0.01305945781596795 eV
minimum distance =  2.73985767912672 Angstroms
sigma value = 1


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

Energy: 0.8671673799815217
Energy: 2.134599848199372
Energy: 0.6395956547604005
Energy: 0.6198405644431694
Energy: 3.120134428036378
Energy: 0.6430404111203438
Energy: 2.332759468218204
Energy: 0.6045896284792067
Energy: 0.6026945727043422
Energy: 2.840961962060621
Energy: 0.5990483208887765
Energy: 1.4136218375937843
Energy: 0.8141069224145794
Energy: 0.5974651074043235
Energy: 0.595250778864219
Energy: 0.585719666518585
Energy: 0.6001979855373357
Energy: 2.0795106583779317
Energy: 2.1878910901754014
Energy: 2.241328104929789
Energy: 0.5934681066051298
Energy: 2.182267187343833
Energy: 2.0691289684423873
Energy: 0.5931568616229925
Energy: 0.8381413921053847
Energy: 0.5963579704173374
Energy: 0.5973452450722089
Energy: 0.5907185929660858
Energy: 0.5989575289070901
Energy: 0.6002979269995035
Energy: 2.071766461641745
Energy: 0.5957110146669838
Energy: 0.5971287113437717
Energy: 0.5863566700576858
Energy: 0.5966092628238092
Energy: 0.5970335763421943
Energy: 2.086820801070165
Energy: 0.597711188778678
Energy: 0.5988114228028882
Energy: 1.9742162038645632
Energy: 0.5984511743523413
Energy: 0.5950900991229701
Energy: 0.7844881248347133
Energy: 0.5903116955546812
Energy: 0.6017646210373222
Energy: 0.5948844500991495
Energy: 0.5839756187190971
Energy: 1.3340348139087896
Energy: 0.6510267751163645
Energy: 1.2842776128843902
Energy: 1.281804215465357
Energy: 0.5982032159596444
Energy: 1.285772615365222
Energy: 0.5942140395772314
Energy: 0.6499231421674903
Energy: 0.5949741829286926
Energy: 0.5968465655844425
Energy: 0.5966349021645156
Energy: 1.3311768403590336
Energy: 0.5989601003545019
Energy: 0.698642163265279
Energy: 0.5923169432099412
Energy: 0.5925213448144758
Energy: 1.649380042787889
Energy: 0.5897804595173385
Energy: 2.1648923813141585
Energy: 0.6383078965866802
Energy: 1.3930920563764295
Energy: 0.5942102620766059
Energy: 0.5963119872088516
Energy: 2.0259396681271418
Energy: 0.5944899826432434
Energy: 0.6424180061023962
Energy: 2.096050678930727
Energy: 2.0848183928443715
Energy: 0.5978070539165476
Energy: 1.331844352232664
Energy: 2.1511032594535946
Energy: 0.6721632049792847
Energy: 0.5940560822612208
Energy: 0.5922592170225949
Energy: 2.432759514130483
Energy: 0.593504969594917
Energy: 2.222642982116102
Energy: 0.6338736117952706
Energy: 0.5912080556031767
Energy: 0.6009954753549595
Energy: 0.595787187654068
Energy: 2.1081308131527163
Energy: 0.6058661513990125
Energy: 0.6368822122266643
Energy: 1.997605442827426
Energy: 1.9876153526411282
Energy: 0.5952363767379303
Energy: 2.0133895861725235
Energy: 0.5964525977816781
Energy: 0.7234912054091973
Energy: 0.5904905878615218
Energy: 0.5947429446461342
Energy: 0.5952351924432604
Energy: 0.5873130443483857
Energy: 2.0824571730500616
Energy: 1.349464636944968
Energy: 0.5916636447195925
Energy: 0.5964744326873014
Energy: 1.2846191947622605
Energy: 0.5954113829603599
Energy: 0.5964534478387084
Energy: 0.7165318196298386
Energy: 0.5916846891417664
Energy: 0.5967434157716961
Energy: 0.5910213608560057
Energy: 0.5966311150607401
Energy: 0.5968229209568078
Energy: 0.8298327348827543
Energy: 0.5923788099981281
Energy: 0.5898105151171016
Energy: 0.5926167241308181
Energy: 0.5958681721437755
Energy: 0.5900619849421068
Energy: 2.122613978985017
Energy: 1.4708993379319364
Energy: 0.589697698960708
Energy: 2.0568499787496988
Energy: 1.4388091200998665
Energy: 0.5902226943394141
Energy: 0.8281879607758098
Energy: 0.5971768716703938
Energy: 0.5947498141525343
Energy: 0.5838651064812255
Energy: 0.5948252923217994
Energy: 1.3313023302129066
Energy: 0.8398114142586423
Energy: 0.5999747317706088
Energy: 0.6025683088455985
Energy: 2.124434973457295
Energy: 0.5982845139876141
Energy: 1.4667993842390363

minimum gb energy = 0.5838651064812255 eV
minimum distance =  0.985529318021965 Angstroms
sigma value = 33


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

Energy: 0.9638905649023648
Energy: 0.6123833438875851
Energy: 0.6065454515933009
Energy: 0.6075631201810967
Energy: 2.4323139500555895
Energy: 0.6091038477928419
Energy: 0.6995884357423543
Energy: 0.5761228444405746
Energy: 0.5959602813612571
Energy: 0.5853579194841683
Energy: 0.5762118548260785
Energy: 2.278118747885484
Energy: 0.7697662726712161
Energy: 0.5756037427300237
Energy: 0.5902482497322493
Energy: 0.5885546166545051
Energy: 0.5759158510686703
Energy: 2.200740291072093
Energy: 0.7944375556644263
Energy: 4.041248612015776
Energy: 4.024119242503804
Energy: 0.5867995455705693
Energy: 0.5757908938969715
Energy: 0.5801238273900406
Energy: 0.7331396826400285
Energy: 0.5862320969450173
Energy: 0.5867578028504318
Energy: 0.5851169599715899
Energy: 0.5860435837893442
Energy: 0.5850264704917548
Energy: 0.7684075332597906
Energy: 0.5843919746716323
Energy: 0.5867830733558668
Energy: 0.5925660856356694
Energy: 0.5839089464053848
Energy: 0.5846013036483253
Energy: 0.7709002721602979
Energy: 0.5868613765458419
Energy: 0.5852435678002886
Energy: 0.5985521566983476
Energy: 0.5863753961296273
Energy: 0.5849413643558198
Energy: 0.7322241104427474
Energy: 0.5870787199140521
Energy: 0.5853531555800727
Energy: 0.5853392190568593
Energy: 0.5827507131331257
Energy: 0.5846234654885494
Energy: 0.6432563314652929
Energy: 0.5881950719599052
Energy: 2.2269257551868797
Energy: 0.5847255505981345
Energy: 0.5837225840575702
Energy: 2.2046846518163163
Energy: 0.6419851954851106
Energy: 2.4111625755748283
Energy: 2.3389611959595835
Energy: 0.5860095287307191
Energy: 2.28575958274533
Energy: 0.5961390462148574
Energy: 0.6905419509294638
Energy: 0.5699592568081281
Energy: 0.5697214138802533
Energy: 2.3391761015872197
Energy: 0.5697875570077291
Energy: 0.5672937211487217
Energy: 0.6189845020800621
Energy: 0.5861073284341216
Energy: 2.3165472482290026
Energy: 0.5767124721717948
Energy: 0.5836440200443116
Energy: 2.307553799253949
Energy: 0.619645675758212
Energy: 3.8924691322978853
Energy: 2.1987860795554384
Energy: 0.5761177006695017
Energy: 3.863771993682226
Energy: 0.5894385727851779
Energy: 0.6326331638926972
Energy: 0.5848763898909974
Energy: 0.582315379851215
Energy: 0.5755997917258893
Energy: 0.585919361520819
Energy: 0.5820155045673704
Energy: 0.6410768942170507
Energy: 0.5865008666652535
Energy: 0.5850832538666607
Energy: 0.5854224238361646
Energy: 0.5860009238076328
Energy: 0.585131501867584
Energy: 0.6435343306457875
Energy: 0.5849885018818874
Energy: 0.5840018490556443
Energy: 0.5851582362076617
Energy: 0.5909550151776533
Energy: 0.5869008076037775
Energy: 0.7347239980906612
Energy: 0.5853114139766511
Energy: 0.5850000767053126
Energy: 0.5858045027942073
Energy: 0.5850822408015494
Energy: 0.5845538927912762
Energy: 0.6754084674988863
Energy: 2.275277557254384
Energy: 2.2092785377168473
Energy: 0.5830804242735059
Energy: 0.5862392809315218
Energy: 0.5831999848941505
Energy: 0.6821258682599439
Energy: 0.5842708108464543
Energy: 2.181227015656456
Energy: 0.5838558047249575
Energy: 0.5841096124119707
Energy: 2.2426744961852996
Energy: 2.54092534270925
Energy: 0.5862702512006324
Energy: 0.5945236393230721
Energy: 2.2873273987299982
Energy: 0.5863206950369718
Energy: 0.5847648105118446
Energy: 0.6985453929185557
Energy: 2.3338115328694986
Energy: 0.5688370404033474
Energy: 0.5910602021737379
Energy: 2.3197421790842494
Energy: 0.5685199514247008
Energy: 0.7016533140462851
Energy: 2.3381151626408863
Energy: 2.3430571985845763
Energy: 0.5838074479875953
Energy: 0.5760266975916071
Energy: 2.2736000029483527
Energy: 4.012380907119231
Energy: 0.5759663934300502
Energy: 0.5759948990521857
Energy: 2.2083011983245604
Energy: 0.5758796648523175
Energy: 0.5726730523782692
Energy: 0.8141007173565686
Energy: 3.9319941724062923
Energy: 4.010294446010782
Energy: 0.5840372174139917
Energy: 4.106954021306532
Energy: 0.6006616222282226
Energy: 0.7349937466484749
Energy: 0.5849267816298813
Energy: 0.5849685924122972
Energy: 0.5854240118438439
Energy: 0.586815215190132
Energy: 0.5853639148972916
Energy: 0.764810946125315
Energy: 0.5845294398516463
Energy: 0.5859017360015434
Energy: 0.5908186957346105
Energy: 0.5865050446794907
Energy: 0.582774188980775
Energy: 0.7950882906695158
Energy: 0.5842235034267249
Energy: 0.5846571202961011
Energy: 0.5986827805575153
Energy: 0.5847084803571001
Energy: 0.5845361389808484
Energy: 0.7350059022758828
Energy: 0.5867948741231422
Energy: 0.5834056102776728
Energy: 0.5853114220778861
Energy: 0.5833368035652458
Energy: 2.2130738673998764
Energy: 0.6411048675274909
Energy: 0.5867904306465135
Energy: 0.5833574541305964
Energy: 0.5856737070278482
Energy: 0.58313664235008
Energy: 2.1828352484300666
Energy: 0.648877754806019
Energy: 0.5858817670340364
Energy: 0.5848182601639913
Energy: 0.5854133800848597
Energy: 0.585358889510307
Energy: 0.5945586355374559
Energy: 0.6916664419133596
Energy: 0.5637511815324793
Energy: 0.5662323847586017
Energy: 2.604473858621518
Energy: 0.5697951774295521
Energy: 0.5699817135085039
Energy: 0.6199957796665309
Energy: 0.5831770768522471
Energy: 0.5797433569925701
Energy: 0.5757128672592801
Energy: 0.5851809195780795
Energy: 2.355196801073103
Energy: 0.6203626237059199
Energy: 0.5858965984341773
Energy: 0.5852176857596697
Energy: 0.5764567185250539
Energy: 2.216265844172273
Energy: 0.5760762874148649
Energy: 0.6200883779944834
Energy: 0.5850838179068918
Energy: 0.5836655827946217
Energy: 0.575071497901333
Energy: 0.5833161875398755
Energy: 0.5834887812430881
Energy: 0.6425781286094415
Energy: 0.58519548731456
Energy: 0.5934166628714783
Energy: 0.5849412732292801
Energy: 3.8707496638658547
Energy: 0.5847518777631894
Energy: 0.6395590657242637
Energy: 0.5854599920756111
Energy: 0.5857787772015364
Energy: 0.591258353284749
Energy: 0.5915206350037716
Energy: 0.5865709728671566
Energy: 0.6420150203773205
Energy: 0.5813740626583112
Energy: 0.5851160766599509
Energy: 0.6034715738768417
Energy: 0.5863099387500521
Energy: 0.5846011678836702
Energy: 0.6742949604571862
Energy: 0.5932008005162863
Energy: 2.1767103101119987
Energy: 0.5837362224915557
Energy: 0.591205847435504
Energy: 2.176063199216095
Energy: 0.6734550777173932
Energy: 2.2154828489095504
Energy: 2.203251389230473
Energy: 0.5827729498751117
Energy: 0.5866132964207506
Energy: 0.583567661236858
Energy: 0.7331379062584402
Energy: 0.5843038763306492
Energy: 0.5851979945274103
Energy: 0.5862889676308906
Energy: 0.5845038718842764
Energy: 0.5841785421301195
Energy: 0.9164034346019678
Energy: 2.398200030842656
Energy: 0.5696235055994406
Energy: 0.5819860591958236
Energy: 2.3233582323770765
Energy: 0.5668154557106843

minimum gb energy = 0.5637511815324793 eV
minimum distance =  2.56850922168385 Angstroms
sigma value = 51


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

Energy: 0.9223606881192588
Energy: 2.7309656267658613
Energy: 2.759121493476211
Energy: 0.6211011530107682
Energy: 2.0883844137464807
Energy: 0.6203462397707833
Energy: 0.7941639675495024
Energy: 0.5903192987616849
Energy: 0.5879105909478137
Energy: 1.6342080671758965
Energy: 0.5954986788643147
Energy: 1.6036442090342726
Energy: 0.8179645546448548
Energy: 0.590087394981522
Energy: 0.5901290965126742
Energy: 2.451386256816261
Energy: 0.5968577739688553
Energy: 1.5303231354116245
Energy: 0.8175232844645841
Energy: 2.467791378424806
Energy: 2.5843614913099073
Energy: 0.5926052793583769
Energy: 0.5879909126988534
Energy: 0.5949086459861512
Energy: 0.7581176439898325
Energy: 0.6062595235594661
Energy: 0.6052416538791171
Energy: 0.6173910389262816
Energy: 0.6054613346757856
Energy: 0.6048032041065021
Energy: 0.6966824091739742
Energy: 1.5174519682781367
Energy: 0.6017566056094622
Energy: 0.6029111348971015
Energy: 1.5157252517529953
Energy: 0.601688594777943
Energy: 0.7013986878968396
Energy: 0.6046138361740747
Energy: 0.6047483391422185
Energy: 0.60580687817171
Energy: 0.6194546040710474
Energy: 0.6043876789125688
Energy: 0.7205488114359034
Energy: 2.4273325269272537
Energy: 0.5836390737002787
Energy: 1.575086782554293
Energy: 2.438244618186075
Energy: 0.5837984279492672
Energy: 0.6301737038293082
Energy: 0.5834281880317829
Energy: 0.5833940156341704
Energy: 0.5886982967804522
Energy: 0.5844727480837644
Energy: 1.541082582255465
Energy: 0.6306475135748134
Energy: 0.6448477032424859
Energy: 0.598556515990927
Energy: 0.5953872829693271
Energy: 2.550668522512516
Energy: 0.590154757812418
Energy: 0.6288080988366352
Energy: 2.6112528048740025
Energy: 1.5307108933139788
Energy: 2.9376833983436565
Energy: 2.672513201562842
Energy: 0.5859833393604419
Energy: 0.6383963778703851
Energy: 2.572399547972602
Energy: 2.547162816923377
Energy: 0.6027458199707745
Energy: 0.5999553265371917
Energy: 0.5982071526897076
Energy: 0.6358068872749547
Energy: 0.595823000743015
Energy: 0.594783231971209
Energy: 0.5991497753870157
Energy: 0.5955095857749728
Energy: 0.5952746370869987
Energy: 0.6379622688157026
Energy: 2.470348418622318
Energy: 1.588041906309339
Energy: 0.5957275065977502
Energy: 2.4307288681999175
Energy: 0.5968872528419857
Energy: 0.745834808423987
Energy: 0.5998402873858282
Energy: 0.6003064308705477
Energy: 0.5974431283958566
Energy: 0.5997150213966526
Energy: 1.5080682043020275
Energy: 0.7411093658674945
Energy: 1.510558530730147
Energy: 1.5284372011887026
Energy: 0.5992947958279209
Energy: 0.60241742422777
Energy: 0.5978812314547863
Energy: 0.7577158906401933
Energy: 0.5984292587382385
Energy: 0.5968665040388152
Energy: 0.6029698469703667
Energy: 0.6016143533819271
Energy: 0.5943638220532452
Energy: 0.8888119321106386
Energy: 1.6733085969857884
Energy: 2.546221611446728
Energy: 0.5843032517866877
Energy: 1.599855349085492
Energy: 2.507106420497456

minimum gb energy = 0.5833940156341704 eV
minimum distance =  0.901444607512496 Angstroms
sigma value = 19


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

Energy: 0.7759387618597955
Energy: 0.551262962624213
Energy: 0.5488564373800299
Energy: 0.6577234037956798
Energy: 2.940770992005398
Energy: 0.6572535410597644
Energy: 0.7598703461029432
Energy: 0.5345962190334096
Energy: 0.5349299962446843
Energy: 2.8749338607479054
Energy: 0.5497071732810779
Energy: 2.874017330050885
Energy: 5.052193156798129
Energy: 0.5517100841836741
Energy: 0.535716639075902
Energy: 4.989729453085105
Energy: 0.5680862269904213
Energy: 0.5353361926700698
Energy: 0.6575114809736774
Energy: 0.535299998219627
Energy: 5.015517292578991
Energy: 0.5490793674238819
Energy: 0.5344212138364717
Energy: 4.991766978692691
Energy: 0.6618439036331786
Energy: 2.6830040769918977
Energy: 2.7259986530928466
Energy: 0.553841116671135
Energy: 2.672769376150454
Energy: 0.5564328287691913
Energy: 0.6603584674174352
Energy: 0.5163207092676168
Energy: 2.6832563948399066
Energy: 0.5677839682333191
Energy: 0.5150211472917315
Energy: 2.6763723315646186
Energy: 0.6617565140635993
Energy: 0.5552455560331557
Energy: 0.553286299559793
Energy: 0.5728118427900022
Energy: 0.5233835516103871
Energy: 0.5540023393894238
Energy: 0.6443130994666147
Energy: 0.5179730129980702
Energy: 0.5176192171475742
Energy: 2.8627272696563537
Energy: 0.5168225260843394
Energy: 0.5172096755370486
Energy: 0.5683862895191315
Energy: 0.5155229005910597
Energy: 0.5157376105157523
Energy: 0.5345695820306677
Energy: 0.5160594871858392
Energy: 0.515872355988558
Energy: 0.5680996829182784
Energy: 0.5366384789657973
Energy: 0.5360701390060391
Energy: 0.5685804039006096
Energy: 0.5373970472036859
Energy: 0.536083417513948
Energy: 0.5674372467329707
Energy: 0.5478658725145028
Energy: 0.5474585172179715
Energy: 0.5514198269474896
Energy: 0.547932301862711
Energy: 5.042323461271625
Energy: 0.6618045783824078
Energy: 0.5550303645816913
Energy: 0.5528654070516598
Energy: 0.5518382094623867
Energy: 0.5559338569925283
Energy: 0.5357472464756723
Energy: 0.5510310811868206
Energy: 0.550254872329192
Energy: 2.6829813708746193
Energy: 0.5156513053778092
Energy: 0.5501479868141004
Energy: 2.756313914532987
Energy: 0.661647299858505
Energy: 0.573836714369248
Energy: 0.5537432900343222
Energy: 0.5556484434353849
Energy: 0.5728903195327403
Energy: 0.5536759072915899
Energy: 0.75940905302543
Energy: 2.8391682826447644
Energy: 2.848041801649685
Energy: 0.5161380569945714
Energy: 0.5343444329282865
Energy: 0.5160743196650932
Energy: 0.7586777816952011
Energy: 2.862169328240053
Energy: 0.517201696542045
Energy: 0.5146834277288604
Energy: 2.862517047634093
Energy: 0.5168281944289305
Energy: 0.6623436753090701
Energy: 0.5517126423571275
Energy: 0.5358990850627562
Energy: 0.5555250858878794
Energy: 0.5530898362626406
Energy: 0.5371030391426153
Energy: 0.6582804684158721
Energy: 0.5346847003901287
Energy: 0.5349215851881943
Energy: 0.5481088785373672
Energy: 0.5524414312052898
Energy: 4.984833263984909
Energy: 0.6595074494059522
Energy: 0.5524121453590586
Energy: 0.5356303223354852
Energy: 0.5490806793848071
Energy: 0.5523762895450454
Energy: 0.5358484076420842
Energy: 0.6615917258382212
Energy: 0.5166791718093166
Energy: 2.66302303378041
Energy: 0.5535662842033852
Energy: 0.5148294674194718
Energy: 2.8070973794719865
Energy: 0.6627715832355967
Energy: 2.7337384661954633
Energy: 0.5552555959612271
Energy: 0.572658601799789
Energy: 2.699220052843409
Energy: 0.5516069301871825
Energy: 0.6616091419606269
Energy: 2.858814258153936
Energy: 2.854199137822514
Energy: 0.5724337483102907
Energy: 2.8516753881456456
Energy: 0.5569246337798998
Energy: 0.5574935482338726
Energy: 0.5169998020048537
Energy: 0.5158849030802398
Energy: 2.9092511011488633
Energy: 0.5150347346954081
Energy: 0.5166532964874826
Energy: 0.5697693286007797
Energy: 2.8639095081984896
Energy: 2.8575835932600406
Energy: 0.551663354959223
Energy: 0.5165319637575844
Energy: 2.8441708401744954
Energy: 0.5685708906527525
Energy: 2.7926862097124645
Energy: 0.535436694845329
Energy: 0.5680399547772002
Energy: 2.789479783756278
Energy: 0.5358603775488682
Energy: 0.6469981697284399
Energy: 0.5491101153200797
Energy: 0.5478870547034638
Energy: 0.5347442738631678
Energy: 0.5485497208681837
Energy: 5.010895984536855
Energy: 2.681896293579282
Energy: 0.553182721224534
Energy: 0.5553399342500334
Energy: 2.7029445147754023
Energy: 0.5531555179722949
Energy: 0.5597870189977707
Energy: 0.5560251084522333
Energy: 0.5500889456605984
Energy: 2.6966289558431162
Energy: 0.5169930583789095
Energy: 0.5674132918243179
Energy: 2.669108115003869
Energy: 0.6460500363831867
Energy: 0.5695293867222371
Energy: 0.5549096464924298
Energy: 0.5235868135905934
Energy: 0.5679794564019751
Energy: 0.5529865767457229
Energy: 0.7575180174307214
Energy: 2.8562829590367538
Energy: 0.5167167538962305
Energy: 0.5172944294648226
Energy: 2.8372653521609656
Energy: 0.5167837990960965

minimum gb energy = 0.5146834277288604 eV
minimum distance =  2.56644616965318 Angstroms
sigma value = 27


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

Energy: 0.6749087138941489
Energy: 0.5744119656445111
Energy: 0.5744091393273887
Energy: 0.5714118289490668
Energy: 2.3664609624124444
Energy: 0.5745347141483559
Energy: 0.6199396683200722
Energy: 0.5549076452655071
Energy: 0.5564262409777319
Energy: 1.9244590554960976
Energy: 0.5543804870327991
Energy: 1.9614398381168265
Energy: 1.8430647800905526
Energy: 0.5541438563242237
Energy: 0.5549809148554821
Energy: 1.8454752075600653
Energy: 0.5561594943198261
Energy: 0.5466767610732766
Energy: 1.979202469858893
Energy: 0.555674175110817
Energy: 0.5551853456345143
Energy: 3.2282799431439084
Energy: 0.5549281656216516
Energy: 0.5562579383353711
Energy: 0.6723434267655426
Energy: 0.5236087405705713
Energy: 1.9654779267349507
Energy: 0.5573799097464158
Energy: 0.5261701682248899
Energy: 1.9085742347129044
Energy: 0.5734877469328105
Energy: 0.5254357146509597
Energy: 0.5250907659510857
Energy: 0.5540500168504922
Energy: 0.5282954690930314
Energy: 0.5241953234601155
Energy: 0.5725488668135973
Energy: 0.5510507468107431
Energy: 0.5474674589048709
Energy: 0.5546449202436445
Energy: 0.551389331739631
Energy: 0.5560776590667589
Energy: 0.5713085602639145
Energy: 0.5564688920336252
Energy: 0.5483271368032774
Energy: 0.5549010984475489
Energy: 0.555968649530996
Energy: 0.5574975555875803
Energy: 0.6213825100896745
Energy: 0.5431361091749831
Energy: 3.3139559273232493
Energy: 0.5547730942006788
Energy: 0.5533781095041651
Energy: 3.3101135599475526
Energy: 1.8486686283513232
Energy: 0.5413735425355425
Energy: 0.5379731348572255
Energy: 1.8515289515129052
Energy: 0.5433742568484567
Energy: 0.5386621479920052
Energy: 1.8698805887262697
Energy: 0.5523826417472961
Energy: 0.5523375847249028
Energy: 1.839524306366252
Energy: 0.5512277816434956
Energy: 0.5523013985493694
Energy: 2.16956787152719
Energy: 0.5524731843062488
Energy: 0.5491258537994502
Energy: 1.9659368715053072
Energy: 0.5423226879942725
Energy: 1.9678828794813905

minimum gb energy = 0.5236087405705713 eV
minimum distance =  0.90106029011201 Angstroms
sigma value = 9


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

Energy: 2.424087341038371
Energy: 2.1022588622211535
Energy: 0.5048585597656181
Energy: 2.4145789595327987
Energy: 3.235615998222798
Energy: 0.492671127581889
Energy: 1.5120409421009868
Energy: 0.4990458009177624
Energy: 0.5146839968746066
Energy: 1.2917851390671944
Energy: 0.4984015089859393
Energy: 1.4162529914956832
Energy: 0.5390288349395528
Energy: 0.4990503581452939
Energy: 0.5023524859990274
Energy: 0.5112392074291768
Energy: 0.49642679149438385
Energy: 0.49942065974215555
Energy: 0.5382648181891388
Energy: 0.49085410660294276
Energy: 0.4883856364817795
Energy: 0.5045377473766106
Energy: 0.4965543147895288
Energy: 0.5068999490569012
Energy: 0.6510019494973999
Energy: 0.5149363414119533
Energy: 0.5068354648146686
Energy: 0.506666195113954
Energy: 1.275017744484023
Energy: 1.3565892601685323
Energy: 0.5097301114403623
Energy: 0.5213050874907114
Energy: 2.2446333669535163
Energy: 1.4515274198604116
Energy: 0.5055795121004183
Energy: 2.0871226354751347
Energy: 0.5065893082123231
Energy: 0.49060332776972637
Energy: 0.5028983988685082
Energy: 0.5058625174413887
Energy: 0.4858278497506462
Energy: 0.5194566840905156
Energy: 0.5171145562351146
Energy: 0.5119441665066995
Energy: 2.0308578205380297
Energy: 0.5153491829075673
Energy: 0.5052181108135106
Energy: 2.094570723336016
Energy: 0.7045319348398524
Energy: 0.5194847751818928
Energy: 0.5132780163888367
Energy: 0.504897958590028
Energy: 2.0388723832291586
Energy: 0.5117850091850452
Energy: 0.5103665542351055
Energy: 1.2671887167551987
Energy: 1.27926386385483
Energy: 0.5094353893777077
Energy: 0.4955349579536944
Energy: 0.5005590130016608
Energy: 0.5104406532269892
Energy: 0.5071011391319875
Energy: 1.274987347723353
Energy: 0.507370299102097
Energy: 0.5057285104543814
Energy: 1.2752650894265856
Energy: 2.2357630668839246
Energy: 0.5069694708356878
Energy: 0.5082777229055955
Energy: 0.5036715075151905
Energy: 0.5072649114169356
Energy: 0.5171296017859232
Energy: 2.2573427874790015
Energy: 2.4244125671232815
Energy: 0.512249005967913
Energy: 2.1897301426405846
Energy: 2.4555048565775524
Energy: 0.5066817563778467
Energy: 0.621642305863522
Energy: 0.5154211631963307
Energy: 0.5034119266709622
Energy: 0.5025945532943421
Energy: 0.5060598232172167
Energy: 0.5034313009708115
Energy: 0.5093660239861436
Energy: 0.4936523407057594
Energy: 0.49921730960419797
Energy: 0.4996360507546233
Energy: 0.4980489956216151
Energy: 1.2943465358709314
Energy: 0.5077059238386368
Energy: 0.4994662448879633
Energy: 0.5001134139965175
Energy: 0.49661212987191306
Energy: 0.5128434457094363
Energy: 0.49816006823581177
Energy: 0.5096203703792554
Energy: 0.4856051459603439
Energy: 0.5040475648006137
Energy: 0.4993614841420064
Energy: 2.0429848230722176
Energy: 2.0912497155298686
Energy: 0.5694448440685745
Energy: 0.5151139338199383
Energy: 2.0466795027824283
Energy: 2.177641108026623
Energy: 0.5091082760947854
Energy: 2.1909321768809087
Energy: 0.5373323417825365
Energy: 0.4978421974980657
Energy: 0.5000843295193428
Energy: 0.48910230326853066
Energy: 0.4951894803061456
Energy: 0.4958956257943077
Energy: 1.2203192184427674
Energy: 0.49202150734312333
Energy: 0.4928259048483122
Energy: 1.2097549153849247
Energy: 0.4940121402370195
Energy: 0.49325607046380426
Energy: 0.539869756234577
Energy: 0.48927796080926633
Energy: 0.4954760937953529
Energy: 0.5122711393203866
Energy: 0.4934526754641532
Energy: 0.5016914870612625
Energy: 0.5612118841559957
Energy: 2.9334490770385404
Energy: 2.118903509988155
Energy: 0.5032263848762443
Energy: 1.5255004519178013
Energy: 0.5007250909931803
Energy: 0.5705711513615911
Energy: 1.4192924992432678
Energy: 2.2033255824356046
Energy: 0.5083274594151811
Energy: 1.3943396503279526
Energy: 2.0898387514126058
Energy: 0.5389585277753725
Energy: 0.49936850785113707
Energy: 0.50280283981415
Energy: 0.5151749744218621
Energy: 0.49746328084862734
Energy: 0.5009896145553456
Energy: 2.0289615903293603
Energy: 0.5012763957138262
Energy: 0.5125767408777137
Energy: 1.366484962585944
Energy: 0.49948717792429054
Energy: 0.5289411726685478
Energy: 0.5407558799782924
Energy: 1.3402449006168637
Energy: 0.5055279684729442
Energy: 0.5119280551256671
Energy: 1.270379895991981
Energy: 0.5040212586069092
Energy: 0.4997694706340016
Energy: 0.5119896683871559
Energy: 0.5174033881658388
Energy: 1.8100554136989322
Energy: 0.5139573237402127
Energy: 2.1785822950398925
Energy: 0.5085334308844172
Energy: 1.2715517975941988
Energy: 1.3242234799420716
Energy: 0.5065312587819856
Energy: 1.2708861074826912
Energy: 0.5145912892252379
Energy: 0.5053985239815141
Energy: 0.5151952408321766
Energy: 0.5120892601233779
Energy: 0.5058850070055364
Energy: 2.0330076150693217
Energy: 0.5103411437599816
Energy: 0.611807915400448
Energy: 0.509013360966395
Energy: 2.0517216485882623
Energy: 0.4916509324117727
Energy: 0.5027888609963453
Energy: 2.1323019524109004
Energy: 0.5036005251472591
Energy: 0.5022389006787241
Energy: 0.5021457759071777
Energy: 0.5268328152034977
Energy: 0.4946227058841151
Energy: 0.5113648801558083
Energy: 2.0829552305306054
Energy: 1.3791533279751786
Energy: 1.383454726173151
Energy: 0.5091385685602516
Energy: 0.5192313226576168
Energy: 0.4990652863803962
Energy: 0.6196172422781563
Energy: 0.5094966351135318
Energy: 0.5103791323488456
Energy: 0.5034962093879183
Energy: 0.5060954549144906
Energy: 0.5047106636195374
Energy: 0.5343206652441825
Energy: 2.1075330321582246
Energy: 2.160447845065153
Energy: 0.5083281193494558
Energy: 0.5075391389571143
Energy: 0.5041860348390036
Energy: 0.5343357563765511
Energy: 0.5152945396648372
Energy: 0.5127420397101998
Energy: 0.5172049442365328
Energy: 0.5068993445073301
Energy: 2.0419549174263207
Energy: 0.6194397791061445
Energy: 0.5021759103918324
Energy: 1.2880381320992573
Energy: 0.5097941878531352
Energy: 0.5009908516590897
Energy: 0.4936928729323574
Energy: 0.5071152475032425
Energy: 1.2719102865488923
Energy: 0.49992052066254095
Energy: 0.4970705419367133
Energy: 1.2791393130536293
Energy: 0.4962964212203886
Energy: 0.5105270112822837
Energy: 2.040883767407416
Energy: 0.4999357532449035
Energy: 0.4984342796361207
Energy: 2.0589812520627535
Energy: 0.5106631685469226
Energy: 0.5059075775176752
Energy: 0.5091178855057977
Energy: 0.5089431227889836
Energy: 2.144662659636175
Energy: 0.5087432523493741
Energy: 2.1824860598232925
Energy: 0.5396870157598423
Energy: 1.3035899519226628
Energy: 2.052800097034036
Energy: 0.5002199416526105
Energy: 2.0719912114182883
Energy: 0.500801790326871
Energy: 1.2205777969544118
Energy: 0.49535596941884985
Energy: 0.5012117870786366
Energy: 1.236248664004767
Energy: 0.49380404024396707
Energy: 0.4897863705531325
Energy: 0.5384272218338583
Energy: 0.49183595142891273
Energy: 0.49307317754953206
Energy: 0.5057219861828738
Energy: 0.49053910287529995
Energy: 0.4966404744461105
Energy: 0.5606898214166086
Energy: 1.3556397388913386
Energy: 1.3599581258207667
Energy: 0.5064584222026081
Energy: 0.49888706265902166
Energy: 0.4875998733267198

minimum gb energy = 0.4856051459603439 eV
minimum distance =  2.52811650739477 Angstroms
sigma value = 57


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

Energy: 0.23519165094497416
Energy: 0.23936240613518045
Energy: 0.2566970172470263
Energy: 0.23570833523061013
Energy: 3.97374244486538
Energy: 0.2367431587074866
Energy: 0.23737230105203005
Energy: 0.24349456886298906
Energy: 0.2446538403573167
Energy: 3.9725534121808144
Energy: 0.24407951759704602
Energy: 3.900345904571707
Energy: 0.3006327564919918
Energy: 0.2441271733169424
Energy: 0.2471235551449753
Energy: 0.2630364746616476
Energy: 0.26360543176397466
Energy: 0.25421379826125684
Energy: 0.30007052622609004
Energy: 0.24559853289717895
Energy: 0.2445080097378905
Energy: 0.2643203150853386
Energy: 0.26294451205104064
Energy: 0.25828263680406444
Energy: 0.29939408231015036
Energy: 0.2351993457667859
Energy: 0.2434097895177159
Energy: 0.2638606522814736
Energy: 0.23497655281613417
Energy: 3.924058912591165
Energy: 0.26840358446079887
Energy: 0.2378494449983214
Energy: 0.2350690441460116
Energy: 4.009438698209667
Energy: 0.2377616323494837
Energy: 0.24030170100464085
Energy: 0.2646349721822332
Energy: 0.24287789092999024
Energy: 0.25280947512281515
Energy: 0.2614241780995934
Energy: 0.24161151935584985
Energy: 0.2528177710973425
Energy: 0.2677887751479224
Energy: 0.24518283955276549
Energy: 0.2588230479514562
Energy: 0.2643718759705318
Energy: 0.24477897646646007
Energy: 0.2582026393047194
Energy: 0.29898939618788
Energy: 0.25738792675529265
Energy: 0.2539757695356202
Energy: 0.26323745330944964
Energy: 0.2616082675720612
Energy: 0.2541992720947086
Energy: 0.23607037200992506
Energy: 4.038916159164617
Energy: 0.23590129711022004
Energy: 0.23488990862384349
Energy: 3.9199859656327707
Energy: 0.24078597178632072
Energy: 0.23625315016743062
Energy: 3.927463027215107
Energy: 3.9424315961115504
Energy: 0.23432730490520737
Energy: 3.903437841140438
Energy: 0.2427713046022082
Energy: 0.29992614399132933
Energy: 0.26957861567698865
Energy: 0.25179034777824677
Energy: 0.24569751904797565
Energy: 0.2626734063010604
Energy: 0.24420717093233318
Energy: 0.4750668005323956
Energy: 0.259389517403429
Energy: 0.253144975326757
Energy: 0.25770086309099854
Energy: 0.24601834281458454
Energy: 0.24475044598515908
Energy: 0.29898483499778766
Energy: 3.9419861628993234
Energy: 3.9190510160701053
Energy: 0.2625503777109953
Energy: 3.9197596427324397
Energy: 0.25373492454740726
Energy: 0.24700125860292604
Energy: 0.23400535114736432
Energy: 0.23624027026323793
Energy: 3.9646568042320816
Energy: 0.23426998791520837
Energy: 0.24698929961715996
Energy: 0.26631764055574914
Energy: 3.889471409351428
Energy: 3.894947940086385
Energy: 0.26316681270479897
Energy: 0.2343768190297468
Energy: 3.9794383876653496
Energy: 0.2700392028075088
Energy: 0.25436158810950454
Energy: 0.2535785802805806
Energy: 0.26354338383201187
Energy: 0.2617677061578587
Energy: 0.2556284392619434
Energy: 0.30286932980033854
Energy: 0.24475785604874542
Energy: 0.2649328812194126
Energy: 0.2948148884413607
Energy: 0.2582104696989936
Energy: 0.2601781206099971
Energy: 0.2370136568302086
Energy: 3.9094607880883183
Energy: 4.129688517128314
Energy: 0.23426980090116498
Energy: 0.24271603256052665
Energy: 3.9462922067525166

minimum gb energy = 0.23400535114736432 eV
minimum distance =  0.887260571453538 Angstroms
sigma value = 11


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

Energy: 0.6995898625573072
Energy: 1.759906308305512
Energy: 0.42386365289525646
Energy: 0.4344471052812652
Energy: 3.129996058245571
Energy: 2.211407315126683
Energy: 1.250310123919198
Energy: 0.44274099834412034
Energy: 0.44392795010371683
Energy: 1.827450902040999
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Energy: 1.1049145024768108
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Energy: 0.4341032507601674
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Energy: 0.45061920623209356
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Energy: 0.4252743214578083
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Energy: 0.43806899482243594
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Energy: 0.4323150391238979
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Energy: 1.088096534317372
Energy: 0.709940470536129
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Energy: 0.43272227852337813
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Energy: 0.43467290334633846
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Energy: 0.7133503560271157
Energy: 1.092812572991152
Energy: 1.1350259080177731
Energy: 0.4387419749780636
Energy: 0.42863279124056747
Energy: 0.4245522195308467
Energy: 0.44802336547338445
Energy: 0.43273860503120026
Energy: 0.43091115175865535
Energy: 1.35671452532718
Energy: 0.43512728898581365
Energy: 2.1336371218798913
Energy: 0.4497878270893891
Energy: 1.1048808371725407
Energy: 0.43405504302148584
Energy: 0.445633407245562
Energy: 1.117078012256337
Energy: 0.4328214833442166
Energy: 0.4397406650417065
Energy: 0.44299678607017434
Energy: 0.43671264869133053
Energy: 0.4328766985704101
Energy: 0.4344378369271761
Energy: 0.43125825424760056
Energy: 0.45358697058556136
Energy: 0.4381113629074146
Energy: 0.43973251326072454
Energy: 0.43745014895280643
Energy: 0.43640977059666114
Energy: 0.4366666634706074
Energy: 2.0606156597841347
Energy: 1.1299356076132236
Energy: 2.4882125228626646
Energy: 1.7847302004861774
Energy: 1.1300104818387742
Energy: 1.7569079750806111

minimum gb energy = 0.42386365289525646 eV
minimum distance =  0.883460368714319 Angstroms
sigma value = 41


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

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Energy: 2.8656080546776557
Energy: 2.938046877905344
Energy: 0.46916694485896177
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Energy: 0.46606466468579094
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Energy: 0.4796977006813212
Energy: 0.5944988108100944
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Energy: 2.5502673172032893
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Energy: 0.47810456220409664
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Energy: 0.4748402081143014
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Energy: 0.4778992529168014
Energy: 0.5307294251206707
Energy: 1.561061640017902
Energy: 1.499688007585356
Energy: 0.4749631134406975
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Energy: 0.4690398960285176
Energy: 1.5535006982588067
Energy: 0.46674703763641945
Energy: 0.4680141545217999
Energy: 0.4737269631640171
Energy: 0.4668783569209242
Energy: 0.4744828178344216
Energy: 0.6777679407189012
Energy: 0.478252624373923
Energy: 0.47717816559598103
Energy: 0.4626183194155978
Energy: 0.479521477997864
Energy: 2.5438709009211107
Energy: 0.6842182507984248
Energy: 0.4676244491101353
Energy: 2.5275173376215787
Energy: 0.4697794787768791
Energy: 0.4681197588539346
Energy: 2.5499211892960387
Energy: 0.6608344724041456
Energy: 0.46666734241061336
Energy: 1.5228234145373098
Energy: 0.48015215207266637
Energy: 0.467322501733314
Energy: 1.519904259862699
Energy: 0.5846428527824828
Energy: 0.4656165585200034
Energy: 0.4657500165304672
Energy: 1.7209852863555986
Energy: 2.5834122355819815
Energy: 0.49419910628054003
Energy: 0.516594181602573
Energy: 0.47929160577750596
Energy: 0.4784291785261775
Energy: 0.47906901012110636
Energy: 0.4799996269682627
Energy: 0.47785917444340564
Energy: 0.481967541506647
Energy: 0.4721682320823442
Energy: 0.46432122634743367
Energy: 0.46506174778391923
Energy: 1.6255047177069637
Energy: 0.4611342130450952
Energy: 0.4921341521184465
Energy: 0.47342065867690925
Energy: 0.46911513209938177
Energy: 0.46843144808541115
Energy: 0.4688419661542442
Energy: 0.4655679995546692
Energy: 0.606478994962415
Energy: 1.5288669578231866
Energy: 0.48478072672580824
Energy: 0.4587080291672255
Energy: 1.5541767893760852
Energy: 2.5812212891040325

minimum gb energy = 0.45367809730845804 eV
minimum distance =  0.873314867324041 Angstroms
sigma value = 33


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

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Energy: 0.5017844225039241
Energy: 0.500507626915472
Energy: 0.5178612647582886
Energy: 2.40901652349313
Energy: 0.5024035937667928
Energy: 0.573381540115114
Energy: 0.5108301054461869
Energy: 0.5274340902602436
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Energy: 0.5025133859120435
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Energy: 0.5005896535186453
Energy: 3.4694071939963695
Energy: 2.1071027275432916
Energy: 0.5000437453444175

minimum gb energy = 0.47987251072737785 eV
minimum distance =  2.5231775069529 Angstroms
sigma value = 67


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

Energy: 0.682706105754507
Energy: 0.4891400815079815
Energy: 0.4869039795282295
Energy: 0.4901925100637354
Energy: 3.027471127196128
Energy: 0.48735231552697456
Energy: 0.6131500960510937
Energy: 0.5332463921274869
Energy: 0.5295709954636117
Energy: 3.1317785202014092
Energy: 0.5300486551496875
Energy: 3.052300163183313
Energy: 0.5629394311426724
Energy: 0.49309780308071866
Energy: 2.8353770604103055
Energy: 0.509011568216351
Energy: 0.4911692357962705
Energy: 2.8415206629410634
Energy: 0.5689866154212709
Energy: 2.8230472519061345
Energy: 0.5213454404596826
Energy: 0.5354181098162802
Energy: 2.835996680534183
Energy: 0.5222001642009823
Energy: 0.565602478536812
Energy: 2.906515508853871
Energy: 0.5308328087758308
Energy: 0.5660041492834078
Energy: 5.3505335182161335
Energy: 0.5301827096023358
Energy: 0.565530559320854
Energy: 0.502177980363705
Energy: 5.336712171205662
Energy: 0.5640387475549868
Energy: 0.5031720891355667
Energy: 2.902178215008929
Energy: 0.6136492114843647
Energy: 0.5301106440492821
Energy: 2.9495469390388833
Energy: 0.5150605995980121
Energy: 0.529548472675925
Energy: 3.0760995936038205

minimum gb energy = 0.4869039795282295 eV
minimum distance =  0.860409830184864 Angstroms
sigma value = 3


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

Energy: 0.811150422121721
Energy: 1.9313237186875956
Energy: 0.6384015522876377
Energy: 0.6476073883473072
Energy: 2.6859118386637064
Energy: 1.9262017461829715
Energy: 1.661851573653996
Energy: 0.6032528786258516
Energy: 0.601358702528688
Energy: 2.2810139593888095
Energy: 0.6046349048070485
Energy: 0.974581980533794
Energy: 0.6364427152286242
Energy: 0.611794966853632
Energy: 0.622265708929397
Energy: 0.628647556918092
Energy: 0.612325249880412
Energy: 0.9685790909792465
Energy: 0.5959936110469863
Energy: 0.9711952527578467
Energy: 0.9758566584992081
Energy: 0.5964080053252386
Energy: 0.6111809861730432
Energy: 0.6106775168680363
Energy: 0.5996519656729559
Energy: 0.5951182226917479
Energy: 0.5935168674297835
Energy: 0.5988743255862145
Energy: 0.5953005964520437
Energy: 0.5939022648216902
Energy: 0.6143193427314283
Energy: 0.5965411844779682
Energy: 0.5949988305084587
Energy: 0.5936503575132565
Energy: 0.5941833748871436
Energy: 0.5906471833991751
Energy: 1.3074475389264626
Energy: 0.6212702701816101
Energy: 0.6157833069238843
Energy: 1.6032472603674155
Energy: 0.6264844693626733
Energy: 0.613838344217924
Energy: 0.7558274694523138
Energy: 1.5894689302538523
Energy: 0.6215802136317532
Energy: 0.6302628730561235
Energy: 1.8081981654486827
Energy: 1.9425441477310403
Energy: 0.5985441027566053
Energy: 0.595012605744267
Energy: 0.6006680274071773
Energy: 0.60029843651857
Energy: 0.5977263033359033
Energy: 0.61184308037263
Energy: 0.6711548706694082
Energy: 0.6359355649914105
Energy: 0.6381784024658821
Energy: 0.9712632617900904
Energy: 0.6293168733051048
Energy: 1.9437459598614253
Energy: 0.6262850243889374
Energy: 1.9541700588899569
Energy: 0.6156348437721649
Energy: 0.6214333962961904
Energy: 1.9361279985420639
Energy: 0.9711499546746519
Energy: 0.9747324709010423
Energy: 0.5955336721821722
Energy: 0.5918009754075352
Energy: 0.9497248908895944
Energy: 0.5937323276851001
Energy: 0.593024443286222
Energy: 0.6505089744357355
Energy: 0.5910025455690878
Energy: 0.5909595878174034
Energy: 0.5822254507471117
Energy: 0.5922497221145835
Energy: 0.5943557039224951
Energy: 0.6225115197609231
Energy: 0.5964267213867949
Energy: 0.6046538850093248
Energy: 0.5971803170257207
Energy: 0.593852480129911
Energy: 0.6026664091879438
Energy: 0.6807048489510089
Energy: 0.6335664744821087
Energy: 0.6439313213829094
Energy: 0.5981628567196642
Energy: 0.6324760083835259
Energy: 1.5990401406562222
Energy: 0.6298597837287636
Energy: 0.6039619039080594
Energy: 0.606442646207996
Energy: 0.6299960906014294
Energy: 0.6210782902578017
Energy: 0.6104236611381061
Energy: 0.7230391056402201
Energy: 0.6126702583723961
Energy: 0.6260611601892753
Energy: 1.6844012005545956
Energy: 0.6145852518406381
Energy: 1.9189734134612761
Energy: 0.6161406378271342
Energy: 0.6171216996949537
Energy: 1.6194794070694354
Energy: 0.605825393285508
Energy: 1.9252044832004234
Energy: 1.6178926575178358
Energy: 2.022061760710737
Energy: 0.9686678167222627
Energy: 0.9930189733600393
Energy: 1.9594864665792375
Energy: 0.6311969701074776
Energy: 0.6327202298351524
Energy: 0.7255230629699508
Energy: 0.9963387822161064
Energy: 0.9867103922526123
Energy: 1.6171043238947178
Energy: 0.6206655695293316
Energy: 0.6082887307730709
Energy: 0.6168769108098713
Energy: 0.5902165891121963
Energy: 0.5887780175134092
Energy: 0.5967550140102309
Energy: 0.6035769002014882
Energy: 0.5852376849792692
Energy: 0.6297420760414543
Energy: 0.5880310376359627
Energy: 0.5865004289765737
Energy: 0.588964414376188
Energy: 0.590143205192682
Energy: 0.5816014613299638
Energy: 0.6074278165637694
Energy: 0.5925942080440048
Energy: 0.5964010939967858
Energy: 0.6017815710840988
Energy: 0.5849524940839624
Energy: 0.6045052495159785
Energy: 0.6180227711422345
Energy: 0.6381743877120821
Energy: 0.6372800889369807
Energy: 0.6041569876274198
Energy: 0.6293472900427091
Energy: 1.6101279016779144
Energy: 0.5988429314843691
Energy: 0.6234412380433842
Energy: 0.6155794314323794
Energy: 0.6045841527651247
Energy: 0.6076997247316872
Energy: 0.6177629058389855
Energy: 0.7972176603231006
Energy: 1.9113659829649283
Energy: 1.909932106346148
Energy: 1.9826130994237936
Energy: 0.5752687562461428
Energy: 0.6042558910719336
Energy: 1.687064677776276
Energy: 1.9396667468838242
Energy: 1.9203251709102636
Energy: 1.6631062660877571
Energy: 0.5742080820598561
Energy: 0.608344029786817
Energy: 0.6001737558739891
Energy: 0.6210560718407736
Energy: 0.6133023409331159
Energy: 0.5998177689763925
Energy: 0.614047716518434
Energy: 0.6086680205796113
Energy: 0.6091986785987398
Energy: 0.6171758515302926
Energy: 0.6229395381207623
Energy: 0.6021695164918104
Energy: 0.6146616907230714
Energy: 0.9487779133520272
Energy: 0.5919852701852656
Energy: 0.6109755128328557
Energy: 0.5958419751519395
Energy: 0.590407710240304
Energy: 0.5819602774198122
Energy: 0.598947218362607
Energy: 0.6257508771457729
Energy: 0.6110131432068191
Energy: 0.6095823083036063
Energy: 0.6013668149124819
Energy: 0.6073350025655747
Energy: 0.605692234031806
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Energy: 0.6127982840296786
Energy: 0.6102082350516002
Energy: 0.6007824137535249
Energy: 0.6235281543519752
Energy: 0.6090300454631267
Energy: 0.7750270238803866
Energy: 1.5914238757551786
Energy: 1.596023517338278
Energy: 0.6292910413740487
Energy: 1.5914403906343955
Energy: 0.6197567288926805
Energy: 0.984638591156346
Energy: 0.594940097721085
Energy: 1.6078720218812022
Energy: 1.0184434502314854
Energy: 0.5954717401702846
Energy: 1.264249091539912
Energy: 0.6074182651080735
Energy: 1.9098377596929472
Energy: 0.6046791303118145
Energy: 0.6028105656926365
Energy: 1.9683115208316702
Energy: 0.9642589227346264
Energy: 0.6552339730056076
Energy: 0.6290522258173936
Energy: 0.6307764286127847
Energy: 1.0282234045239773
Energy: 0.6289706814766653
Energy: 1.6147106715839596
Energy: 0.6403410234137373
Energy: 0.5962732295327099
Energy: 0.6008150691417802
Energy: 0.6223492223309344
Energy: 0.5956639893333976
Energy: 0.6022164401640182
Energy: 0.7024067867956286
Energy: 0.5936191428216575
Energy: 0.5967783334180197
Energy: 0.582117863382482
Energy: 0.5957225581655899
Energy: 0.9173108404817016
Energy: 0.6228903371466702
Energy: 0.5959527991153102
Energy: 0.5905226063579095
Energy: 0.6111800826989633
Energy: 0.593377582708496
Energy: 0.5961032916146393
Energy: 0.6787871205222871
Energy: 0.6235983617327059
Energy: 0.6258804740223447
Energy: 0.5985720038180931
Energy: 0.6216753132099787
Energy: 1.5757935667602456
Energy: 1.6506006466960668
Energy: 0.6259807365242581
Energy: 0.6144344593638975
Energy: 1.6593389451714666
Energy: 0.6295661001876184
Energy: 0.6162781625549597
Energy: 0.6285689379829548
Energy: 1.9510814836084174
Energy: 1.9203922313114725
Energy: 0.5830775971561243
Energy: 0.613252106930083
Energy: 1.6485951623721102
Energy: 0.6777223709679276
Energy: 0.6110309207602725
Energy: 0.6221663250682502
Energy: 1.6246113943111054
Energy: 0.6140295418272707
Energy: 1.5853473521058803
Energy: 0.981762197082923
Energy: 0.5986271940129503
Energy: 0.6033545364558568
Energy: 0.5886407375992924
Energy: 0.6218740441606901
Energy: 0.6124564860407595
Energy: 0.8202193287112978
Energy: 0.9630631212041755
Energy: 0.6443925323298176
Energy: 0.6351211049646787
Energy: 1.0726320917046843
Energy: 1.9211660635825232
Energy: 0.6057588112848209
Energy: 0.6038158272470143
Energy: 0.6046841792646035
Energy: 0.9697474423356198
Energy: 0.6025621853067725
Energy: 0.6050783893981752
Energy: 0.6213570554415748
Energy: 0.5777444753106975
Energy: 0.5755054245470091
Energy: 0.5828900610997816
Energy: 0.5826352757300953
Energy: 0.5748236145747916
Energy: 0.6085431524595344
Energy: 0.5807679693686009
Energy: 0.5789060658203553
Energy: 0.6016464040655727
Energy: 0.5839140225528718
Energy: 0.578381211875489
Energy: 0.6131803788916188
Energy: 0.6155896653103019
Energy: 1.6206496482498942
Energy: 0.6104433361248481
Energy: 0.607229868288624
Energy: 1.632815308299463
Energy: 0.6287982736920704
Energy: 0.6280644476485865
Energy: 0.6307838638910368
Energy: 0.6246872217226433
Energy: 0.6345936941282045
Energy: 1.6507061735048794
Energy: 1.6694657761856024
Energy: 0.5792909040796426
Energy: 0.9625861775201671
Energy: 1.9454466726795037
Energy: 0.5852146070588684
Energy: 0.9888055203230114

minimum gb energy = 0.5742080820598561 eV
minimum distance =  0.926785000169995 Angstroms
sigma value = 81


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

Energy: 0.9979267531176952
Energy: 0.646950786750051
Energy: 0.6282495124595007
Energy: 0.6745697733599404
Energy: 2.0778877563704445
Energy: 0.6448391867863663
Energy: 0.5765937966307338
Energy: 0.5756581524268103
Energy: 0.578012345937734
Energy: 2.0081437917313343
Energy: 0.5738552391716084
Energy: 1.952196469225413
Energy: 0.6314245474842612
Energy: 0.5575629050767337
Energy: 0.5578496968384531
Energy: 0.5920448959290736
Energy: 0.5548275594541847
Energy: 2.1172452407256115
Energy: 0.6178807687910232
Energy: 0.5605222380003673
Energy: 1.8775554106680528
Energy: 0.5684613588093392
Energy: 0.5590845229567518
Energy: 1.8692733328059445
Energy: 0.6188002830744797
Energy: 0.6059509154262592
Energy: 0.6051550924707059
Energy: 0.5713001853565632
Energy: 0.6050925896722945
Energy: 0.574871884669286
Energy: 0.648558213831736
Energy: 0.6041428207943719
Energy: 0.6074003915248853
Energy: 0.6361687120349763
Energy: 0.6042667868630103
Energy: 0.6049994660780199
Energy: 4.018586671308439
Energy: 0.5726913601772406
Energy: 0.5733873831092996
Energy: 3.555341640189316
Energy: 0.5739252972673972
Energy: 0.6205947484927388
Energy: 0.7003684601013477
Energy: 3.9452578447998343
Energy: 3.9612446455080397
Energy: 0.6022125002280259
Energy: 0.6704273668588163
Energy: 0.602430865949568
Energy: 1.3212490412832125
Energy: 0.6292274557482125
Energy: 0.6148668105399613
Energy: 1.7367513214818564
Energy: 0.627302816381947
Energy: 0.6069534909686991
Energy: 0.6721254018522008
Energy: 0.5581089748232848
Energy: 0.5582814897148004
Energy: 1.9801613431676066
Energy: 0.5598159647658433
Energy: 0.6137568307132165
Energy: 0.6269572572342229
Energy: 0.555385076526482
Energy: 0.5556449044718675
Energy: 0.5968544792280533
Energy: 0.5562600040601385
Energy: 1.949029387193904
Energy: 0.5999810635417365
Energy: 0.6232341323588305
Energy: 1.8792749122526282
Energy: 0.5796554775976436
Energy: 0.6226508196912187
Energy: 2.113220113713381
Energy: 0.5994799245207181
Energy: 1.9282049464400255
Energy: 2.1034510743235906
Energy: 0.5551687062849964
Energy: 0.6175535929558399
Energy: 0.5572620504110036
Energy: 0.6192687050782513
Energy: 0.6183480000064774
Energy: 0.6047329532364351
Energy: 0.5929727052239179
Energy: 0.6172541823866086
Energy: 0.6060171768669937
Energy: 0.7308375713933154
Energy: 0.6315618556936454
Energy: 0.6310874107952176
Energy: 0.602706111254397
Energy: 0.6343542743750987
Energy: 0.6269286632281068
Energy: 0.6168237810156941
Energy: 0.6081209316713927
Energy: 0.6092669932707929
Energy: 0.6156928703299678
Energy: 0.6031955943683762
Energy: 0.6051355050229942
Energy: 0.7084630872084146
Energy: 0.6157223823178513
Energy: 0.6147034817605302
Energy: 0.6759538891622304
Energy: 0.5754959459171334
Energy: 0.6165813342874531
Energy: 0.6103488322547002
Energy: 4.000278053894544
Energy: 1.9186496559082498
Energy: 0.6271261527497227
Energy: 4.021219899069928
Energy: 1.5229031473845955
Energy: 0.6690493898924563
Energy: 1.9711883184439802
Energy: 0.5854398512863592
Energy: 0.5550352375614309
Energy: 1.759824548836509
Energy: 0.5563075538482299
Energy: 0.6647977202624256
Energy: 1.9581191818316726
Energy: 0.5566225609918215
Energy: 0.5561756837141411
Energy: 1.9618968713300826
Energy: 0.5569164776664118
Energy: 0.6099086632051728
Energy: 1.8869178023361703
Energy: 1.8947115395274823
Energy: 0.6290922190282975
Energy: 1.8862273812016264
Energy: 0.6296182117757398
Energy: 0.6234721141178418
Energy: 0.5554443765307111
Energy: 0.5538600479258028
Energy: 0.6176252748531703
Energy: 0.5542827671363703
Energy: 0.5547375619222084
Energy: 0.6153102120810802
Energy: 0.5999745280867744
Energy: 0.6005373251305418
Energy: 0.6163969098949604
Energy: 0.5940573564497906
Energy: 0.6063483005363824
Energy: 0.6496294989369046
Energy: 0.6278164406468233
Energy: 0.6281172342426924
Energy: 0.6302407246259328
Energy: 0.6050209212638678
Energy: 0.6298973511605102
Energy: 0.6504584968329675
Energy: 0.6066779601236854
Energy: 0.6039027110717313
Energy: 0.6300989897955735
Energy: 0.6148407713717358
Energy: 0.6031384232192428
Energy: 0.7086514527968207
Energy: 0.616367247636509
Energy: 3.9712722825645006
Energy: 0.6087552209972192
Energy: 0.6146785218986309
Energy: 3.9915967123567873
Energy: 0.7077079415704899
Energy: 0.6250340508440229
Energy: 3.9863121028669024
Energy: 0.574282753298268
Energy: 0.6265984478309821
Energy: 4.0042046221205
Energy: 0.6538392992634102
Energy: 0.5561796939708669
Energy: 1.9414767095827918
Energy: 0.626286507682848
Energy: 0.5438138952016953
Energy: 1.9557060828449973
Energy: 0.6538888431920027
Energy: 0.5585198315253865
Energy: 0.6143810038267264
Energy: 1.9730333611796116
Energy: 0.5599518430997849
Energy: 0.6155339711350538
Energy: 0.6113223773598373
Energy: 1.9624288036109874
Energy: 0.616009407823493
Energy: 0.5951449526791177
Energy: 1.9936941932538026
Energy: 0.6015927435394691
Energy: 0.5975016586627412
Energy: 2.106965402541161
Energy: 2.1184754580442546
Energy: 0.5546503421778594
Energy: 0.6569857668531843
Energy: 0.5554218172609042
Energy: 2.1411057694285813
Energy: 0.5809737078682219
Energy: 0.5751882527670548
Energy: 2.1368022805664313
Energy: 0.5793516397720216
Energy: 0.608730324780487
Energy: 0.7244927965249287
Energy: 0.634109415450353
Energy: 0.6330540430197092
Energy: 0.6078269232434272
Energy: 0.6333050954550846
Energy: 0.6073222462479291
Energy: 0.6162678253205407
Energy: 0.6306407224031224
Energy: 0.6049768916866354
Energy: 0.6113892694924979
Energy: 0.6332578195003236
Energy: 0.5805964944443454
Energy: 0.6179374450657654
Energy: 3.7243873282568023
Energy: 3.688559767542112
Energy: 0.5648999401123233
Energy: 0.6088088985319856
Energy: 0.5676037970475047
Energy: 0.7412991054097343
Energy: 0.6034791248281072
Energy: 0.602241348483741
Energy: 0.6517730054006455
Energy: 0.6014543174921161
Energy: 3.7086730899967297
Energy: 2.2388270099775065
Energy: 0.5767222965225788
Energy: 0.5787142812364647
Energy: 1.7525202034239264
Energy: 0.5740211263270775
Energy: 1.9400139926819908
Energy: 0.6905976981472294
Energy: 2.003136922764846
Energy: 0.6287653735982985
Energy: 0.5593927088365932
Energy: 1.9918934823400365
Energy: 0.6452255183526024

minimum gb energy = 0.5438138952016953 eV
minimum distance =  2.52235279871651 Angstroms
sigma value = 43


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

Energy: 0.5834856129430124
Energy: 2.093149599982499
Energy: 1.8742321757794198
Energy: 0.6852997289355037
Energy: 2.286477362930142
Energy: 0.6820836172134066
Energy: 1.743763659774279
Energy: 0.5858750391559123
Energy: 0.5888080522016151
Energy: 2.2939915795628734
Energy: 0.5888688594957431
Energy: 1.1760061446689458
Energy: 0.677173880580451
Energy: 1.6893028210910306
Energy: 0.5626182827114056
Energy: 0.670879701926375
Energy: 1.7380613014558761
Energy: 1.182971338055418
Energy: 0.5831795507140894
Energy: 0.5659121124193274
Energy: 1.1649639082231373
Energy: 0.5793089541697277
Energy: 0.5658223881355954
Energy: 1.1781883439022398
Energy: 0.5788301535873572
Energy: 0.5722155842450282
Energy: 0.5728300600830187
Energy: 0.5786342013586998
Energy: 0.570943196827378
Energy: 0.5757641098739366
Energy: 0.5866495564278481
Energy: 0.5717102323686758
Energy: 0.5718557489695348
Energy: 0.5697439227167351
Energy: 0.5753075788943
Energy: 0.5712172327799478
Energy: 0.5787207416496948
Energy: 0.5788295914130269
Energy: 0.5797157039948078
Energy: 0.5790704711817443
Energy: 0.5793401300514548
Energy: 0.5802820292998745
Energy: 0.605313698342512
Energy: 0.5810334344861195
Energy: 1.7253092223717423
Energy: 0.6160026966279379
Energy: 0.5809627911352981
Energy: 1.7213222674853792
Energy: 0.5743095884608993
Energy: 0.5795158995761233
Energy: 0.5798084547029084
Energy: 0.5766495866714234
Energy: 0.5783855744862452
Energy: 0.5837977378746243
Energy: 0.5770584267559575
Energy: 1.223908025122071
Energy: 1.2487468078810566
Energy: 1.8032768703413564
Energy: 1.8112205327064517
Energy: 0.5774275231133636
Energy: 0.5657339360958215
Energy: 1.7251823004680233
Energy: 1.1930407021617113
Energy: 0.5878491759018055
Energy: 0.5938774021197761
Energy: 1.7277841237528722
Energy: 0.5778248119176506
Energy: 1.1954642138948692
Energy: 1.1990334186290177
Energy: 1.7882938240049142
Energy: 0.6106895263204155
Energy: 2.2449227673818895
Energy: 0.5786294668183053
Energy: 1.1941126921741725
Energy: 1.7595995304899987
Energy: 0.5652923457634518
Energy: 1.2038860812180576
Energy: 1.7664733574752776
Energy: 0.565555787657592
Energy: 0.605456561152946
Energy: 0.5907225829701591
Energy: 0.5857669333370141
Energy: 0.5829276878709667
Energy: 0.5893582140768578
Energy: 0.5662199744023315
Energy: 1.1380881062200456
Energy: 1.1152182682095266
Energy: 0.5873330669879854
Energy: 0.568743773125547
Energy: 0.5893863693050206
Energy: 0.5626802044892326
Energy: 0.5805106469024356
Energy: 0.5739382406434934
Energy: 0.5636936754681842
Energy: 0.5791857200042682
Energy: 0.5635368357221526
Energy: 0.5860192221581023
Energy: 1.6682600123554612
Energy: 1.7015175624928052
Energy: 0.5640554256525709
Energy: 0.5861477333263816
Energy: 0.6116523352444295
Energy: 0.5649480571608223
Energy: 0.5831507907688848
Energy: 0.5855344213129262
Energy: 0.6127030818599669
Energy: 0.5899266140684609
Energy: 0.5844411690296887
Energy: 0.5699340423974907
Energy: 1.7505918883075926
Energy: 1.7609457592748017
Energy: 0.5771991202905086
Energy: 0.5833892753283008
Energy: 1.1998897249892138
Energy: 0.569433798448819
Energy: 1.7610641015162
Energy: 2.273606331699625
Energy: 0.5793284052771351
Energy: 1.7373706035261465
Energy: 1.7966229334425499
Energy: 0.5640219550742017
Energy: 1.2188645431721434
Energy: 1.1825789494990604
Energy: 0.5814359340620551
Energy: 1.1547784727279549
Energy: 1.1842026288215892
Energy: 0.6141283433396763
Energy: 1.7785822584108297
Energy: 1.7867170841431017
Energy: 0.5854340225650955
Energy: 0.6241428508013024
Energy: 0.6539598634964721
Energy: 0.6055263261387482
Energy: 1.1639839290106255
Energy: 0.5879792593827283
Energy: 0.5836874214169608
Energy: 1.197358131028473
Energy: 0.6253061443788354
Energy: 0.6324856882715014
Energy: 0.6167964788470229
Energy: 1.1658393026029963
Energy: 0.5978909884512551
Energy: 0.6316116515630723
Energy: 1.153250114044273
Energy: 1.164957239913177
Energy: 0.5648044114943803
Energy: 0.5645323894336413
Energy: 1.1744904164226544
Energy: 0.5638565711477174
Energy: 0.5722673252299738
Energy: 0.6126893509910252
Energy: 0.5789822525835183
Energy: 0.5870151760768527
Energy: 0.5857367163807448
Energy: 0.5630329189862125
Energy: 0.586044503529058
Energy: 0.611036164553883
Energy: 0.5849943962732249
Energy: 0.5844425316071034
Energy: 0.5879166752637126
Energy: 0.5872589614784514
Energy: 0.58679797855868
Energy: 0.6103376394076245
Energy: 1.696560664471704
Energy: 1.1593733350408353
Energy: 0.5800263053430854
Energy: 1.146084229558956
Energy: 0.5834092187257331
Energy: 0.6787665805568995
Energy: 1.716089727208148
Energy: 1.7303581550624045
Energy: 0.5802580598875977
Energy: 0.6149445507869705
Energy: 0.6086679392079003
Energy: 1.2008525238566017
Energy: 0.5882915504869068
Energy: 0.5883584102633755
Energy: 1.1998838045039115
Energy: 0.5875578243712017
Energy: 0.6082684025169669
Energy: 0.5679677046285941
Energy: 2.327293809504209
Energy: 1.75250558190431
Energy: 0.5939261984073735
Energy: 2.2850313776110664
Energy: 1.7342830587217888

minimum gb energy = 0.5626182827114056 eV
minimum distance =  0.880297954811052 Angstroms
sigma value = 57


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

Energy: 0.7388535245648592
Energy: 0.6276877655991643
Energy: 0.6270378742986334
Energy: 0.574977079829006
Energy: 2.186163320262241
Energy: 0.6772084081424401
Energy: 0.5216090210475265
Energy: 0.5958647777074199
Energy: 2.1116242268183796
Energy: 2.1232173204714817
Energy: 0.5674035284954174
Energy: 2.0635758022743516
Energy: 0.6850527598691922
Energy: 0.5765048962270224
Energy: 0.5796476582670993
Energy: 0.5984895398231344
Energy: 0.57699210896325
Energy: 0.5788386611448098
Energy: 0.5665814836437033
Energy: 0.5744443824628689
Energy: 0.577172635343692
Energy: 0.5674513264686676
Energy: 0.5748682313061307
Energy: 1.959701512491714
Energy: 0.5691220582002458
Energy: 0.579145269092813
Energy: 0.5780863160684061
Energy: 0.5620984957429906
Energy: 0.5772663184266387
Energy: 0.558235565586769
Energy: 0.5202501242988272
Energy: 0.5839907652021071
Energy: 0.5797327562623558
Energy: 1.9590184084596205
Energy: 0.5585044864843618
Energy: 0.5788629515843438
Energy: 0.5662371672490975
Energy: 0.5706690378988661
Energy: 0.5631013302858805
Energy: 0.5549615909311837
Energy: 0.5634855815716882
Energy: 0.5619761477733415
Energy: 0.5620738135425668
Energy: 0.6027976531276183
Energy: 0.6673712019930392
Energy: 0.5764014512462359
Energy: 0.6023743699443015
Energy: 0.6011152516193363
Energy: 0.5654536808183248
Energy: 0.591398114961089
Energy: 0.5942134093042665
Energy: 0.5648914703837683
Energy: 0.5948380749349933
Energy: 0.5746311613884775
Energy: 0.6128162656914193
Energy: 0.5971643920461123
Energy: 0.5982537209128984
Energy: 0.5990799310958901
Energy: 0.5860197558533119
Energy: 0.5978403739120713
Energy: 0.6167727872473744
Energy: 0.5777366224313941
Energy: 3.434119639815587
Energy: 0.5686190570416022
Energy: 0.5733311585722612
Energy: 3.405705665998975
Energy: 0.5189829894767893
Energy: 2.0427939400954087
Energy: 2.048690283583656
Energy: 0.5205914572201046
Energy: 2.0655672326497956
Energy: 0.5985079448623528
Energy: 3.5099925398690366
Energy: 2.1503703061179067
Energy: 0.6052205602803122
Energy: 3.442717967572799
Energy: 2.1268605999379107
Energy: 0.6043766151618334
Energy: 0.6210335005207815
Energy: 2.051057131492938
Energy: 1.9567056803767295
Energy: 0.5682243798686797
Energy: 2.0510053674289126
Energy: 0.5954803039941396
Energy: 0.5674186844339314
Energy: 0.5732177865153206
Energy: 0.5782585306721821
Energy: 2.003293609005623
Energy: 0.5750936012355704
Energy: 0.5750090388503285
Energy: 0.5611085046869164
Energy: 1.9662423305092216
Energy: 0.5619167236577691
Energy: 0.5618101333544574
Energy: 2.0711210823579687
Energy: 0.5603873751834887
Energy: 1.954850346889065
Energy: 0.5814144259493508
Energy: 0.5785123500139981
Energy: 1.970270704683642
Energy: 0.5790431532589521
Energy: 0.5775086214987759
Energy: 1.9553173786840377
Energy: 0.5544612606040609
Energy: 0.5544456740676852
Energy: 1.9767928101122987
Energy: 0.5621436754419633
Energy: 0.5757299327577234
Energy: 3.447031600536525
Energy: 0.5638094427722598
Energy: 0.5627453383503198
Energy: 3.4255990919438846
Energy: 0.5633000176880985
Energy: 0.586666848237212
Energy: 3.4276133791360106
Energy: 0.5971223506522672
Energy: 0.5983966556802259
Energy: 3.3664435493521174
Energy: 0.5967946673748443
Energy: 0.6008024132253159
Energy: 0.5709649373048556
Energy: 3.433964201712027
Energy: 2.0113344785413223
Energy: 0.5680804965139247
Energy: 3.4588755811734684
Energy: 0.5773995741170118
Energy: 0.6644261907622003
Energy: 0.5993849802646719
Energy: 0.6025489008998944
Energy: 3.466835636039851
Energy: 0.5982996756768227
Energy: 0.6004707601996317
Energy: 0.6211861689793974
Energy: 1.981957797524534
Energy: 0.578462879542917
Energy: 0.5670245746917685
Energy: 2.044852823139767
Energy: 0.5951029536172429
Energy: 3.502651862045074
Energy: 2.0861399910692433
Energy: 0.605373919409148
Energy: 3.4819122576587005
Energy: 2.0937155830485636
Energy: 0.6032661878468603

minimum gb energy = 0.5189829894767893 eV
minimum distance =  2.51618701159994 Angstroms
sigma value = 17


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

Energy: 0.9008003024527985
Energy: 2.6111099597417553
Energy: 2.6230104706998363
Energy: 0.611524669500755
Energy: 1.8061325098654397
Energy: 0.6250871748803876
Energy: 1.5585634387012528
Energy: 0.5931711618782015
Energy: 1.6844683760895571
Energy: 2.690043458783378
Energy: 0.6330900433300359
Energy: 1.6978945317308958
Energy: 0.5898558358378891
Energy: 0.5298436398062805
Energy: 0.5309456335372548
Energy: 1.6295515863194268
Energy: 0.5315832013553963
Energy: 0.5308735259719722
Energy: 0.5961626113178025
Energy: 0.5322714174133388
Energy: 0.5315296249829214
Energy: 0.5971642816766911
Energy: 0.5455372298722321
Energy: 1.5635715662085174
Energy: 1.5564694416303884
Energy: 0.5460448583688879
Energy: 0.5462798393491678
Energy: 1.5724676042985224
Energy: 0.5456582797947054
Energy: 0.5439178760803811
Energy: 0.535307339168829
Energy: 1.530471767075272
Energy: 1.5650369893848963
Energy: 0.5517274480413081
Energy: 0.5141282448128134
Energy: 0.5554578713777775
Energy: 0.5157225833270771
Energy: 0.5131143371699664
Energy: 0.5129727882173756
Energy: 0.5135531192109237
Energy: 0.5146659691992804
Energy: 0.5264545824876449
Energy: 0.5170363932339775
Energy: 0.5578352782574959
Energy: 0.5537359371820366
Energy: 0.5539252801210128
Energy: 1.5763349726549838
Energy: 0.5533480835846384
Energy: 0.513625170770956
Energy: 0.5520920079644263
Energy: 0.5267490462403827
Energy: 0.5148399662809837
Energy: 0.5491204061474069
Energy: 0.5253438481948798
Energy: 0.5142701976535413
Energy: 0.5422740861744981
Energy: 0.5389040758494054
Energy: 0.5146447137668462
Energy: 2.526728044382358
Energy: 0.5442695937006068
Energy: 0.5152242033808047
Energy: 0.544706927426392
Energy: 0.5459462982096752
Energy: 0.5468342898575435
Energy: 0.5192927380722099
Energy: 0.5462269990129863
Energy: 0.5192785261949426
Energy: 0.591645124733964
Energy: 0.5927569900428432
Energy: 0.5263587526880037
Energy: 0.5917306595585257
Energy: 2.4990212644334067
Energy: 0.5183798894789184
Energy: 0.6416838742298737
Energy: 2.5806163153604618
Energy: 0.5420589580655598
Energy: 0.6407729547032842
Energy: 2.5526723248453744
Energy: 0.6014314471797936
Energy: 2.694746682557577
Energy: 0.5509500306372026
Energy: 0.5154057648202413
Energy: 2.6752768147504615
Energy: 0.5506797940235582
Energy: 0.6786879129182438
Energy: 2.6541444130285967
Energy: 0.6323313401477644
Energy: 2.6732943660931463
Energy: 2.6929686416351455
Energy: 0.6382007157629539
Energy: 0.569222514307894
Energy: 2.663310322576218
Energy: 1.5667613339416986
Energy: 0.6383339647658245
Energy: 2.685581203298205
Energy: 1.5741440264390962
Energy: 0.4928910152185841
Energy: 1.712365944305914
Energy: 2.5760430746356455
Energy: 0.5488046371329393
Energy: 1.6966345724932257
Energy: 2.548810872591483

minimum gb energy = 0.4928910152185841 eV
minimum distance =  0.882392552009481 Angstroms
sigma value = 17


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

Energy: 2.317360779754843
Energy: 2.19477814922928
Energy: 0.6368799375003568
Energy: 2.140639142270584
Energy: 3.0096043334455715
Energy: 0.636920179108367
Energy: 2.212794458664157
Energy: 0.5230016535949701
Energy: 1.4846745142323834
Energy: 2.9895092589706573
Energy: 0.5232186495227681
Energy: 2.1378564345022153
Energy: 0.7024158792476847
Energy: 0.5468522978268519
Energy: 2.11769164026217
Energy: 1.3305652081440136
Energy: 0.5472644703555614
Energy: 1.3861981319094248
Energy: 0.6082235699731771
Energy: 2.083971975059286
Energy: 2.053114953932538
Energy: 0.6057901537916698
Energy: 2.1707558229472075
Energy: 0.5425492171595927
Energy: 1.297087440687884
Energy: 0.5497187040882515
Energy: 0.5514349117660365
Energy: 1.3414260662455157
Energy: 0.549222269463362
Energy: 1.2860508508174644
Energy: 2.2013061760736385
Energy: 1.3107427881183804
Energy: 0.5562268639099912
Energy: 2.125578175492773
Energy: 1.2994018136235372
Energy: 0.5568039806877589
Energy: 0.4774229241431113
Energy: 0.5186651884468778
Energy: 0.5140003857851693
Energy: 0.5001684373265599
Energy: 0.5154908203665057
Energy: 0.526357593066442
Energy: 0.4794607138548802
Energy: 0.523239605582564
Energy: 1.2774679754796434
Energy: 0.5384536727946035
Energy: 0.5230088589786963
Energy: 1.2768888828917528
Energy: 0.47575163219499783
Energy: 1.3191547849181129
Energy: 0.4755339563969154
Energy: 0.47659975123005793
Energy: 1.3719899941561122
Energy: 0.4751622606400828
Energy: 0.48584994088985706
Energy: 0.5229140222785564
Energy: 0.521397917936155
Energy: 0.47592529841746645
Energy: 0.5238532677057268
Energy: 0.5209932059553749
Energy: 1.3382407592318732
Energy: 0.47730267392140824
Energy: 0.5216248595063814
Energy: 1.2813272043208233
Energy: 0.4750769499938455
Energy: 0.5205737102280932
Energy: 0.4768807101678547
Energy: 0.48217128236495366
Energy: 0.474784206943391
Energy: 0.4832727196564448
Energy: 0.4790170914665658
Energy: 0.4759417235811983
Energy: 0.48507038367840444
Energy: 0.5352041030562174
Energy: 0.5349201208184482
Energy: 0.5279123826408979
Energy: 0.5380624684601979
Energy: 0.5359449468857351
Energy: 0.5123929124487734
Energy: 0.5373711416399888
Energy: 0.5418512478635846
Energy: 0.5133702619380905
Energy: 0.5134722427269954
Energy: 0.5138149654447448
Energy: 0.5159107993462372
Energy: 0.5478432262019944
Energy: 0.5423907962585763
Energy: 0.5143154554160224
Energy: 0.5428925732907179
Energy: 2.0867894274857557
Energy: 0.5198580645439017
Energy: 0.5443104787338225
Energy: 0.5442796184394342
Energy: 0.549298531386571
Energy: 0.5210395345559738
Energy: 0.5442943327811074
Energy: 0.4751965773709067
Energy: 2.115292943998296
Energy: 2.1344958465722486
Energy: 0.4767353446699536
Energy: 0.6079142495346216
Energy: 0.5145778761996406
Energy: 0.4762230227940106
Energy: 2.1132891288440256
Energy: 2.0802979658408587
Energy: 0.47689897541071946
Energy: 0.6050413610139083
Energy: 0.5486314647932083
Energy: 0.5153862521398566
Energy: 2.1989909252219855
Energy: 2.206687950032797
Energy: 0.5378116115351675
Energy: 0.5189749455856992
Energy: 2.161953997981731
Energy: 0.6096391499177641
Energy: 0.591348173127424
Energy: 0.5967216904916481
Energy: 2.232680632965095
Energy: 0.5536830442688327
Energy: 2.1980337181760152
Energy: 0.5598467705871479
Energy: 2.2564858117917237
Energy: 1.4211242335867413
Energy: 0.6010866162086764
Energy: 2.2178573175605503
Energy: 1.3646370772323064
Energy: 0.48425636540591444
Energy: 1.4010914833667691
Energy: 2.109697269705376
Energy: 0.5294558301673058
Energy: 2.193290383161373
Energy: 0.5843730946126983
Energy: 0.4861283077113232
Energy: 2.2082703458361896
Energy: 2.8880911830613916
Energy: 0.48717861122952516
Energy: 1.4444838259627453
Energy: 2.0997264820256123
Energy: 0.6557170553609001
Energy: 0.5554730604096895
Energy: 1.3446233144237907
Energy: 0.5975138242388861
Energy: 2.0777815527127608
Energy: 1.3256049657303028
Energy: 0.604557410860215
Energy: 0.5595256273611854
Energy: 2.0954692108531443
Energy: 1.4172534701807316
Energy: 0.5492967942685972
Energy: 2.099464052306046
Energy: 0.5231453173480425
Energy: 0.5530592025069434
Energy: 0.5547604016178226
Energy: 0.5211103622324209
Energy: 1.3566235534972808
Energy: 0.5588477578812294
Energy: 2.176188757291577
Energy: 1.323067150974742
Energy: 1.3201305548392275
Energy: 2.0510998232915947
Energy: 1.3081294422618093
Energy: 0.5545326471854829
Energy: 0.4698781825801701
Energy: 0.5195574011714278
Energy: 0.5129241333567826
Energy: 0.47008849821304205
Energy: 0.5159533220477253
Energy: 1.2974320108525426
Energy: 0.5326610697285541
Energy: 1.3288000863292966
Energy: 1.2925994724788084
Energy: 0.5045476460513532
Energy: 0.4829624889891877
Energy: 0.5336013398551456
Energy: 0.4850000701662443
Energy: 0.5216545496526426
Energy: 1.3009638688647174
Energy: 0.47541956847534705
Energy: 0.5233755706590241
Energy: 1.2651698759176144
Energy: 0.4784908512632157
Energy: 0.5232664128963938
Energy: 0.518334460103185
Energy: 0.47924059455336376
Energy: 0.5282180221066166
Energy: 0.49862952214941825
Energy: 1.335964598801365
Energy: 0.5264204659958088
Energy: 0.5232089826937905
Energy: 1.2727430008868985
Energy: 0.5245093299325583
Energy: 0.5216886974417259
Energy: 0.5106111522008838
Energy: 0.4793397680867381
Energy: 0.47473047919919853
Energy: 0.5102631630862853
Energy: 0.47521081845663754
Energy: 0.475188548947217
Energy: 2.185328989783259
Energy: 0.5431863246111257
Energy: 0.5415624368984494
Energy: 2.03610731869248
Energy: 0.5463442682473494
Energy: 0.5436959445712517
Energy: 0.5173930578891068
Energy: 0.5357655261009661
Energy: 0.5350843256106597
Energy: 0.5179214165249063
Energy: 0.539925515226349
Energy: 0.5377291531523233
Energy: 0.5231720380246427
Energy: 0.5400724167335078
Energy: 2.038511360491925
Energy: 0.5144149551252857
Energy: 0.5359910307112489
Energy: 2.024865802154219
Energy: 0.6116288155249291
Energy: 2.120606467106728
Energy: 2.065515663007839
Energy: 0.5181100058473692
Energy: 2.05972575185723
Energy: 0.5698676732714356
Energy: 0.48042795072778055
Energy: 0.6065041356457547
Energy: 0.5179660525226168
Energy: 2.1412198701302643
Energy: 0.6034264574448954
Energy: 2.0562148446864255
Energy: 1.250890512589457
Energy: 2.1179033429130203
Energy: 0.5881688980349239
Energy: 1.3523790367859883
Energy: 2.130829046619819
Energy: 0.5897376044916414
Energy: 2.147654359783719
Energy: 0.5869948659360861
Energy: 0.5859151685824546
Energy: 2.179287594881915
Energy: 0.5962070283643074
Energy: 0.5594045271424326
Energy: 0.6783069291801618
Energy: 0.5860475555350811
Energy: 2.1920924267752366
Energy: 2.1783070490931213
Energy: 0.5537290569803835
Energy: 2.113704466265071
Energy: 0.6536148319412007
Energy: 1.3073749130533476
Energy: 0.5601827820081022
Energy: 0.636062806536605
Energy: 2.115216554815307
Energy: 2.2085471423309215
Energy: 0.4878600535286939
Energy: 1.4522930011514157
Energy: 2.942039738277584
Energy: 0.48822496565467094
Energy: 1.4395212045342622
Energy: 2.0935208731525172

minimum gb energy = 0.4698781825801701 eV
minimum distance =  0.878917006276072 Angstroms
sigma value = 57


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

Energy: 0.45211749624423614
Energy: 1.9269007855823252
Energy: 0.6349406034814196
Energy: 0.5626395541405943
Energy: 2.5697760563535264
Energy: 1.8847239871309593
Energy: 1.8774804071727094
Energy: 0.5478231058602773
Energy: 1.306419058125055
Energy: 2.5028340340007844
Energy: 0.5469177065244688
Energy: 1.8541967563047481
Energy: 0.6349731981218912
Energy: 0.5426407506291271
Energy: 0.5394376031128651
Energy: 1.2016797530339163
Energy: 0.5454853882949148
Energy: 1.8228542942344212
Energy: 0.5831925035721365
Energy: 0.5049320168083498
Energy: 1.7733562908928584
Energy: 1.1938589548394156
Energy: 0.5121119639343755
Energy: 1.7524166561622356
Energy: 0.5100358413605001
Energy: 0.5196339479544513
Energy: 1.1581231989418472
Energy: 0.5093517071445943
Energy: 0.5161967937602442
Energy: 1.2212758846152985
Energy: 0.44088732076934906
Energy: 1.2197835940702608
Energy: 0.5489637798397063
Energy: 0.5207169660589253
Energy: 1.2040863607909842
Energy: 1.7691320028800726
Energy: 1.1525975936668433
Energy: 0.5176474728852823
Energy: 0.5214149676082412
Energy: 0.5367607630495206
Energy: 0.5153144136341451
Energy: 0.5372342540630707
Energy: 0.4784561649420742
Energy: 0.5144203627114211
Energy: 0.5130580815231417
Energy: 0.5095988816454085
Energy: 0.5089115464679217
Energy: 1.14037883719738
Energy: 0.4718036959030493
Energy: 1.1185368783714864
Energy: 1.1563997738694938
Energy: 0.4716094438340728
Energy: 0.4708975797877304
Energy: 0.47937520880848067
Energy: 0.47824327802428407
Energy: 0.5029408927708553
Energy: 0.502994663993278
Energy: 0.4780180531136908
Energy: 0.5053224983320437
Energy: 0.5037408360100544
Energy: 0.450890277774928
Energy: 0.4609987754923589
Energy: 0.45070283249797183
Energy: 0.49881141237910903
Energy: 0.4588626255627608
Energy: 1.1101578276797208
Energy: 0.5166827450736181
Energy: 0.4533140852470549
Energy: 0.45608085003622845
Energy: 0.4847846847058445
Energy: 0.4499250548972145
Energy: 0.4779587443431382
Energy: 0.4860768622206461
Energy: 0.49452940136118434
Energy: 0.49173948771509685
Energy: 0.50715202792074
Energy: 0.49638548180550884
Energy: 0.4917785018314121
Energy: 0.4473496522677678
Energy: 0.49629444358702457
Energy: 0.4486246985422815
Energy: 0.44842650196398365
Energy: 0.451683207674552
Energy: 0.456600506689074
Energy: 0.4644608497482016
Energy: 0.5125637366018169
Energy: 0.5084272526043263
Energy: 0.4487213349475852
Energy: 1.7462910178554139
Energy: 0.5107997244812128
Energy: 0.5066868499741112
Energy: 0.477312730457076
Energy: 0.5092102913946803
Energy: 0.5057532596555362
Energy: 0.4744742380752758
Energy: 0.5030970292904623
Energy: 0.4483057114718519
Energy: 0.47873418063200107
Energy: 0.46868292585647015
Energy: 0.5059337776444728
Energy: 0.476025705369536
Energy: 0.4716761931019659
Energy: 1.7064843007178334
Energy: 0.5006686256442366
Energy: 0.5271462850259316
Energy: 1.7864620085506489
Energy: 0.4744005281089856
Energy: 0.5295792594731101
Energy: 0.5139387143536059
Energy: 0.5357984041016512
Energy: 0.5273906890577732
Energy: 0.5153708632916116
Energy: 1.827966819612729
Energy: 0.5254036031184803
Energy: 0.52208125507538
Energy: 0.5359456492637562
Energy: 0.5346078744711944
Energy: 0.6026986069825393
Energy: 1.7738042624402182
Energy: 1.7897338511777756
Energy: 0.5906812102655473
Energy: 0.5508999530890674
Energy: 0.5516702516447276
Energy: 0.5462429043920983
Energy: 0.5420234493914969
Energy: 0.5366045541123219
Energy: 0.44781220638907804
Energy: 1.7821792674930217
Energy: 0.5166461065762096
Energy: 0.5302860723074663
Energy: 1.7967360673513866
Energy: 1.789678182775809
Energy: 1.1062771396246773
Energy: 1.8012021541763923
Energy: 1.7774484698183313
Energy: 1.1244527802602475
Energy: 0.584206380313674
Energy: 1.8896681756093496
Energy: 0.5960519004887758
Energy: 1.2092264356256486
Energy: 3.116850200888569
Energy: 0.550406259062072
Energy: 1.2236412692854304
Energy: 1.8615788968690914
Energy: 0.7045122356022817
Energy: 0.5596492157622642
Energy: 0.552768770104761
Energy: 1.899276589597752
Energy: 0.5614464107556164
Energy: 1.8649806052431699
Energy: 2.539724639432283
Energy: 1.2681323700542277
Energy: 0.5841674027767243
Energy: 2.530153743377124
Energy: 1.8931823039501294
Energy: 0.5567280676307088
Energy: 0.4521148035454912
Energy: 2.508805312127861
Energy: 0.5889426750726642
Energy: 0.5520418298395311
Energy: 2.5009082298674605
Energy: 1.7871640741911594

minimum gb energy = 0.44088732076934906 eV
minimum distance =  0.877780477638746 Angstroms
sigma value = 43


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

Energy: 0.4096218031267917
Energy: 2.469275790804271
Energy: 1.449124878794195
Energy: 0.49250664682954237
Energy: 1.980790181545605
Energy: 0.529661042547828
Energy: 1.4930826486228428
Energy: 0.5047753333893963
Energy: 1.432892207158054
Energy: 2.940999769251169
Energy: 0.48908832539138036
Energy: 1.9676923020179489
Energy: 0.6175754189534997
Energy: 0.46842792898760854
Energy: 0.46868592486904975
Energy: 0.48724025129654464
Energy: 0.47616436548558855
Energy: 1.3998830594103326
Energy: 0.5397623893351813
Energy: 1.4089530218897581
Energy: 1.3674618619056633
Energy: 0.9740733732202601
Energy: 0.4672342293483854
Energy: 1.424768356841055
Energy: 0.9709074960377573
Energy: 0.9953322918790699
Energy: 0.9813437841745426
Energy: 1.4100393769987083
Energy: 0.4826319285951114
Energy: 1.445828557208253
Energy: 0.39608364413561054
Energy: 1.9042158243868952
Energy: 1.3890620839279737
Energy: 0.45524553942720614
Energy: 0.9585276123466876
Energy: 0.4710143285298985
Energy: 0.9971173961397541
Energy: 0.48025040739744557
Energy: 0.48034931294347866
Energy: 0.9623972552304028
Energy: 0.4811455238803935
Energy: 0.47623296734892306
Energy: 0.5455811499275015
Energy: 0.4489653178539075
Energy: 0.9378643068775916
Energy: 0.4491864923354906
Energy: 0.4423090709667907
Energy: 1.3690359341345537
Energy: 0.4435207149868683
Energy: 1.3345990371623841
Energy: 1.406869236470526
Energy: 0.4439107818398796
Energy: 0.9166871797627427
Energy: 0.9256081040744947
Energy: 0.892756107780641
Energy: 0.4618806714940709
Energy: 0.46278667707178006
Energy: 0.8886000563866621
Energy: 0.4628326209372069
Energy: 0.9339529683059488
Energy: 0.39131855725705256
Energy: 0.905379640883539
Energy: 0.896279508378211
Energy: 0.43733324967604814
Energy: 0.41560946101791935
Energy: 0.4471606144518238
Energy: 0.4284749538673233
Energy: 0.4147707532690287
Energy: 0.41468595995852814
Energy: 0.44724949719940255
Energy: 0.4180149271670227
Energy: 0.4521741085016916
Energy: 0.4065487633518737
Energy: 0.4414764160808666
Energy: 0.8890226399128196
Energy: 0.44700248830018335
Energy: 0.43850383774922375
Energy: 0.888878761983497
Energy: 0.3995948815788367
Energy: 0.40301171996417684
Energy: 0.40072709284435004
Energy: 0.40072331398185623
Energy: 0.9413566601490543
Energy: 0.40040760007535103
Energy: 0.40342141203500853
Energy: 0.4394084367805171
Energy: 0.4376608580534549
Energy: 0.40299818674221755
Energy: 0.44174751503344784
Energy: 0.44343874134801436
Energy: 0.39474067234276605
Energy: 0.39386492135890794
Energy: 0.3982405522011852
Energy: 0.9090291809170997
Energy: 0.39324886913724827
Energy: 0.43660195323720347
Energy: 0.4013059911132796
Energy: 0.3930598902766722
Energy: 0.3937105865851751
Energy: 0.4328522854678792
Energy: 0.3936871228879367
Energy: 0.43384750361479696
Energy: 0.3975914269457398
Energy: 0.43582492900345143
Energy: 0.43389813809528116
Energy: 0.3949217013403808
Energy: 0.4367822662202336
Energy: 0.4340544449302375
Energy: 0.3925753836716776
Energy: 0.3960103798355607
Energy: 0.39393286169375097
Energy: 0.3932520735284911
Energy: 0.42662767278792324
Energy: 0.3932930123418725
Energy: 0.39518500249329414
Energy: 0.4414827327866785
Energy: 0.43891946882502714
Energy: 0.3949633575506758
Energy: 0.4416248679777127
Energy: 0.43721186324811323
Energy: 0.4155978751357822
Energy: 0.4001400771747835
Energy: 0.403525367849745
Energy: 0.43772395444417467
Energy: 0.4061942129680897
Energy: 0.4390154978820416
Energy: 1.30600382675332
Energy: 0.4003820481983155
Energy: 0.4033243099401895
Energy: 1.4087837842803872
Energy: 0.4001277621511917
Energy: 0.4405098435779218
Energy: 0.41706900826204485
Energy: 0.44402916214184723
Energy: 0.4482888841181665
Energy: 0.41555199778083113
Energy: 0.443877021343188
Energy: 0.4510822428113326
Energy: 0.4144706062922965
Energy: 0.4189802668877186
Energy: 0.4155665660023366
Energy: 0.41574259329860724
Energy: 0.9363707376990559
Energy: 0.4152423996713127
Energy: 0.4163141665626863
Energy: 0.4473668217863505
Energy: 1.3705398221575094
Energy: 0.4541749200464705
Energy: 0.44271870199805063
Energy: 1.3471517197889884
Energy: 0.41885377345559754
Energy: 0.4400651209019357
Energy: 0.4398676283467736
Energy: 0.45987316512120896
Energy: 0.44255522712213835
Energy: 0.46736731087896577
Energy: 0.393718195307303
Energy: 1.3828188437315596
Energy: 1.3704444202587824
Energy: 0.44406547346433045
Energy: 0.44166288607506543
Energy: 0.4658114810814524
Energy: 0.9656439023983198
Energy: 0.46412366203559163
Energy: 0.4638184931523407
Energy: 1.3894273778267248
Energy: 0.4623437500313603
Energy: 1.400378073510205
Energy: 0.48454521566107095
Energy: 0.9683398910184793
Energy: 2.3891479257061556
Energy: 0.484807071264885
Energy: 0.9342265013966965
Energy: 0.4811718623696994
Energy: 0.5775365550247695
Energy: 0.46018167996338666
Energy: 1.4236657473671903
Energy: 0.4868308461983757
Energy: 0.4543500603344502
Energy: 1.352084261031333
Energy: 1.4797101349591255
Energy: 0.5077566687267258
Energy: 0.5061586864077086
Energy: 1.4529677656060718
Energy: 0.5051264307878338
Energy: 0.4923548789724464
Energy: 0.4021202311460869
Energy: 2.4039592481416907
Energy: 1.4095978692038849
Energy: 0.4681787200952453
Energy: 1.4461338049754626
Energy: 0.4899363362646201
Energy: 0.44461790280438646
Energy: 1.4240036060071914
Energy: 1.4155298943607182
Energy: 1.4146018726636638
Energy: 0.5286491104527059
Energy: 2.413950348039894
Energy: 0.5825812508328289
Energy: 1.4424793009941197
Energy: 1.3854189695099037
Energy: 1.498753699142643
Energy: 0.47343041853216544
Energy: 1.0030823521186143
Energy: 0.6191167074645693
Energy: 0.46970229802972746
Energy: 1.3783363682950331
Energy: 1.4360493564662207
Energy: 0.4701561115705528
Energy: 0.9878826765431313
Energy: 2.927703686034909
Energy: 0.5289289785164871
Energy: 1.48642534701062
Energy: 2.4093403294791518
Energy: 0.5283927870649122
Energy: 1.9321334170688076

minimum gb energy = 0.39131855725705256 eV
minimum distance =  0.883961842269278 Angstroms
sigma value = 81


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

Energy: 0.10312020649583514
Energy: 0.15343522608628288
Energy: 0.15130449124914622
Energy: 0.10332173874165364
Energy: 7.631655773959134
Energy: 0.1096942929480801
Energy: 0.12069811451005225
Energy: 7.609192724684566
Energy: 7.585268034419183
Energy: 7.724929088237708
Energy: 7.588508090869495
Energy: 7.66920984687663
Energy: 0.13260227500232522
Energy: 0.10331235175274178
Energy: 0.1294456971929281
Energy: 7.699527712786227
Energy: 0.1071101879068642
Energy: 0.1284456842054049
Energy: 0.10407636372922031
Energy: 0.10345340671118505
Energy: 0.12941467508632715
Energy: 7.60764493641868
Energy: 0.10742907982300877
Energy: 0.12955190587184745
Energy: 0.12859544470799958
Energy: 7.605162174029463
Energy: 7.611456575937519
Energy: 0.12879255867037498
Energy: 7.617493497179468
Energy: 7.797590814029781
Energy: 0.104237637973544
Energy: 7.6075008070904415
Energy: 0.12960771003037977
Energy: 0.10305218883209533
Energy: 7.593614657159006
Energy: 0.10399037895448998
Energy: 7.6368193910283235
Energy: 7.589407880842486
Energy: 7.761522194655601
Energy: 7.604945535797259
Energy: 7.621456920714521
Energy: 7.59926766885194
Energy: 0.13253711837114313
Energy: 0.104107493768372
Energy: 0.128457914553466
Energy: 7.781735641611033
Energy: 0.10620673408872866
Energy: 0.1287765832260925
Energy: 0.10498855274742612
Energy: 0.1323020992491443
Energy: 0.12962164136252197
Energy: 7.583068104863019
Energy: 0.10616091413103072
Energy: 0.12005964378880792
Energy: 0.12869991081966514
Energy: 7.614542240744094
Energy: 7.626125912839479
Energy: 0.12861419286378656
Energy: 7.696476758962842
Energy: 7.617595370162107

minimum gb energy = 0.10305218883209533 eV
minimum distance =  0.851077159401467 Angstroms
sigma value = 3


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

Energy: 1.7658858389503864
Energy: 2.6133858712041045
Energy: 0.5762701152760354
Energy: 1.5255853946704896
Energy: 2.142132977880823
Energy: 0.5102217473580314
Energy: 2.5357665255234396
Energy: 0.46047868655089763
Energy: 2.059254044916664
Energy: 3.0677828589224037
Energy: 0.5110122588541322
Energy: 1.5898155153381044
Energy: 0.5844416761121553
Energy: 0.4466987585165878
Energy: 1.4533034990956837
Energy: 1.0376594863907669
Energy: 1.0043432739734373
Energy: 1.5144276988311718
Energy: 0.5131106469601828
Energy: 1.4779288258132761
Energy: 0.5088441845166926
Energy: 1.5508665609190797
Energy: 1.480127177788306
Energy: 1.5221866815069733
Energy: 1.4644298283464148
Energy: 1.5124268045658629
Energy: 1.523189864555929
Energy: 1.4670460708848578
Energy: 0.5539840274106789
Energy: 1.0306443389015931
Energy: 1.0084823920820338
Energy: 2.547786494680216
Energy: 1.5073317795150507
Energy: 0.4174532465645545
Energy: 1.5783813685627703
Energy: 0.45445718776021127
Energy: 1.5111580822594461
Energy: 0.45870690512805395
Energy: 0.4592751729117916
Energy: 1.543831755402344
Energy: 0.4576835266087837
Energy: 0.5003927989689922
Energy: 0.5189821145392889
Energy: 1.419862061509016
Energy: 1.386951699843193
Energy: 0.5202125692311977
Energy: 0.3978945666665324
Energy: 0.4548208718163224
Energy: 0.47555481160420215
Energy: 0.4755434383107039
Energy: 1.477553863739921
Energy: 0.5195844674373362
Energy: 1.0104717002133017
Energy: 1.474079097028957
Energy: 0.9793822107569115
Energy: 0.462231624079539
Energy: 0.4577821625484871
Energy: 1.4360596402704264
Energy: 0.4595633704068328
Energy: 0.9650308109238661
Energy: 0.9916087001667504
Energy: 0.45805423848530025
Energy: 1.463288690773321
Energy: 0.9148457272798218
Energy: 0.49610485355738676
Energy: 0.41803461153599664
Energy: 0.4222168999082301
Energy: 0.48115492444645225
Energy: 0.47805627382399357
Energy: 0.4200880315627718
Energy: 0.4397877536768801
Energy: 0.4219286588559096
Energy: 0.4233696109221043
Energy: 0.38550545363152405
Energy: 1.4475767678337683
Energy: 0.4225061422879067
Energy: 0.3866150316877249
Energy: 0.42268733553312976
Energy: 0.3944820558764769
Energy: 0.4498314902054335
Energy: 0.46305297418854957
Energy: 0.4216927445412397
Energy: 0.39802880735678253
Energy: 0.45904784027921425
Energy: 0.38702085804618436
Energy: 0.4004636313035754
Energy: 0.3973395909578547
Energy: 0.3863793890834038
Energy: 0.39764056053172825
Energy: 0.39745255944879904
Energy: 1.5034852882407743
Energy: 0.39742649035789507
Energy: 0.44493359227080065
Energy: 1.3506354564544554
Energy: 0.39873714182076003
Energy: 0.44622775618068217
Energy: 0.3924009654092223
Energy: 0.4354946685164256
Energy: 0.38862856136594337
Energy: 0.3850024878025674
Energy: 0.39885378093316426
Energy: 0.3864338779677893
Energy: 0.38699944937129344
Energy: 0.44367151535053817
Energy: 0.438872927940252
Energy: 0.3861333914065526
Energy: 0.38796569801187597
Energy: 0.38579179533850894
Energy: 1.0118736155268644
Energy: 0.3861334572319729
Energy: 0.44799416774635326
Energy: 0.9164265361662207
Energy: 0.38522386437389766
Energy: 0.4510741608913671
Energy: 0.38628403579903026
Energy: 0.3898060128174627
Energy: 0.38554272687795976
Energy: 0.3876149786892831
Energy: 0.38737122695800086
Energy: 0.3867772413612051
Energy: 0.4302479892504092
Energy: 0.9225917020215628
Energy: 0.43774728530414087
Energy: 0.4008115235328103
Energy: 0.8988852222296423
Energy: 0.442287617677112
Energy: 0.4011070100489705
Energy: 0.8945755543492148
Energy: 0.8989116781628349
Energy: 0.4017713855722436
Energy: 0.9786967242344704
Energy: 0.39754723283267746
Energy: 0.3984392578400351
Energy: 0.46264638271198827
Energy: 0.45979796527070693
Energy: 0.39786348989582865
Energy: 0.4653525546133451
Energy: 0.4554479107933384
Energy: 1.6235011200176332
Energy: 0.9779893989329188
Energy: 0.9671188102884773
Energy: 0.9837327751771565
Energy: 0.42099325499547724
Energy: 0.46672823045554773
Energy: 0.40509300755614097
Energy: 0.420236214023024
Energy: 0.4223078395707981
Energy: 0.39748547645527554
Energy: 0.4250305667401702
Energy: 0.42129015001523024
Energy: 0.4010026743234405
Energy: 1.4462230002914531
Energy: 1.4561312098333667
Energy: 0.42108763790680226
Energy: 0.3880374090428828
Energy: 0.9962831903532144
Energy: 0.4580499446582005
Energy: 1.3721343388332812
Energy: 0.4617631912920155
Energy: 0.45919761292531985
Energy: 1.4452998184796013
Energy: 0.9616570241553818
Energy: 1.4396101460337363
Energy: 0.46825084626423713
Energy: 0.9942864956118741
Energy: 1.4466314959018953
Energy: 0.4679600348823756
Energy: 0.4692381276776936
Energy: 0.9498695077173112
Energy: 2.037917942899016
Energy: 1.0011080130840542
Energy: 0.9118612589927079
Energy: 1.009768512846306
Energy: 0.43157264519452826
Energy: 0.983263753753502
Energy: 0.5114310290288054
Energy: 0.5135642786524737
Energy: 0.45916266262543964
Energy: 0.5089830062917122
Energy: 1.0316574308378519
Energy: 0.4633954435372167
Energy: 0.988274279556124
Energy: 0.9907933951578127
Energy: 1.0426551129708446
Energy: 0.40478514234980945
Energy: 0.477144929182112
Energy: 0.580307105897306
Energy: 0.4891389229175891
Energy: 1.4931837248503537
Energy: 1.0389939987515808
Energy: 0.9789125719529259
Energy: 2.011930111359111
Energy: 0.987930725595311
Energy: 1.5558264130669064
Energy: 2.0533012300666877
Energy: 0.47605987600657684
Energy: 1.024854984378224
Energy: 2.5143267424234343

minimum gb energy = 0.3850024878025674 eV
minimum distance =  0.876570598902083 Angstroms
sigma value = 67


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

Energy: 0.5421654260336085
Energy: 2.0921693338663685
Energy: 0.623026090054607
Energy: 0.5586645859791082
Energy: 2.7897188028126685
Energy: 0.6294771988667148
Energy: 2.007545360185636
Energy: 0.610497112218037
Energy: 1.411777762615613
Energy: 2.0567272789942592
Energy: 0.6082923027341371
Energy: 2.7459346599859966
Energy: 0.6481059279523792
Energy: 0.4918884677065655
Energy: 1.2355976302369043
Energy: 2.0563537570731274
Energy: 0.5354722264334464
Energy: 1.9721278190928944
Energy: 0.5485104754921885
Energy: 1.3361879741298683
Energy: 1.232871936156616
Energy: 0.5484411951877762
Energy: 0.5218017255251093
Energy: 1.319680752015684
Energy: 1.9676822583932738
Energy: 0.6100958218920222
Energy: 1.976539832122315
Energy: 1.9758177013366591
Energy: 0.6090855183689357
Energy: 1.9830665460749166
Energy: 0.523812010511671
Energy: 1.9786607004117829
Energy: 0.5786702508652122
Energy: 1.907589417851982
Energy: 2.018336680586327
Energy: 0.5232647834564694
Energy: 0.5608909386965587
Energy: 0.4955710237578512
Energy: 0.4981835879830992
Energy: 0.558129557100612
Energy: 0.49305621637464364
Energy: 0.5551813789428883
Energy: 0.5559771013586187
Energy: 0.45767186680807304
Energy: 0.48154295964957644
Energy: 0.5565231609199834
Energy: 0.4555992479844239
Energy: 1.934511560084238
Energy: 0.46776518027007186
Energy: 1.9325806179472704
Energy: 1.9253545642298302
Energy: 0.5572343516456256
Energy: 1.971539375571423
Energy: 0.5581406100425789
Energy: 0.4616481703987067
Energy: 0.48894949131210425
Energy: 0.4929302648355627
Energy: 0.45788247388992037
Energy: 0.48623800908196924
Energy: 0.5007177143681097
Energy: 2.064418467537882
Energy: 0.49253252142303156
Energy: 0.51717250243023
Energy: 1.838249698875951
Energy: 0.49918611105728006
Energy: 0.47392930249432635
Energy: 0.4621605169736067
Energy: 0.5167126362143005
Energy: 0.5072363624944447
Energy: 0.46242879433613104
Energy: 0.4977385302122166
Energy: 0.45629780134286574
Energy: 0.46275955456732737
Energy: 0.47488337924770724
Energy: 0.49991378199424114
Energy: 0.4622972883102777
Energy: 0.45647864662917104
Energy: 0.4564830556373603
Energy: 1.1869648033124993
Energy: 0.4725160178933522
Energy: 0.5071869455471493
Energy: 1.1476430623402027
Energy: 0.4585443313962322
Energy: 0.49555042291790297
Energy: 0.5074250582466361
Energy: 0.4577656662214959
Energy: 0.4623443321671929
Energy: 0.4599934739338543
Energy: 0.45509450387483696
Energy: 0.4558292426039213
Energy: 0.46166401124042294
Energy: 1.2566491098803796
Energy: 1.2530416323187614
Energy: 0.48902892496047695
Energy: 1.2398828010568008
Energy: 0.4551798103772434
Energy: 0.49105444273574395
Energy: 0.45045797991928216
Energy: 0.49513915271396003
Energy: 0.4903053396058566
Energy: 0.44712634530864415
Energy: 1.213681479988315
Energy: 1.2346947084625999
Energy: 0.4997039776583776
Energy: 0.5530645837383601
Energy: 0.49632717546102345
Energy: 0.5027375554210203
Energy: 0.49404019487195755
Energy: 0.5313406859404325
Energy: 1.2860798837573066
Energy: 0.5536674448040477
Energy: 1.9439579179136606
Energy: 1.2864517979631966
Energy: 0.5427293190271208
Energy: 1.268347937576839
Energy: 0.55209161954799
Energy: 1.2414329818187593
Energy: 1.2750033802468983
Energy: 0.5506724689989546
Energy: 1.2567889884802492
Energy: 0.4962362164120968
Energy: 1.2748155351060997
Energy: 1.939207400451165
Energy: 1.3079696926728028
Energy: 0.5337647663063837
Energy: 1.2905875749011304
Energy: 0.6460298144116254
Energy: 0.4654862948189118
Energy: 1.9537322055225306
Energy: 1.3103217155383162
Energy: 0.46339267405323464
Energy: 1.9480861893519814
Energy: 2.027034747699709
Energy: 0.5534130888576053
Energy: 1.3321729319012354
Energy: 2.003462684614324
Energy: 0.5512219656868681
Energy: 1.3746494106774076

minimum gb energy = 0.44712634530864415 eV
minimum distance =  0.949642610873819 Angstroms
sigma value = 33


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

Energy: 0.8949678862055003
Energy: 2.435862003640842
Energy: 2.435590272203455
Energy: 0.6329311332329214
Energy: 1.6694653696380035
Energy: 0.6337068564074888
Energy: 1.5095539709415222
Energy: 0.6312910926174339
Energy: 1.607393308461738
Energy: 3.344742360343249
Energy: 0.6299868797048371
Energy: 1.6328303797144834
Energy: 0.6737471788241969
Energy: 2.308120323768647
Energy: 0.5283582078588158
Energy: 1.5066494010052662
Energy: 2.3422318746124016
Energy: 0.5491298724570959
Energy: 0.6310731991960121
Energy: 0.5277448026606314
Energy: 0.5286068461201282
Energy: 0.6323877122679972
Energy: 2.355567125779274
Energy: 0.5956947083470906
Energy: 2.358772050109139
Energy: 0.6303059030402955
Energy: 0.6000569883633591
Energy: 2.3588763589459836
Energy: 0.6300584713476797
Energy: 2.359483170702391
Energy: 0.5005621746722315
Energy: 2.3917444321445234
Energy: 2.4271181417835748
Energy: 0.501473210247977
Energy: 0.5993356357740225
Energy: 0.5191946243718273
Energy: 0.5724692466288273
Energy: 0.5379996097964643
Energy: 0.5346930721632009
Energy: 0.5603438182838703
Energy: 0.5597611453244242
Energy: 0.5377189289336709
Energy: 0.5641154523457338
Energy: 2.3407335640347666
Energy: 2.259119661055043
Energy: 0.5648238692389331
Energy: 2.2553785419970014
Energy: 0.5267517174352125
Energy: 0.5439342092909433
Energy: 0.5153884276962407
Energy: 0.5513946065508413
Energy: 0.5558689132717252
Energy: 0.5062701270186205
Energy: 0.5069502879717762
Energy: 0.5439955312120882
Energy: 0.5060171051778427
Energy: 0.5024377745606005
Energy: 0.5058425728393425
Energy: 0.501613111511831
Energy: 0.5164267984210239
Energy: 0.5357537211099742
Energy: 0.5396762442873746
Energy: 0.5068619079195128
Energy: 0.5022714592587104
Energy: 0.5177247996959125
Energy: 0.5019314899045123
Energy: 0.5032765249345462
Energy: 1.432132585218911
Energy: 1.4017667412086878
Energy: 0.5013341551946436
Energy: 0.520698116132805
Energy: 0.5120287486354282
Energy: 0.5069853201543548
Energy: 0.5076884105234516
Energy: 0.5024163002505101
Energy: 0.5013244333043708
Energy: 0.5554963632934299
Energy: 0.5024611356560653
Energy: 0.48635938781320875
Energy: 1.4609104435201785
Energy: 1.459631398446394
Energy: 0.4867138961631149
Energy: 0.5844953397995933
Energy: 0.509760632165222
Energy: 0.4849226654264051
Energy: 0.5603342686129427
Energy: 0.526462928381203
Energy: 0.4889162908480529
Energy: 0.5593308368936908
Energy: 1.4359903714970077
Energy: 0.5078795513331131
Energy: 0.520669445742587
Energy: 0.515800141438824
Energy: 0.5567384730710628
Energy: 0.5160172126451544
Energy: 1.4978950377470288
Energy: 0.6748079664746112
Energy: 2.297157906124752
Energy: 0.5238813316871079
Energy: 1.5197590081489314
Energy: 2.2457761537780465
Energy: 0.526380294446131
Energy: 1.598908419493333
Energy: 0.5563025825854148
Energy: 0.528209896353245
Energy: 1.5842517453878067
Energy: 1.45987033878836
Energy: 1.5470425595595103
Energy: 0.5192400559128547
Energy: 3.3454636635529242
Energy: 2.4432664604668783
Energy: 0.514992367098615
Energy: 1.5855761488937452
Energy: 0.6284658088110139
Energy: 2.399202181289289
Energy: 1.5724971988095024
Energy: 1.5746633643554582
Energy: 2.414516103496439
Energy: 0.6293797272712028
Energy: 2.470372791470798
Energy: 0.6704901967750618
Energy: 0.6148536230599725
Energy: 0.5614650473802748
Energy: 1.5142973265315034
Energy: 2.34337576610074
Energy: 0.5983702177798608
Energy: 0.5724367583167401
Energy: 2.3090371835169696
Energy: 0.5288151876012891
Energy: 1.5095234391257712
Energy: 2.341692800155301
Energy: 0.5636945390828668
Energy: 2.3605153221036876
Energy: 0.6285421555453796
Energy: 0.5281017251891271
Energy: 2.3537236679970195
Energy: 0.6293237628660378
Energy: 0.5259005675018685
Energy: 0.5019513782553618
Energy: 2.396239238606085
Energy: 2.4180788907763637
Energy: 0.6009882113595117
Energy: 0.6842211472089099
Energy: 0.6001773981738218
Energy: 0.5658465798785555
Energy: 0.5544259881039041
Energy: 0.5381393833902298
Energy: 0.5602258872837904
Energy: 0.5599696508231152
Energy: 0.5349293259532267
Energy: 0.5621873849285199
Energy: 2.3416958104532273
Energy: 0.5172053892576082
Energy: 0.561385581840543
Energy: 2.245308191444872
Energy: 0.5253315170753916
Energy: 0.5427159071703577
Energy: 0.5036503301926398
Energy: 0.5022338700714493
Energy: 0.557111838668346
Energy: 0.5151352121815539
Energy: 0.5135470884967389
Energy: 0.5473376590308107
Energy: 0.5063534731205477
Energy: 0.5115092653584266
Energy: 0.5064035319371215
Energy: 0.5021315428533278
Energy: 0.5085773679591103
Energy: 0.5723513005597107
Energy: 0.5024519943601837
Energy: 0.518400235052768
Energy: 0.5034607716996904
Energy: 0.5023576253009155
Energy: 0.501233083629749
Energy: 0.5022984333438699
Energy: 1.4472804755154296
Energy: 1.4461593376438102
Energy: 0.5018848121418312
Energy: 0.545049658872671
Energy: 0.5036576182271065
Energy: 0.5048237650851732
Energy: 0.5111726476599303
Energy: 0.5064247470912874
Energy: 0.501179643046391
Energy: 0.5080712634319917
Energy: 0.5022289960878917
Energy: 0.48667677941912
Energy: 1.4587133646345682
Energy: 1.4699952410308208
Energy: 0.4870494963503124
Energy: 0.5253167045353072
Energy: 0.5077050736797012
Energy: 0.486658129633512
Energy: 0.5613143658558083
Energy: 1.4343270779226291
Energy: 0.4878048224616951
Energy: 0.5591042918045961
Energy: 1.4256524775316188
Energy: 0.5080405529989286
Energy: 0.515652754311007
Energy: 1.5012374624654587
Energy: 0.556804155135406
Energy: 0.515853489151839
Energy: 1.5294352880931585
Energy: 0.6653487644754265
Energy: 2.2577126292825587
Energy: 2.337501600282823
Energy: 1.5261429999349696
Energy: 0.48972561163033085
Energy: 0.5268089334747822
Energy: 1.5734482681630422
Energy: 1.4673776487816668
Energy: 0.5275597334466356
Energy: 1.593119255329327
Energy: 1.5299985225310806
Energy: 0.5946613967890849
Energy: 0.5186141091846792
Energy: 3.3422352104331936
Energy: 2.4144585762097246
Energy: 0.5144231918346163
Energy: 1.5973704862746088
Energy: 0.517223202508433

minimum gb energy = 0.4849226654264051 eV
minimum distance =  2.50731251378414 Angstroms
sigma value = 41


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

Energy: 0.8019173330195354
Energy: 0.5596729670867229
Energy: 0.7826960339994017
Energy: 0.6352931136901232
Energy: 1.9996904651411527
Energy: 3.0783098552308803
Energy: 0.624108774690606
Energy: 0.5642949496929154
Energy: 1.9317462809000456
Energy: 1.9315437730443894
Energy: 0.6475496075576743
Energy: 1.9344681339216907
Energy: 0.6975001682863763
Energy: 0.563457376208081
Energy: 0.5611289902970948
Energy: 0.585216087690853
Energy: 0.5701208118286017
Energy: 0.5611102765199638
Energy: 0.6507774329224068
Energy: 0.5686877793279451
Energy: 0.5637019708368511
Energy: 0.586051410692419
Energy: 0.5704499518688458
Energy: 3.1168483669458955
Energy: 0.5839315885889688
Energy: 0.5675571283358659
Energy: 0.5628351856711691
Energy: 0.575935748513739
Energy: 0.6457445436893606
Energy: 0.5642557863261122
Energy: 0.6592936762578899
Energy: 0.5639292612422288
Energy: 0.5627354868759175
Energy: 0.5737567114945057
Energy: 0.593506482872017
Energy: 3.0329990536384064
Energy: 0.5841631000864282
Energy: 0.57842425909719
Energy: 0.5778035527553596
Energy: 0.5758775201722475
Energy: 0.5749857124808354
Energy: 0.5625630828365452
Energy: 0.5840762023404523
Energy: 0.5629688489496713
Energy: 0.5648326606826394
Energy: 0.5852652723218318
Energy: 0.5714095371797123
Energy: 0.5655537728604451
Energy: 0.637134966521035
Energy: 0.5623527682376328
Energy: 0.5640937607123928
Energy: 0.5603155423087937
Energy: 0.573014385776981
Energy: 0.5641174508337446
Energy: 1.8483544414139812
Energy: 0.5771887106843386
Energy: 0.5748821005273362
Energy: 1.809229929759661
Energy: 0.5819369703534034
Energy: 0.5634564847427357
Energy: 0.6578115105290043
Energy: 1.8602353768101998
Energy: 1.8333586361403595
Energy: 0.6379993458396633
Energy: 0.5509379909377791
Energy: 1.817983781627489
Energy: 0.7005459549889322
Energy: 0.5507421758251274
Energy: 0.5518500816711787
Energy: 1.9265173137401232
Energy: 0.5542608946939207
Energy: 0.6376035425620667
Energy: 1.9296389186975202
Energy: 1.8200687211586606
Energy: 0.5726388085522303
Energy: 1.9177099475145942
Energy: 1.8917959258508579
Energy: 0.5715744800151525
Energy: 0.6250231729951975
Energy: 1.861339106000153
Energy: 0.5545517522765453
Energy: 0.5508006864963936
Energy: 1.9424129843099425
Energy: 2.991709445711689

minimum gb energy = 0.5507421758251274 eV
minimum distance =  0.890890825521225 Angstroms
sigma value = 11


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

Energy: 1.021958732296341
Energy: 1.9462267468926158
Energy: 1.8450932974040495
Energy: 0.6758644191721491
Energy: 2.5028482115551105
Energy: 0.7937036406463582
Energy: 1.2938179282328783
Energy: 0.6551662049772213
Energy: 0.6487916718841311
Energy: 2.3332286708017502
Energy: 0.6479827489665632
Energy: 1.2048036454050952
Energy: 0.7679236091463337
Energy: 1.7852375917161447
Energy: 0.645357814755325
Energy: 0.6519268583361687
Energy: 1.7394988743381998
Energy: 0.6438634368491244
Energy: 0.6858727270285827
Energy: 0.6469084655713956
Energy: 1.729035845106749
Energy: 0.6460954864169047
Energy: 0.6490379079260673
Energy: 1.7294323099148947
Energy: 0.6845806490706167
Energy: 0.6521375052769666
Energy: 0.653818597243981
Energy: 0.6502254357949845
Energy: 0.649484956809402
Energy: 0.6503099251592281
Energy: 0.6861762373218444
Energy: 0.6673894409923815
Energy: 0.6628422307636999
Energy: 0.6513459348734012
Energy: 0.6494902577683964
Energy: 0.6553289183710916
Energy: 0.6667028534920484
Energy: 1.1964371591259564
Energy: 1.1956521078750928
Energy: 0.6603695073130651
Energy: 0.6483435868464457
Energy: 0.6802331687389039
Energy: 0.6657687644507507
Energy: 0.648317909052236
Energy: 0.6486465966805158
Energy: 0.6488973107903048
Energy: 0.6586446065260018
Energy: 0.6482289900007991
Energy: 0.6495093407611701
Energy: 1.2135690584660674
Energy: 1.2133121776203426
Energy: 0.6391543968207022
Energy: 0.647864773079708
Energy: 1.7557499915714418
Energy: 0.6486869932986014
Energy: 1.2832403641033228
Energy: 1.2094825025628442
Energy: 0.6388429585449827
Energy: 0.6466297790669944
Energy: 1.786870269937014
Energy: 0.6660279060290129
Energy: 1.7592115014707124
Energy: 1.7651970190504425
Energy: 0.6486353385214404
Energy: 1.781415216799135
Energy: 1.761913372391632
Energy: 0.6490780215239176
Energy: 1.7582994456392869
Energy: 1.8415937518765633
Energy: 1.7466544254503393
Energy: 0.6527268392402618
Energy: 0.6513597340855547
Energy: 0.651154123913963
Energy: 0.6430405425445109
Energy: 0.6436585010591594
Energy: 0.6487776012620544
Energy: 1.782066474500332
Energy: 0.6715518242776993
Energy: 0.6589571097476521
Energy: 0.6463171460317626
Energy: 1.7661340237877132
Energy: 0.647138697547573
Energy: 0.6490215728205426
Energy: 1.7738838663087826
Energy: 1.7496147040080214
Energy: 0.6425924471501779
Energy: 0.6432593731351951
Energy: 1.789145472109868
Energy: 0.6423501473252641
Energy: 0.6418829313406996
Energy: 0.6404895003029974
Energy: 0.6432346475418828
Energy: 0.6432425440633825
Energy: 0.641230222112921
Energy: 0.642656866755586
Energy: 0.6509414822281477
Energy: 0.6420756214715136
Energy: 0.6420349286260828
Energy: 0.6432059039923426
Energy: 0.6450810035949376
Energy: 0.6443422334568623
Energy: 0.6755130207594069
Energy: 0.7974928085520242
Energy: 0.672998665622809
Energy: 1.2269802980659077
Energy: 0.6509334354270727
Energy: 0.701728243935313
Energy: 0.6889902972189375
Energy: 0.662665054544963
Energy: 0.6465771481724824
Energy: 0.6444817363542499
Energy: 0.6640556162727786
Energy: 0.6474031852042522
Energy: 0.6469068850967752
Energy: 0.660537898683133
Energy: 1.7175414524397496
Energy: 0.6488522545971858
Energy: 0.6479713350118925
Energy: 1.8438901331229087
Energy: 1.7703273419820218
Energy: 0.7069903562480782
Energy: 0.6477907890628266
Energy: 1.7911436192449919
Energy: 0.6451483732372191
Energy: 0.6513076048915777
Energy: 2.303227814452355
Energy: 1.7553404493228224
Energy: 0.6450880501251706
Energy: 1.7501048720058345
Energy: 1.856181632696652
Energy: 0.6447165446315142
Energy: 1.751719143068708
Energy: 0.6446596917566215
Energy: 1.7622932966076121
Energy: 1.7412114255326312
Energy: 0.6443959713572606
Energy: 1.7835647054089074
Energy: 1.8118488486553956
Energy: 0.7120415119463824
Energy: 0.6496971436557701
Energy: 0.6450641194594346
Energy: 0.6484687810906354
Energy: 0.6625466701252374
Energy: 0.6462950537507188
Energy: 0.7007654799731036
Energy: 1.7224504593023402
Energy: 1.7457593974958965
Energy: 0.7008217712035582
Energy: 0.6486774256647303
Energy: 0.6488316735559647
Energy: 0.6970983701648651
Energy: 0.6482605359601505
Energy: 0.6435893657766296
Energy: 0.6444202300282539
Energy: 0.6585495174957942
Energy: 0.6441896128813064
Energy: 0.6949452363387009
Energy: 0.6448993026408917
Energy: 0.6502980517243543
Energy: 0.6441565544002763
Energy: 0.6418790391080782
Energy: 0.6501381276536142
Energy: 0.6958946706081335
Energy: 1.1847422088960742
Energy: 1.2421728254616882
Energy: 0.6435204040166803
Energy: 0.6498045311885798
Energy: 0.6420451430909602
Energy: 0.7595992813629754
Energy: 1.7752679751006435
Energy: 1.7420660104574917
Energy: 0.7605541337930559
Energy: 0.6480461572869487
Energy: 0.6515830307781894
Energy: 1.309942052337755
Energy: 0.6494171060051486
Energy: 0.6534207194077017
Energy: 1.2272742769754295
Energy: 0.6499922039665704
Energy: 0.6430364226329169
Energy: 0.6422808749149264
Energy: 2.2940449569203385
Energy: 1.757966958273438
Energy: 0.6489838302438682
Energy: 2.2937949140931018
Energy: 1.82627648174671

minimum gb energy = 0.6388429585449827 eV
minimum distance =  0.92147888259522 Angstroms
sigma value = 57


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

Energy: 0.9128303420415825
Energy: 0.7433968270418702
Energy: 0.7458908152222092
Energy: 0.7473582317204004
Energy: 2.6905651773934993
Energy: 0.7502876505238044
Energy: 0.6375219463660331
Energy: 0.647565522968602
Energy: 0.6597706737131734
Energy: 2.595374317340242
Energy: 0.6477530233714472
Energy: 2.6033287596862458
Energy: 0.6978165627075664
Energy: 0.6515593529103094
Energy: 0.6509041659878436
Energy: 0.6481330012936393
Energy: 0.6435135195471006
Energy: 4.496139644863275
Energy: 0.6463343360617189
Energy: 4.429213112761766
Energy: 4.424618399413241
Energy: 0.6465665830606695
Energy: 0.6437346831514827
Energy: 0.6480455372180375
Energy: 0.6674625058169418
Energy: 0.6458738245624789
Energy: 0.6472190893868277
Energy: 0.6472396849103844
Energy: 0.6454497172315762
Energy: 0.6494623237019381
Energy: 0.6482746417072297
Energy: 0.6624457077217422
Energy: 0.6719330443261939
Energy: 0.6521409992374905
Energy: 0.6617530780185352
Energy: 0.6527479641683153
Energy: 0.6605179373673977
Energy: 0.6508953170153008
Energy: 0.6632927196840616
Energy: 0.6605038922924157
Energy: 0.6524525359460773
Energy: 2.571010452804624
Energy: 0.7174932225260143
Energy: 2.53984689264616
Energy: 2.5291212369933906
Energy: 0.6477217721337284
Energy: 2.508863251642906
Energy: 0.6530914089449043
Energy: 0.6756294683583967
Energy: 2.6187472148475077
Energy: 0.6441923964575625
Energy: 0.6380321331760436
Energy: 2.598937731664932
Energy: 0.6450696660040729
Energy: 0.6744914583135673
Energy: 2.5703111675668646
Energy: 0.6449035217944795
Energy: 0.6382594294285905
Energy: 2.571234928019224
Energy: 0.6452761759848195
Energy: 0.7169126510401705
Energy: 2.5213326337417876
Energy: 2.5334662826628342
Energy: 0.6474519098706792
Energy: 4.4888546262599025
Energy: 0.6592462619711138
Energy: 0.648779592500481
Energy: 0.6957050659622365
Energy: 0.70534176951481
Energy: 0.6503177760493741
Energy: 0.6485424341606985
Energy: 4.4306813303066575
Energy: 0.6556176744378587
Energy: 0.6476907216984457
Energy: 0.6620670224393571
Energy: 0.6533677808955685
Energy: 0.6464072037348149
Energy: 0.6550005195988532
Energy: 0.6509127071081877
Energy: 0.6528005342203788
Energy: 0.6530080706457753
Energy: 0.653043605755198
Energy: 0.6966384438544065
Energy: 0.6506398689622602
Energy: 0.6632965683000167
Energy: 0.6450240649265012
Energy: 2.6031423897745256
Energy: 0.645844209764492
Energy: 0.6422724990792449
Energy: 2.5775475217012875
Energy: 0.6983253422533082
Energy: 0.6446319778144426
Energy: 0.6444129967905471
Energy: 0.6482694147679999
Energy: 0.6444806316219533
Energy: 2.513098445121818
Energy: 0.6374432267927567
Energy: 0.6473906052236834
Energy: 2.607601312086578
Energy: 0.6482841096904296
Energy: 0.6480039803534213
Energy: 2.656885678317888

minimum gb energy = 0.6374432267927567 eV
minimum distance =  0.913422890335188 Angstroms
sigma value = 9


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

Energy: 2.2917986168967253
Energy: 2.286424103004908
Energy: 0.7447420774405147
Energy: 0.7050181872622258
Energy: 3.286029776915215
Energy: 0.7421054114561497
Energy: 0.7790385498498672
Energy: 0.704665204987877
Energy: 0.6902818187307933
Energy: 1.4916441384919146
Energy: 0.7005862869491031
Energy: 1.490431715629764
Energy: 0.7021037159112776
Energy: 0.6924540173541873
Energy: 2.241857242741521
Energy: 0.7173043300446776
Energy: 0.6980890435791458
Energy: 1.4845618266025276
Energy: 0.7106681105224759
Energy: 0.6941048307575975
Energy: 0.6919482476561485
Energy: 0.7065120054265589
Energy: 1.476400199703074
Energy: 0.6911792792056946
Energy: 1.4418961866029811
Energy: 0.6873066347856901
Energy: 0.6867776586017743
Energy: 1.4385161671883222
Energy: 0.6913114938383633
Energy: 0.6885708316935993
Energy: 0.7027925880236167
Energy: 0.6865728227864042
Energy: 0.6845245288079362
Energy: 0.6980490195492192
Energy: 0.688419383357645
Energy: 0.6845593692634415
Energy: 0.6959296941545965
Energy: 0.6839572027388399
Energy: 2.236644641476337
Energy: 1.4973221364802238
Energy: 0.690711507314645
Energy: 2.2384383817869864
Energy: 0.7087637507152965
Energy: 0.6951173126015683
Energy: 1.485072765773074
Energy: 0.6885760788581388
Energy: 0.7001404836083969
Energy: 1.4821359211862748
Energy: 0.7915424851785007
Energy: 2.2383820330107373
Energy: 2.2692850369082143
Energy: 0.6963200406844776
Energy: 0.688910523470381
Energy: 0.6890870725932602
Energy: 0.7932002193997301
Energy: 0.6835279503920884
Energy: 2.280049898071353
Energy: 0.6978160316744253
Energy: 0.6875956263222063
Energy: 2.228284076172382
Energy: 0.711815938109943
Energy: 0.6901617182895683
Energy: 0.6858693322530144
Energy: 0.6876347873989495
Energy: 0.7002424611685774
Energy: 0.6845500419200703
Energy: 0.7080779466276156
Energy: 0.6944962458619544
Energy: 0.6930205290274024
Energy: 0.6970119322652235
Energy: 0.6981578803159947
Energy: 0.7010694779804821
Energy: 0.8197642485970524
Energy: 1.487193968283884
Energy: 1.490304300226476
Energy: 0.6985272538763697
Energy: 0.6952914258366961
Energy: 0.683547279463897
Energy: 0.8109229227291516
Energy: 0.6914618478799847
Energy: 0.6910239151206832
Energy: 0.6916488488349292
Energy: 0.6938761574582711
Energy: 1.4701806452464063
Energy: 0.7072026259407663
Energy: 0.6881223431727306
Energy: 0.6855246180168006
Energy: 0.7031150398567718
Energy: 2.249361415606758
Energy: 2.288356800089433
Energy: 0.7018549903655084
Energy: 0.6915128597284222
Energy: 2.2331795801785606
Energy: 2.2723548243445255
Energy: 0.6949755468178842
Energy: 0.683195810192173
Energy: 0.7308658199408922
Energy: 0.6940321020290674
Energy: 0.6926324976450443
Energy: 0.699200841494421
Energy: 0.6954055858550536
Energy: 0.6907980146504556
Energy: 2.2264638619268404
Energy: 0.691397655841473
Energy: 0.6915360219061005
Energy: 2.207395264899843
Energy: 0.691503520217534
Energy: 0.6925731992129635
Energy: 0.7069209496906177
Energy: 1.4658903808128096
Energy: 1.4655206988719356
Energy: 0.7081765990960219
Energy: 0.7004225451607662
Energy: 0.6909728872358034
Energy: 0.7016223427912903
Energy: 1.4657789632244504
Energy: 1.473196566546118
Energy: 0.695661273576204
Energy: 1.4682470658224873
Energy: 0.6898590881678205
Energy: 0.76609583115788
Energy: 1.505255240338772
Energy: 1.531894383683375
Energy: 0.7031677781328028
Energy: 0.6947440075223184
Energy: 1.503070712737169

minimum gb energy = 0.683195810192173 eV
minimum distance =  0.921616888280983 Angstroms
sigma value = 27


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

Energy: 0.9239276968727365
Energy: 0.7041785881830498
Energy: 0.6698390053853113
Energy: 0.6773169537456878
Energy: 2.218401382778676
Energy: 0.6678399680345704
Energy: 0.7206799326977
Energy: 0.714334854883541
Energy: 0.7091417020427184
Energy: 2.0704566379677156
Energy: 0.6994491211334407
Energy: 2.080329767264265
Energy: 0.7093880778448689
Energy: 4.589849398189666
Energy: 0.7107124923305731
Energy: 0.6733173376556412
Energy: 0.6757116786665397
Energy: 0.7124251642928138
Energy: 0.7198671193802952
Energy: 0.7057678019763852
Energy: 0.7037620641967077
Energy: 0.7124743184548643
Energy: 0.7081897268588128
Energy: 0.703012363684223
Energy: 0.6877033252643511
Energy: 0.7124851710482624
Energy: 0.710027994566749
Energy: 0.6785867929839555
Energy: 0.7130444552924741
Energy: 1.9760509299612337
Energy: 0.7212753543834584
Energy: 1.358623946683549
Energy: 0.7118095375166122
Energy: 0.7101491950119616
Energy: 1.3568948208519638
Energy: 0.7073140265812258
Energy: 0.7136640578772755
Energy: 0.6779933804520667
Energy: 0.6714320112685775
Energy: 1.3684849184883061
Energy: 0.66771745110513
Energy: 0.6706111605315477
Energy: 0.7415313050291686
Energy: 0.6800044776295698
Energy: 1.3541250820430477
Energy: 0.6822798323371194
Energy: 0.6819217119578902
Energy: 1.35942790625412
Energy: 4.556717162491164
Energy: 0.6687712749564712
Energy: 0.6577323985387601
Energy: 4.550193211646577
Energy: 0.6686872706610348
Energy: 0.6589773265717437
Energy: 4.543118463683824
Energy: 0.6433575245218495
Energy: 0.6379225141934538
Energy: 4.556247794994273
Energy: 0.6475340780548173
Energy: 0.6353148976415737
Energy: 0.7411654727649171
Energy: 1.9496673881951319
Energy: 1.946373132974548
Energy: 0.679236622072048
Energy: 0.6800339859111447
Energy: 0.7129026441982269
Energy: 0.6577037735809649
Energy: 0.6428197675675325
Energy: 0.6384787185927399
Energy: 0.6578139548419233
Energy: 0.6450974561850737
Energy: 0.6361018847787752
Energy: 0.6500843581081253
Energy: 0.6384048008609465
Energy: 0.6371467072882209
Energy: 0.6455602799984455
Energy: 0.6394923522502808
Energy: 0.6375721766702321
Energy: 0.6568503022570533
Energy: 0.6407764058752714
Energy: 0.6424495677708386
Energy: 0.6485959591971056
Energy: 0.6350250335993594
Energy: 0.642201070079428
Energy: 0.6518976269653176
Energy: 0.6384729040415389
Energy: 0.6355967462060057
Energy: 0.6527466242875315
Energy: 0.6400250766787406
Energy: 0.6344619333229599
Energy: 0.7356209194244023
Energy: 4.533894242582132
Energy: 0.6360441294640773
Energy: 0.641889099352987
Energy: 4.5229315231060525
Energy: 0.6362867191593483
Energy: 0.6870478226939369
Energy: 0.6472980846822457
Energy: 0.6458633214192501
Energy: 0.6844469042323406
Energy: 0.651399368492671
Energy: 0.6475288276403044
Energy: 1.351003855722208
Energy: 0.669298653247076
Energy: 0.6689790253105646
Energy: 0.7067730753919199
Energy: 0.676692415148148
Energy: 0.6671529860185291
Energy: 0.7484139884474318
Energy: 0.6759859656429599
Energy: 0.6741374808523828
Energy: 1.417971982739971
Energy: 0.6787844259257806
Energy: 0.672988913773158
Energy: 0.7158520780254308
Energy: 0.6779189034856082
Energy: 0.6744050904372465
Energy: 1.3597568613557232
Energy: 0.678679834363103
Energy: 0.6750145286162985
Energy: 1.4057669427863941
Energy: 0.7140269179592442
Energy: 0.7030430757770441
Energy: 1.3422226930053767
Energy: 0.7134367060575891
Energy: 0.7031814939927458
Energy: 0.6812871643515493
Energy: 0.7160079222412347
Energy: 0.7141329128214629
Energy: 0.6838708914566357
Energy: 0.71791712417738
Energy: 0.7021578986244543
Energy: 0.7505822895032128
Energy: 2.0308365165014486
Energy: 0.7160314396568643
Energy: 0.7198758996603611
Energy: 2.023253557937646
Energy: 0.7165395782847019
Energy: 0.735524541184842
Energy: 2.021088958091694
Energy: 0.7128308111501713
Energy: 0.7230263554090272
Energy: 2.006733781632691
Energy: 0.7112872001676256
Energy: 0.7283744558711877
Energy: 2.070194319947176
Energy: 2.0655478499737048
Energy: 0.6811218130469238
Energy: 2.0747314221800117
Energy: 0.6785069399749892

minimum gb energy = 0.6344619333229599 eV
minimum distance =  2.46675525302696 Angstroms
sigma value = 19


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

Energy: 0.7085008334043275
Energy: 2.236333833168884
Energy: 2.054196883042891
Energy: 0.6673563105534258
Energy: 2.8283986915488217
Energy: 2.0649896005618418
Energy: 1.8708339572115127
Energy: 0.660867915606985
Energy: 0.6685168372865979
Energy: 2.3672678212761546
Energy: 0.6632733656597126
Energy: 1.2954936397709287
Energy: 0.7157493457299737
Energy: 1.7563652651777766
Energy: 0.6595105580991444
Energy: 0.6636778297246894
Energy: 1.7548896293413863
Energy: 0.6618832438065836
Energy: 0.6739676408283636
Energy: 0.6627480901834465
Energy: 0.6671647833474207
Energy: 0.6661452594025402
Energy: 0.6626142249404621
Energy: 0.6649650346778094
Energy: 0.673913516890022
Energy: 0.6645896977351579
Energy: 1.2215842198856155
Energy: 0.6697110252839139
Energy: 0.6648847327625238
Energy: 1.2172861255806646
Energy: 0.6678136579696455
Energy: 0.6698386491391071
Energy: 0.6644424514794742
Energy: 0.6654766194897056
Energy: 0.6627212293650627
Energy: 0.6713787001323469
Energy: 0.6781872037832214
Energy: 1.7777474358741572
Energy: 0.6539318080985161
Energy: 1.82208025298132
Energy: 1.7604373819605472
Energy: 0.6570339239851589
Energy: 0.6603873792449847
Energy: 1.8225276893394973
Energy: 1.8654174045629615
Energy: 0.6649681479736494
Energy: 1.7887400275915464
Energy: 1.8270479604256278
Energy: 0.6653067826988278
Energy: 0.662158957989572
Energy: 0.6599713049643091
Energy: 0.6577336171837522
Energy: 0.6640839941365705
Energy: 0.6597823629756825
Energy: 0.6690401489881309
Energy: 0.6671396244085391
Energy: 0.6652630566334832
Energy: 0.6573132904272274
Energy: 0.6652079941549938
Energy: 0.6631328952690241
Energy: 0.7096389043479671
Energy: 1.7591627086156023
Energy: 0.648589322210477
Energy: 0.6697599276577425
Energy: 1.758781944341442
Energy: 0.6511548600007907
Energy: 0.730485258122281
Energy: 0.6501155573225118
Energy: 0.6486821872881003
Energy: 0.6649660987375358
Energy: 0.6423186246228617
Energy: 0.6567790442133419
Energy: 0.6924936183219436
Energy: 1.82075568392141
Energy: 0.6660060607615804
Energy: 0.6638622663314921
Energy: 1.821464227270201
Energy: 1.7951127359645853
Energy: 1.7857264053851443
Energy: 0.658678314568284
Energy: 1.817863936587421
Energy: 1.7688165435578438
Energy: 0.6437707486443903
Energy: 1.7986907151163323
Energy: 0.7064805733765996
Energy: 0.6438773873042611
Energy: 0.6474441295490052
Energy: 0.6521167837092118
Energy: 0.6416684554148546
Energy: 0.6485976050081551
Energy: 0.7176132293693305
Energy: 0.64496168675994
Energy: 0.6468323155704633
Energy: 0.6447423900261252
Energy: 0.6422141500361479
Energy: 0.6487058374598182
Energy: 0.6554747950342582
Energy: 1.2431287553572765
Energy: 1.2079879734999899
Energy: 0.6446221653041861
Energy: 1.246139823187951
Energy: 1.7546840977560025
Energy: 0.6766878895884831
Energy: 0.6644921500039201
Energy: 1.2378833184961466
Energy: 0.6430824572543932
Energy: 0.6435541687384165
Energy: 1.2643128771922179
Energy: 0.714928563725295
Energy: 0.641929379223192
Energy: 0.6619472340057979
Energy: 0.6518984875725261
Energy: 0.6452576457316022
Energy: 1.803179948812103
Energy: 0.6435068785242988
Energy: 0.6427964221434438
Energy: 0.6748361653574533
Energy: 0.6441360903288784
Energy: 0.6460576985380125
Energy: 1.8002861575098101
Energy: 0.6426938698388255
Energy: 0.6465979786638564
Energy: 0.6460856592080227
Energy: 0.6431274577875121
Energy: 0.6459474484911559
Energy: 0.6444832479875668
Energy: 0.6450630905914976
Energy: 0.6473406913570806
Energy: 0.6474602126478309
Energy: 0.6427286092060476
Energy: 0.6486584085829697
Energy: 0.6474194378976434
Energy: 0.6599190517530035
Energy: 0.6798918608917265
Energy: 0.6777646289760485
Energy: 1.2260035294331355
Energy: 0.6358221075220205
Energy: 1.823709174820433
Energy: 0.6906664832406783
Energy: 0.6441264645304096
Energy: 0.6708396491465003
Energy: 0.6548677306092013
Energy: 0.6391723657505282
Energy: 1.8181952722149952
Energy: 1.7724646923048866
Energy: 0.6489720620429621
Energy: 0.6492227470119284
Energy: 1.767883987157579
Energy: 0.6716441564802365
Energy: 0.6485814709952482
Energy: 0.6674789566949791
Energy: 0.6689668162367197
Energy: 0.6666639285832732
Energy: 0.658341125016245
Energy: 0.670931345684751
Energy: 1.2117309393949067
Energy: 0.7103736474772683
Energy: 1.2013758534178953
Energy: 0.6587004489506845
Energy: 0.6623013427256623
Energy: 1.2020130166064065
Energy: 0.660166285691651
Energy: 0.7136310893971228
Energy: 0.6573229600458752
Energy: 0.6579224828679866
Energy: 0.6647311996706474
Energy: 0.6566428712052785
Energy: 0.6651605906852345
Energy: 0.6755061059297939
Energy: 2.387950821608565
Energy: 2.3996489275694417
Energy: 0.6391489318834341
Energy: 1.274353443993881
Energy: 0.6419900639915771

minimum gb energy = 0.6358221075220205 eV
minimum distance =  2.47072406336228 Angstroms
sigma value = 101


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

Energy: 1.010188201522146
Energy: 2.864092911289773
Energy: 2.864219260687317
Energy: 0.6268394148472556
Energy: 1.6894289098809214
Energy: 0.6280820503807863
Energy: 0.7090002322804564
Energy: 0.6327599196426853
Energy: 0.6251141567209028
Energy: 1.6628281382766668
Energy: 0.6254467966853053
Energy: 1.727480678012055
Energy: 0.713047845962657
Energy: 1.5822499056789714
Energy: 0.6343060788328101
Energy: 0.6416289105737591
Energy: 2.5459152051084386
Energy: 0.6360533241901687
Energy: 0.6424049338337207
Energy: 0.6269343718067355
Energy: 0.6401203054329431
Energy: 0.6278958640758958
Energy: 0.6269384478387573
Energy: 0.6274440725292254
Energy: 0.6370748860004256
Energy: 1.626884752369665
Energy: 1.6086999691393922
Energy: 0.6379482792986413
Energy: 0.6362158219639408
Energy: 0.6416742654640453
Energy: 0.6367553782748959
Energy: 0.6275594043703676
Energy: 0.6299249575203217
Energy: 0.6245262996666952
Energy: 0.6265052119171449
Energy: 0.6268838949574068
Energy: 0.6786741151124441
Energy: 0.6205441928831201
Energy: 0.6326291039669785
Energy: 2.67218751542607
Energy: 2.552087647305851
Energy: 0.6333136271237398
Energy: 0.6260157940544129
Energy: 2.6611158852439303
Energy: 2.6616810857927624
Energy: 0.6255682445010227
Energy: 0.629599635879785
Energy: 2.6883040681602006
Energy: 0.6269289418074595
Energy: 0.6402418342828935
Energy: 0.6351171505718415
Energy: 0.621810780593431
Energy: 0.6434595150809764
Energy: 0.6313783918831822
Energy: 0.6291855956462374
Energy: 0.6494737823293254
Energy: 0.6330522899073954
Energy: 0.6214874880310592
Energy: 0.6381962696093189
Energy: 0.6341496754595083
Energy: 0.7080925337436185
Energy: 0.624472313103587
Energy: 0.6262523440274961
Energy: 1.7460674985493772
Energy: 2.5475457823415075
Energy: 0.6267018135826715
Energy: 0.6831742608393201
Energy: 1.6179574261213963
Energy: 1.6153340950841624
Energy: 0.6290217480891096
Energy: 1.6178214776915483
Energy: 0.6409314664612684
Energy: 0.6300304056509953
Energy: 0.6368659274248654
Energy: 2.5810583694726414
Energy: 0.6280551488311226
Energy: 0.6343374566500244
Energy: 2.5755506928420093
Energy: 0.638346938886284
Energy: 0.6279352681785001
Energy: 0.6288126367151933
Energy: 0.6256550559978686
Energy: 0.6274121912606997
Energy: 0.6285803370167549
Energy: 0.7093766555137265
Energy: 1.5827368628771534
Energy: 0.629429152770155
Energy: 0.6377651646063153
Energy: 1.5741075745004318
Energy: 0.6326459635946367
Energy: 0.7130067553086955
Energy: 0.6277717617451299
Energy: 0.6283420905717957
Energy: 0.6302826070567445
Energy: 0.6321468371026288
Energy: 0.6328846899694822
Energy: 0.6187676402863972
Energy: 1.7536160770777156
Energy: 2.616192760385775
Energy: 0.6034806029783886
Energy: 1.716065757942504
Energy: 0.6216798018167087
Energy: 2.607308884120998
Energy: 1.6611821739855572
Energy: 1.7127404951415515
Energy: 2.5867980937607253
Energy: 0.6271462354898992
Energy: 0.6091709893064083
Energy: 0.715511892894191
Energy: 0.626027301047776
Energy: 0.6274339966098496
Energy: 0.6384703377018319
Energy: 1.5847813433925833
Energy: 0.6359556702157391
Energy: 0.6705055383016866
Energy: 0.6277699960944646
Energy: 0.6307531082764692
Energy: 0.6293005042284959
Energy: 0.6270087622422699
Energy: 0.6333290167894061
Energy: 0.6387429895862403
Energy: 1.6201444693661797
Energy: 1.6032364550946085
Energy: 0.6398323322144318
Energy: 0.6354803099886087
Energy: 0.6414892694888968
Energy: 1.6205308392456341
Energy: 0.6316012017024019
Energy: 0.6309913452055927
Energy: 1.6230666276777124
Energy: 0.6310842151065142
Energy: 0.6268975193617965
Energy: 0.6375867382265058
Energy: 0.6327221564242419
Energy: 0.6274854252911276
Energy: 0.6226325082717058
Energy: 0.6334776323815184
Energy: 0.6339926708817067
Energy: 0.6276609205244762
Energy: 0.6262615238271814
Energy: 0.6279472027328866
Energy: 0.6249721517664393
Energy: 0.6251295508854409
Energy: 2.6667283142525755
Energy: 0.6297977427049626
Energy: 0.6352052946877723
Energy: 0.6340308732204687
Energy: 0.6223420267335794
Energy: 0.6377282216847984
Energy: 0.6297311491127342
Energy: 0.6262355991227917
Energy: 0.6322258968674559
Energy: 0.6363315826366296
Energy: 0.6204038702369946
Energy: 0.6335996375097087
Energy: 0.6342024189880919
Energy: 0.6562511426372603
Energy: 0.6148582453830141
Energy: 0.6179281076576935
Energy: 1.6398615042918931
Energy: 0.6139569273339758
Energy: 0.6212119582107319
Energy: 0.6808177767481797
Energy: 0.6185352296558595
Energy: 0.6202022177671916
Energy: 0.627775457073718
Energy: 0.6165892143259288
Energy: 1.6154294640230762
Energy: 0.6353377359854355
Energy: 0.636017092015142
Energy: 0.632887795336002
Energy: 0.6237442770136473
Energy: 0.6349659792166142
Energy: 2.5857204179619444
Energy: 0.6351428819608423
Energy: 0.6359869737841727
Energy: 2.607382362451115
Energy: 0.6209091835769437
Energy: 0.6285276100079994
Energy: 2.5738897407863046
Energy: 0.7030264057177535
Energy: 0.6249459217221559
Energy: 0.6314027161599783
Energy: 0.6296327353272282
Energy: 1.5804760489525216
Energy: 0.6342720954089915
Energy: 0.7127230568550822
Energy: 0.6258582922332875
Energy: 0.626991531242719
Energy: 0.6334628225879394
Energy: 0.6255322114192259
Energy: 0.6353660999051506
Energy: 0.622192716722884
Energy: 1.7572337771350452
Energy: 0.6192551582477642
Energy: 0.6145159823044353
Energy: 1.680638860899135
Energy: 2.5950971964056464

minimum gb energy = 0.6034806029783886 eV
minimum distance =  0.905480415442914 Angstroms
sigma value = 33


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

Energy: 0.014775089899222143
Energy: 0.015436215566560092
Energy: 0.015485680689581246
Energy: 0.016409165546186363
Energy: 4.3528006492815585
Energy: 0.015264933224142017
Energy: 0.01628138277566996
Energy: 0.08753887939440289
Energy: 4.329387488767861
Energy: 4.324382943798362
Energy: 0.08898428862804772
Energy: 4.320596933959044
Energy: 0.9347407754217653
Energy: 0.6730850348234019
Energy: 0.6711418696787937
Energy: 0.6740436153617532
Energy: 0.6748022087901859
Energy: 0.6710862967796946
Energy: 4.314834141684898
Energy: 0.0875388793947656
Energy: 4.329387545064309
Energy: 4.3243828673796365
Energy: 0.08898428862954118
Energy: 4.320593255130841

minimum gb energy = 0.014775089899222143 eV
minimum distance =  0.89244472742138 Angstroms
sigma value = 1