Model name: model_name=MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049998879432679
cohesive_energy=3.36025423720221
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.48204252220488e-19, 3.913508689741079e-19, 4.1544760554946797e-19, 4.3201411194502795e-19, 4.44839535900198e-19, 4.555420758153179e-19, 4.64905196064414e-19, 4.733390538657899e-19, 4.81072760478108e-19, 4.8823128567882e-19, 4.94885125239822e-19, 5.010679248704279e-19, 5.06798910690246e-19, 5.120796848759099e-19, 5.1691024742742e-19, 5.212809852849719e-19, 5.25180683212128e-19, 5.28599728149084e-19, 5.31525302682768e-19, 5.33946191576742e-19, 5.358479752413e-19, 5.37219438440004e-19, 5.3805096811305e-19, 5.383297468473659e-19, 5.38022128933638e-19, 5.37020768537388e-19, 5.351942871746279e-19, 5.32384069358592e-19, 5.28396251716566e-19, 5.2299851863662e-19, 5.15905682677902e-19, 5.06762060627664e-19, 4.9513666697136e-19, 4.80483159476796e-19, 4.62119010897888e-19, 4.3918225020554395e-19, 4.1056417116903593e-19, 3.74838836584104e-19, 3.3013971067213794e-19, 2.74001043593412e-19, 2.0311594277534998e-19, 1.1298084991744139e-19, -2.6342667780901197e-21, -1.525244918565222e-19, -3.49389862929648e-19, -6.12090754723458e-19, -9.6954917918193e-19, -1.4673871159582137e-18, -2.17974528879066e-18, -3.23069305186296e-18, -4.83330227355414e-18, -7.35812436577572e-18, -1.1429431432199458e-17, -1.7908329326535e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010325842352997076
Energy: 0.011210307150226617
Energy: 0.50972305446138
Energy: 0.06594462932282949
Energy: 0.011210307150226617
Energy: 0.5284104682264701
Energy: 0.06594462932282949
Energy: 0.5284104682259704
Energy: 0.5097230544618518
Energy: 0.06594462932282949
Energy: 0.010325842352997076
Energy: 0.011210307149754661
Energy: 0.06594462932282949
Energy: 0.5284104682259704
Energy: 0.011210307150226617
Energy: 0.528410468226942

minimum gb energy = 0.010325842352997076 eV
minimum distance =  2.7008445173013 Angstroms
sigma value = 1


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

Energy: 0.9312555050923055
Energy: 0.6200509228417974
Energy: 0.6370697777814995
Energy: 0.6683785683160833
Energy: 0.5818704890736346
Energy: 0.609646482092418
Energy: 0.572630883931808
Energy: 0.609646482092418
Energy: 0.6202760732263042
Energy: 0.6496772964543358
Energy: 1.0112279803920508
Energy: 0.6496772964543358
Energy: 0.6184659244117745
Energy: 0.586180939145292
Energy: 0.5726919548645011
Energy: 0.5861809391458981
Energy: 0.6021327954208195
Energy: 0.6181604617911619
Energy: 0.5730152006197738
Energy: 0.6181604617911619
Energy: 0.6184713242982679
Energy: 0.6110041275441368
Energy: 0.5730864043914768
Energy: 0.6110041275435584
Energy: 0.6087019553583416
Energy: 0.6137687180624539
Energy: 0.6032869939442058
Energy: 0.6137687180624539
Energy: 0.6049158575551817
Energy: 0.6038247449705519
Energy: 0.6552546613622596
Energy: 0.6038247449687337
Energy: 0.6200710805999144
Energy: 0.6139141881955876
Energy: 0.6212386258637498
Energy: 0.6139141881955876
Energy: 0.6506332207188575
Energy: 0.6256845326926549
Energy: 0.6211567641630478
Energy: 0.625684532693261
Energy: 0.620273853084663
Energy: 0.612353934279705
Energy: 0.6392842679398291
Energy: 0.612353934279705
Energy: 0.6055148760274301
Energy: 0.6123316608557846
Energy: 0.6530185425763412
Energy: 0.6123316608563906
Energy: 0.6088124742377106
Energy: 0.6135812028323475
Energy: 0.5818714176729531
Energy: 0.6135812028323475
Energy: 0.605205694776292
Energy: 0.6130308449008234
Energy: 0.6164105448439284
Energy: 0.6130308449014295
Energy: 0.5817022237118451
Energy: 0.5885265817826516
Energy: 0.5775979935437752
Energy: 0.5885265817826516
Energy: 0.6055776143925006
Energy: 0.5864670844132137
Energy: 0.5724359613571263
Energy: 0.5864670844126076
Energy: 0.621167400162194
Energy: 0.60267629917672
Energy: 0.5603951832544946
Energy: 0.602676299176114
Energy: 0.5730127531134795
Energy: 0.5722557214182732
Energy: 0.582272883667521
Energy: 0.5722557214188793
Energy: 0.5719084002052749
Energy: 0.6015184467751413
Energy: 0.622055599719605
Energy: 0.6015184467757474
Energy: 0.6174974334507762
Energy: 0.5725262031727992
Energy: 0.5724092044983587
Energy: 0.5725262031721933
Energy: 0.5745257965663068
Energy: 0.617592466356881
Energy: 0.6022165414227766
Energy: 0.617592466356881
Energy: 0.5738393146398173
Energy: 0.5885004856207081
Energy: 0.6185200715630228
Energy: 0.588500485621314
Energy: 0.6032540781283421
Energy: 0.615484253196572
Energy: 0.6070870538898094
Energy: 0.615484253196572
Energy: 0.6514951599722272
Energy: 0.6121536826529498
Energy: 0.6052504702950973
Energy: 0.6121536826529498
Energy: 0.6423525632740185
Energy: 0.615861451817995
Energy: 0.6256031405652709
Energy: 0.6158614518173889
Energy: 0.6341931126194214
Energy: 0.6137385219194567
Energy: 0.6519153936372711
Energy: 0.6137385219194567
Energy: 0.6264414044014135
Energy: 0.6139619148551668
Energy: 0.6228096446569554
Energy: 0.6139619148551668
Energy: 0.6514144241788035
Energy: 0.6126928858978327
Energy: 0.6045709050685087
Energy: 0.6126928858972266
Energy: 0.5816700053265877
Energy: 0.6128345984705851
Energy: 0.6147795114739215
Energy: 0.6128345984705851
Energy: 0.5814583184698935
Energy: 0.6132725760472711
Energy: 0.6084918768156601
Energy: 0.6132725760472711
Energy: 0.5772174583886763
Energy: 0.5889051405912449
Energy: 0.5826005586204492
Energy: 0.588905140591851
Energy: 0.5723448306642893
Energy: 0.5900880630921207
Energy: 0.6054067469577816
Energy: 0.5900880630927268
Energy: 0.5601441313187284
Energy: 0.6022772352483032
Energy: 0.6216108842456598
Energy: 0.6022772352483032

minimum gb energy = 0.5601441313187284 eV
minimum distance =  2.50086671400709 Angstroms
sigma value = 1


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

Energy: 1.051895939368125
Energy: 0.6513621484055543
Energy: 0.6693151733315272
Energy: 0.7071280940268295
Energy: 0.6071484456352952
Energy: 0.634673525690657
Energy: 0.597261626855532
Energy: 0.634673525690657
Energy: 0.6509954816298853
Energy: 0.6518317440642292
Energy: 0.5970677088747084
Energy: 0.6518317440642292
Energy: 0.6492665660041496
Energy: 0.6150761278287067
Energy: 0.5971356764681288
Energy: 0.6150761278287067
Energy: 0.5953385713761795
Energy: 0.6487732975461976
Energy: 0.5974586965454771
Energy: 0.6487732975461976
Energy: 0.6496440407132261
Energy: 0.6429009765063177
Energy: 0.5971395240968249
Energy: 0.6429009765070088
Energy: 0.6379862944113296
Energy: 0.6466115562677797
Energy: 0.6301368534818124
Energy: 0.6466115562677797
Energy: 0.6315573369603802
Energy: 0.6352998078666225
Energy: 0.6881288818319045
Energy: 0.6352998078680044
Energy: 0.639640619130696
Energy: 0.6483502920356354
Energy: 0.649677839926223
Energy: 0.6483502920363265
Energy: 0.6866771138440966
Energy: 0.6629330056897554
Energy: 0.6329066877536118
Energy: 0.6629330056890644
Energy: 0.6067483877516471
Energy: 0.6443355407031677
Energy: 0.640379941531061
Energy: 0.6443355407031677
Energy: 0.6093483044127284
Energy: 0.6446704908455035
Energy: 0.6506330706393156
Energy: 0.6446704908448124
Energy: 0.6033490582745128
Energy: 0.6150090499971229
Energy: 0.6063404913321397
Energy: 0.615009049996432
Energy: 0.5963945273341367
Energy: 0.6158179697881234
Energy: 0.6336403241820646
Energy: 0.6158179697888143
Energy: 0.5816328249057885
Energy: 0.5967119290230634
Energy: 0.6511790186006614
Energy: 0.5967119290230634
Energy: 0.6074556718967502
Energy: 0.6166674662690805
Energy: 0.5971814382471136
Energy: 0.6166674662704624
Energy: 0.6532215216941604
Energy: 0.6299434927026164
Energy: 0.5949714835758897
Energy: 0.6299434927046895
Energy: 0.596169302329466
Energy: 0.596192283791423
Energy: 0.7111996125239352
Energy: 0.596192283792114
Energy: 0.595507317877875
Energy: 0.6482774910606244
Energy: 0.5990598689128344
Energy: 0.6482774910599335
Energy: 0.649411664893123
Energy: 0.6151988667191634
Energy: 0.5974503103413691
Energy: 0.6151988667191634
Energy: 0.6385698335011312
Energy: 0.6474681413035305
Energy: 0.6387486290255374
Energy: 0.6474681413028395
Energy: 0.6388535147670982
Energy: 0.6443980697439733
Energy: 0.6861208099220002
Energy: 0.6443980697453553
Energy: 0.6397728624996352
Energy: 0.6490898461697704
Energy: 0.665648585901318
Energy: 0.6490898461704615
Energy: 0.6861916468047639
Energy: 0.6468423430197131
Energy: 0.6321779930183749
Energy: 0.6468423430190221
Energy: 0.6074422342497319
Energy: 0.6445804700319533
Energy: 0.6793980124627055
Energy: 0.6445804700305713
Energy: 0.6078584634184305
Energy: 0.645152023022717
Energy: 0.638594632984341
Energy: 0.645152023023408
Energy: 0.6033442045583011
Energy: 0.6154561128533
Energy: 0.6067394935087628
Energy: 0.6154561128539909
Energy: 0.5966166024795297
Energy: 0.6154573181891324
Energy: 0.5814752251556131
Energy: 0.6154573181884413
Energy: 0.5815154037005624
Energy: 0.5961942598479004
Energy: 0.6525079715488286
Energy: 0.5961942598485914

minimum gb energy = 0.5814752251556131 eV
minimum distance =  2.50094683870932 Angstroms
sigma value = 25


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

Energy: 0.9942722697792572
Energy: 0.6849121959326094
Energy: 0.7122040753760515
Energy: 0.7436747921486235
Energy: 0.6346739456498143
Energy: 0.6595857379719651
Energy: 0.6209733968574483
Energy: 0.6595857379719651
Energy: 0.6832320580190453
Energy: 0.6830524167984219
Energy: 0.621758932936242
Energy: 0.6830524167984219
Energy: 0.6205118971133629
Energy: 0.6435285438743684
Energy: 0.6205359381683982
Energy: 0.6435285438743684
Energy: 0.621646143010425
Energy: 0.6823491537953069
Energy: 0.6200413507254192
Energy: 0.6823491537953069
Energy: 0.6839969869081903
Energy: 0.6435347555291733
Energy: 0.622364276586708
Energy: 0.6435347555291733
Energy: 0.6446583126677109
Energy: 0.6812070526178889
Energy: 0.6437999972739408
Energy: 0.6812070526170856
Energy: 0.6451914073329655
Energy: 0.6726214723090826
Energy: 0.724322042923295
Energy: 0.6726214723090826
Energy: 0.6689172870658655
Energy: 0.6806607076104217
Energy: 0.6347475210604603
Energy: 0.6806607076104217
Energy: 0.6853486354112487
Energy: 0.6813593720085126
Energy: 0.6208970177016421
Energy: 0.6813593720085126
Energy: 0.6030914152937338
Energy: 0.6427836110770039
Energy: 0.620724521385497
Energy: 0.6427836110770039
Energy: 0.6027740032041491
Energy: 0.64287467089614
Energy: 0.6208910843852334
Energy: 0.64287467089614
Energy: 0.7115691013830305
Energy: 0.7199200486944839
Energy: 0.6025764278123726
Energy: 0.7199200486944839
Energy: 0.6209429213606389
Energy: 0.6204684991655728
Energy: 0.6347748919206015
Energy: 0.6204684991647695
Energy: 0.6195359796949098
Energy: 0.6616989544420138
Energy: 0.6840580448985298
Energy: 0.6616989544420138
Energy: 0.7535791948609009
Energy: 0.6226910526819261
Energy: 0.6767799145331902
Energy: 0.6226910526819261
Energy: 0.621432531171986
Energy: 0.682650371729476
Energy: 0.6203392079326473
Energy: 0.682650371729476
Energy: 0.622261504231387
Energy: 0.6439140889463814
Energy: 0.6839976564582526
Energy: 0.6439140889463814
Energy: 0.650174387990484
Energy: 0.6831130322016503
Energy: 0.6534958387949559
Energy: 0.6831130322016503
Energy: 0.7243579775345425
Energy: 0.6818904166516848
Energy: 0.6518465679612716
Energy: 0.6818904166516848
Energy: 0.6347009066200239
Energy: 0.6811003855499629
Energy: 0.7307588171312999
Energy: 0.6811003855491596
Energy: 0.6376818649958471
Energy: 0.6823879501672749
Energy: 0.683892398592322
Energy: 0.6823879501664716
Energy: 0.6319927147938696
Energy: 0.6428487901840769
Energy: 0.6030572950684898
Energy: 0.6428487901840769
Energy: 0.6209818446504949
Energy: 0.6429135456111279
Energy: 0.6028659204286125
Energy: 0.6429135456111279
Energy: 0.6021970186921216
Energy: 0.6638526610662961
Energy: 0.6759795885760876
Energy: 0.6638526610662961

minimum gb energy = 0.6021970186921216 eV
minimum distance =  2.50650222425692 Angstroms
sigma value = 9


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

Energy: 0.9993061306957208
Energy: 0.6733462233330386
Energy: 0.7431801258858222
Energy: 0.7381441571520051
Energy: 0.7233266221268075
Energy: 0.6932579600165898
Energy: 0.7351868999305265
Energy: 0.6932579600165898
Energy: 0.7527919746057742
Energy: 0.7296868710448908
Energy: 1.166573796059101
Energy: 0.7296868710448908
Energy: 0.7370504783808729
Energy: 0.7202473835722126
Energy: 0.6638652124567622
Energy: 0.7202473835722126
Energy: 0.6365226294994094
Energy: 0.6857918907683954
Energy: 0.6602692818136036
Energy: 0.6857918907693537
Energy: 0.6864898540827369
Energy: 0.6795867467429627
Energy: 0.6621577344141049
Energy: 0.6795867467429627
Energy: 0.664760148166664
Energy: 0.73136825767683
Energy: 0.6631987135191459
Energy: 0.7313682576758718
Energy: 0.7100730253327622
Energy: 0.705716956067593
Energy: 0.7483559521737436
Energy: 0.705716956067593
Energy: 0.6963489022468874
Energy: 0.7405911977215429
Energy: 0.6721544946960324
Energy: 0.740591197722501
Energy: 0.6607992131319438
Energy: 0.7100398749181462
Energy: 0.6424786379577557
Energy: 0.7100398749181462
Energy: 0.6202550509294009
Energy: 0.7228056414229586
Energy: 0.6321027020348247
Energy: 0.7228056414229586
Energy: 0.6604337636335751
Energy: 0.6210877873794756
Energy: 0.6327373158034151
Energy: 0.6210877873785171
Energy: 0.7744666854503428
Energy: 0.7955203638232929
Energy: 0.7734606892318319
Energy: 0.7955203638232929
Energy: 0.7845930347953561
Energy: 0.6839300178877893
Energy: 0.7721349948771183
Energy: 0.6839300178877893
Energy: 0.6372475566308394
Energy: 0.7411339620316573
Energy: 0.6593673539671192
Energy: 0.7411339620316573
Energy: 0.7008799591275054
Energy: 0.6730277563521184
Energy: 0.6602646154827266
Energy: 0.6730277563511602
Energy: 0.6647247380400908
Energy: 0.7254514714648104
Energy: 0.6682321941779981
Energy: 0.7254514714648104
Energy: 0.6642545460168682
Energy: 0.7285536102459648
Energy: 0.7352432206399708
Energy: 0.7285536102459648
Energy: 0.6727451273222149
Energy: 0.6868377157643426
Energy: 0.6727232609467128
Energy: 0.6868377157662591
Energy: 0.6542956616058276
Energy: 0.6898932818601978
Energy: 0.6752365634167
Energy: 0.6898932818601978
Energy: 0.6743347316072817
Energy: 0.6596893749067074
Energy: 0.7262643482458441
Energy: 0.6596893749057492

minimum gb energy = 0.6202550509294009 eV
minimum distance =  2.55640561181288 Angstroms
sigma value = 25


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

Energy: 0.7597667050620998
Energy: 0.6256989974131347
Energy: 0.7732172402550057
Energy: 0.7729347878876088
Energy: 0.7511656151222028
Energy: 0.6668052873484468
Energy: 0.6662602158257501
Energy: 0.6668052873484468
Energy: 0.7703105329567171
Energy: 0.7407520522183031
Energy: 0.969628080499536
Energy: 0.7407520522183031
Energy: 0.7134270682104105
Energy: 0.6906743102940062
Energy: 0.642013683555759
Energy: 0.6906743102940062
Energy: 0.659160948671342
Energy: 0.6897447791267726
Energy: 0.6601522150799845
Energy: 0.6897447791267726
Energy: 0.6235545466580493
Energy: 0.6896205909068398
Energy: 0.6336263239559233
Energy: 0.6896205909068398
Energy: 0.6861877608743968
Energy: 0.6925478679513665
Energy: 0.6640839724643743
Energy: 0.6925478679513665
Energy: 0.6867713398615422
Energy: 0.6920741089165866
Energy: 0.6615541157825551
Energy: 0.6920741089154016
Energy: 0.7164689091173183
Energy: 0.7140303496645116
Energy: 0.6223228419782123
Energy: 0.7140303496656967
Energy: 0.6601433784485018
Energy: 0.6270526937451321
Energy: 0.7166680840033637
Energy: 0.6270526937451321
Energy: 0.6222490354041369
Energy: 0.6914337991642538
Energy: 0.7425878526930341
Energy: 0.6914337991642538
Energy: 0.7525127165805529
Energy: 0.6255741172986913
Energy: 0.7508167308322035
Energy: 0.6255741172998762
Energy: 0.6598496273842107
Energy: 0.6896738410696324
Energy: 0.6597992155253061
Energy: 0.6896738410696324
Energy: 0.6594020079258216
Energy: 0.6911245762495056
Energy: 0.6265352609540228
Energy: 0.6911245762483206
Energy: 0.6943414736287347
Energy: 0.6916326612903599
Energy: 0.6239024650161221
Energy: 0.691632661289175
Energy: 0.6609923332329981
Energy: 0.6933473901299689
Energy: 0.6247714966403372
Energy: 0.693347390131154
Energy: 0.625999014985714
Energy: 0.6274083978699466
Energy: 0.6282886642321932
Energy: 0.6274083978711317

minimum gb energy = 0.6222490354041369 eV
minimum distance =  2.61347765109639 Angstroms
sigma value = 17


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

Energy: 1.1314411949467333
Energy: 0.7400655115178788
Energy: 0.8487277931758304
Energy: 0.8196299257222067
Energy: 0.6430469968546653
Energy: 0.7474262436766087
Energy: 0.6850063504610485
Energy: 0.7474262436772798
Energy: 0.691715496747511
Energy: 0.7247568266025189
Energy: 0.8155027772427617
Energy: 0.7247568266025189
Energy: 0.7059659868186507
Energy: 0.7751837035323292
Energy: 0.7007666745832858
Energy: 0.7751837035323292
Energy: 0.716127030385608
Energy: 0.7613802413361245
Energy: 0.6898167253649694
Energy: 0.7613802413361245
Energy: 0.6995875312916632
Energy: 0.7489911054825731
Energy: 0.7175594838464848
Energy: 0.7489911054825731
Energy: 0.7341399710365926
Energy: 0.726316359994534
Energy: 0.6911844252490351
Energy: 0.726316359994534
Energy: 0.8135756818870019
Energy: 0.6904651542652918
Energy: 0.6683186097305528
Energy: 0.6904651542659631
Energy: 0.8220536543411943
Energy: 0.820736250805066
Energy: 0.7531236439955542
Energy: 0.820736250805066
Energy: 0.81602197458553
Energy: 0.7955947877747744
Energy: 0.6844594873257132
Energy: 0.7955947877754456
Energy: 0.7181387835755434
Energy: 0.7380879441860455
Energy: 0.6718470207482263
Energy: 0.7380879441867165
Energy: 0.7318104855341983
Energy: 0.6899418664103524
Energy: 0.6692279349675448
Energy: 0.6899418664103524
Energy: 0.734677029729961
Energy: 0.7187361481398573
Energy: 0.6827453444137612
Energy: 0.7187361481405284
Energy: 0.7356851630972344
Energy: 0.7438378240995795
Energy: 0.660598205463231
Energy: 0.7438378240995795
Energy: 0.7961786563577185
Energy: 0.7466317796714783
Energy: 0.7231214577312867
Energy: 0.7466317796714783
Energy: 0.8027740325810401
Energy: 0.8143742723433651
Energy: 0.7401224154648436
Energy: 0.8143742723433651
Energy: 0.7460370914705194
Energy: 0.7260784427632047
Energy: 0.6714690862302686
Energy: 0.7260784427638757
Energy: 0.7459637696894991
Energy: 0.7265937384363267
Energy: 0.6938650189642662
Energy: 0.7265937384363267
Energy: 0.7030933120011974
Energy: 0.7545011868266174
Energy: 0.7178453593438541
Energy: 0.7545011868266174
Energy: 0.7158950983189104
Energy: 0.7609239143317073
Energy: 0.7181165113624366
Energy: 0.7609239143317073
Energy: 0.6910611020403221
Energy: 0.7213176233086244
Energy: 0.7246774866766471
Energy: 0.7213176233086244
Energy: 0.690334870917654
Energy: 0.7755501314796697
Energy: 0.7755659609852383
Energy: 0.7755501314789984
Energy: 0.7726885531004043
Energy: 0.7984112929547412
Energy: 0.7704966566851277
Energy: 0.79841129295407
Energy: 0.7488545126986821
Energy: 0.8206531409349974
Energy: 0.8067087076613457
Energy: 0.8206531409356684
Energy: 0.6691409813400174
Energy: 0.7108852461299784
Energy: 0.787606029586931
Energy: 0.7108852461299784
Energy: 0.6691158399804944
Energy: 0.7395831074747236
Energy: 0.7178071911720767
Energy: 0.7395831074747236
Energy: 0.6821758835144353
Energy: 0.7368398866423155
Energy: 0.7549848767137396
Energy: 0.7368398866416442
Energy: 0.6683462401814215
Energy: 0.7398911989145489
Energy: 0.7353609343075447
Energy: 0.7398911989145489
Energy: 0.6690661591151018
Energy: 0.7326750374071372
Energy: 0.7400699677735672
Energy: 0.732675037406466
Energy: 0.729447196924184
Energy: 0.7349124785602992
Energy: 0.818994302029826
Energy: 0.7349124785616414

minimum gb energy = 0.6430469968546653 eV
minimum distance =  2.52697698278462 Angstroms
sigma value = 53


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

Energy: 1.0142627360283298
Energy: 0.7428763625392162
Energy: 0.7766048121171838
Energy: 0.8450418215152873
Energy: 0.8536439055097155
Energy: 0.6458652610761686
Energy: 0.7341126900802356
Energy: 0.6458652610777138
Energy: 0.7916206593560203
Energy: 0.803734851884698
Energy: 0.8067721212006681
Energy: 0.803734851884698
Energy: 0.7510178013614512
Energy: 0.6468224906514718
Energy: 0.7334448220803433
Energy: 0.6468224906514718
Energy: 0.7442939050314886
Energy: 0.7442500715211091
Energy: 0.607976647415861
Energy: 0.7442500715211091
Energy: 0.7527997261625243
Energy: 0.6946417737589372
Energy: 0.626293827099012
Energy: 0.6946417737589372
Energy: 0.8532249056013284
Energy: 0.8028624163938007
Energy: 0.7489146525792072
Energy: 0.8028624163938007
Energy: 0.8527447817984035
Energy: 0.6473673102547505
Energy: 0.7467044349257096
Energy: 0.6473673102532054
Energy: 0.7931758049202733
Energy: 0.8079160251133534
Energy: 0.7418318941064875
Energy: 0.8079160251133534
Energy: 0.7307297632624193
Energy: 0.6475154813902019
Energy: 0.7352626308124256
Energy: 0.6475154813902019
Energy: 0.7449223267407055
Energy: 0.6957431828093021
Energy: 0.6263372824111667
Energy: 0.6957431828093021
Energy: 0.7513876198862094
Energy: 0.6935675754908054
Energy: 0.6051948830928969
Energy: 0.6935675754892603
Energy: 0.8527548330818185
Energy: 0.6475554034198854
Energy: 0.7456433109229357
Energy: 0.6475554034183403

minimum gb energy = 0.6051948830928969 eV
minimum distance =  2.58763251759024 Angstroms
sigma value = 9


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

Energy: 0.9884288206203656
Energy: 0.7461425796179919
Energy: 0.8573515505112382
Energy: 0.8444653330639754
Energy: 0.7427358141677728
Energy: 0.7516958689386563
Energy: 0.8644731553260756
Energy: 0.7516958689386563
Energy: 0.6803750050071911
Energy: 0.7917041996099652
Energy: 0.8453612261064242
Energy: 0.7917041996099652
Energy: 0.6782154191764832
Energy: 0.7193176982016692
Energy: 0.8626337944825394
Energy: 0.7193176982016692
Energy: 0.6743826315471638
Energy: 0.7917949023168587
Energy: 0.8778968670215898
Energy: 0.7917949023168587
Energy: 0.698163417234096
Energy: 0.791276552086881
Energy: 0.8784146796533839
Energy: 0.7912765520863091
Energy: 0.8870448586353672
Energy: 0.8041718314266136
Energy: 0.8706965343459335
Energy: 0.8041718314271855
Energy: 0.8751277581826946
Energy: 0.8205120858663452
Energy: 0.8053183269966553
Energy: 0.8205120858663452
Energy: 0.7072627863725645
Energy: 0.7728479292015334
Energy: 0.7430924137135528
Energy: 0.7728479292015334
Energy: 0.6859680290812076
Energy: 0.7421368678033207
Energy: 0.8028379754595193
Energy: 0.7421368678027488
Energy: 0.6979682341362987
Energy: 0.74947082687774
Energy: 0.8645095076828178
Energy: 0.74947082687774
Energy: 0.7119937064153148
Energy: 0.7478513967168027
Energy: 0.872757640794788
Energy: 0.7478513967168027
Energy: 0.8695482639981602
Energy: 0.784786724930188
Energy: 0.811356165271398
Energy: 0.784786724930188
Energy: 0.8666162065584377
Energy: 0.7723139395801337
Energy: 0.7029778057671153
Energy: 0.7723139395801337
Energy: 0.8002162572798759
Energy: 0.746942800967837
Energy: 0.7138372251510289
Energy: 0.746942800967837
Energy: 0.7996025905402613
Energy: 0.7802608562795029
Energy: 0.7285156994401606
Energy: 0.7802608562795029
Energy: 0.8079302099658662
Energy: 0.7511683308738591
Energy: 0.7026648609819837
Energy: 0.7511683308738591
Energy: 0.8472289704534606
Energy: 0.8026776917226796
Energy: 0.9887848031760165
Energy: 0.8026776917238232
Energy: 0.8537332894142381
Energy: 0.7366013974673138
Energy: 0.7454250001830441
Energy: 0.7366013974673138
Energy: 0.9070051886605033
Energy: 0.7889577207722381
Energy: 0.6876762721471359
Energy: 0.7889577207722381
Energy: 0.8636038978580773
Energy: 0.7264936564960488
Energy: 0.6717938356142319
Energy: 0.7264936564966208
Energy: 0.8773662592905843
Energy: 0.7236560709976916
Energy: 0.6730801852041474
Energy: 0.7236560709976916
Energy: 0.8803108167677884
Energy: 0.7914918513678592
Energy: 0.6966203325858471
Energy: 0.7914918513678592
Energy: 0.8715846117042352
Energy: 0.8083026308013601
Energy: 0.8715031939396992
Energy: 0.8083026308013601
Energy: 0.8063556699242416
Energy: 0.8439943456822447
Energy: 0.8681241281547244
Energy: 0.8439943456822447
Energy: 0.7425937843536966
Energy: 0.7766449895172872
Energy: 0.6970582366487637
Energy: 0.7766449895172872
Energy: 0.8036150296277956
Energy: 0.7455642280822464
Energy: 0.6860407854128137
Energy: 0.7455642280822464
Energy: 0.8739346487445925
Energy: 0.7487240437040917
Energy: 0.6974193207263509
Energy: 0.7487240437040917
Energy: 0.8655979669312462
Energy: 0.7483553318179638
Energy: 0.7311471974296654
Energy: 0.7483553318179638
Energy: 0.809230210985873
Energy: 0.7833460462100132
Energy: 0.8745377028418297
Energy: 0.7833460462094413
Energy: 0.7243034705161746
Energy: 0.7688971997697276
Energy: 0.8255086345923567
Energy: 0.7688971997697276
Energy: 0.7109669163709192
Energy: 0.7529610116625842
Energy: 0.8010920128506439
Energy: 0.7529610116625842
Energy: 0.7300966264603539
Energy: 0.7797401849477488
Energy: 0.7731824054545272
Energy: 0.7797401849477488
Energy: 0.6980937905702826
Energy: 0.7665604984904424
Energy: 0.7415618208247824
Energy: 0.7665604984910142
Energy: 0.8623150328965657
Energy: 0.8534371799758006
Energy: 0.8073216537183967
Energy: 0.8534371799763726

minimum gb energy = 0.6717938356142319 eV
minimum distance =  2.53529411228376 Angstroms
sigma value = 73


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

Energy: 1.0495228710814004
Energy: 0.8002929810249372
Energy: 0.7647513671436945
Energy: 0.8248637689373055
Energy: 0.7869155482913196
Energy: 0.7985468203616587
Energy: 0.8256057502151326
Energy: 0.7985468203616587
Energy: 0.6866660790526096
Energy: 0.7920471466511689
Energy: 0.8474797413985249
Energy: 0.7920471466511689
Energy: 0.6818283503286601
Energy: 0.7373567438802084
Energy: 0.8498501775195249
Energy: 0.737356743879301
Energy: 0.6933172831093203
Energy: 0.7859185197261028
Energy: 0.8448485226484742
Energy: 0.7859185197261028
Energy: 0.7012195736002794
Energy: 0.7693804590814523
Energy: 0.8448740853702474
Energy: 0.7693804590814523
Energy: 0.8389863325554161
Energy: 0.8420948851921239
Energy: 0.8639450946220554
Energy: 0.8420948851921239
Energy: 0.8387468729249701
Energy: 0.8150355745869576
Energy: 0.7948953185521164
Energy: 0.8150355745869576
Energy: 0.6986730298311009
Energy: 0.7674095916262226
Energy: 0.8146268054647458
Energy: 0.7674095916262226
Energy: 0.760302551805508
Energy: 0.7566853115589091
Energy: 0.8132833639089772
Energy: 0.7566853115598163
Energy: 0.7016553487411902
Energy: 0.7494194227196117
Energy: 0.8345126036231716
Energy: 0.749419422720519
Energy: 0.6909188723482406
Energy: 0.7898405806195651
Energy: 0.84918771106575
Energy: 0.7898405806186578
Energy: 0.7959671004706081
Energy: 0.7473339484968136
Energy: 0.6504860186612927
Energy: 0.7473339484968136
Energy: 0.7978462579634529
Energy: 0.7909866483940063
Energy: 0.719479820629096
Energy: 0.7909866483940063
Energy: 0.7855952377975337
Energy: 0.7361155881572935
Energy: 0.7041908395181514
Energy: 0.7361155881563861
Energy: 0.8436233168104103
Energy: 0.7944372113215918
Energy: 0.7124842389129693
Energy: 0.7944372113206845
Energy: 0.8454680337339002
Energy: 0.7888157217455098
Energy: 0.7580946983154349
Energy: 0.7888157217455098
Energy: 0.8191515936563049
Energy: 0.8063553011184859
Energy: 0.8483742904213972
Energy: 0.8063553011193932
Energy: 0.7614147432375261
Energy: 0.7865919064406784
Energy: 0.8363453333987022
Energy: 0.7865919064415858
Energy: 0.8329111700909644
Energy: 0.7626005141978272
Energy: 0.7521957008496266
Energy: 0.7626005141978272
Energy: 0.7552888667619518
Energy: 0.7714390972873085
Energy: 0.7509873038471234
Energy: 0.7714390972873085
Energy: 0.8509532949923965
Energy: 0.8195347136165919
Energy: 0.7607324612560316
Energy: 0.8195347136165919

minimum gb energy = 0.6504860186612927 eV
minimum distance =  2.49900608579629 Angstroms
sigma value = 7


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

Energy: 1.2138744559857093
Energy: 0.7878777324390742
Energy: 0.8102197089572573
Energy: 0.8115909556029076
Energy: 0.7497268231772878
Energy: 0.7363422316843815
Energy: 0.7560890658491218
Energy: 0.7363422316850231
Energy: 0.6969312269705823
Energy: 0.7764023664781683
Energy: 0.8088839585875055
Energy: 0.7764023664762435
Energy: 0.6970153419145688
Energy: 0.7246736712956797
Energy: 0.7593939267646286
Energy: 0.7246736712956797
Energy: 0.6775838783551626
Energy: 0.7322654910802802
Energy: 0.8189369300345692
Energy: 0.7322654910802802
Energy: 0.6851102968320297
Energy: 0.7322873153052142
Energy: 0.8185682403309743
Energy: 0.7322873153045726
Energy: 0.8221727909307726
Energy: 0.7839343433583444
Energy: 0.7128514651843815
Energy: 0.7839343433602692
Energy: 0.8227731685153765
Energy: 0.7832306563386849
Energy: 0.6764427164754527
Energy: 0.783230656339968
Energy: 0.8136962602787726
Energy: 0.7491360542230727
Energy: 0.7052276026570145
Energy: 0.7491360542237143
Energy: 0.9017325843829338
Energy: 0.7788181446460797
Energy: 0.6978924131169977
Energy: 0.7788181446467213
Energy: 0.7871786125798828
Energy: 0.8138145327303141
Energy: 0.8044871673507322
Energy: 0.8138145327290308
Energy: 0.8083652013228065
Energy: 0.8088608657280936
Energy: 0.8166196284317767
Energy: 0.8088608657268105
Energy: 0.7497208757662893
Energy: 0.770689758075524
Energy: 0.7028074191974386
Energy: 0.7706897580774196
Energy: 0.7791441974232329
Energy: 0.7717464781119956
Energy: 0.7057312580762084
Energy: 0.7717464781126372
Energy: 0.7484372996705799
Energy: 0.7683887600713641
Energy: 0.6764171547442832
Energy: 0.7683887600713641
Energy: 0.806176298505957
Energy: 0.8088212207148955
Energy: 0.8086716714500108
Energy: 0.8088212207161786
Energy: 0.8200007521856172
Energy: 0.8260395026274141
Energy: 0.822690143224277
Energy: 0.8260395026280557
Energy: 0.6981581937142729
Energy: 0.776883387280361
Energy: 0.8165429803353185
Energy: 0.7768833872810027
Energy: 0.7056400093700244
Energy: 0.7378851498576267
Energy: 0.7656972236668562
Energy: 0.7378851498589099
Energy: 0.6759446205482404
Energy: 0.7838442788688544
Energy: 0.806432578177828
Energy: 0.783844278869496
Energy: 0.7142644871356966
Energy: 0.7839361485054913
Energy: 0.819082031343726
Energy: 0.7839361485067744
Energy: 0.8221919705187994
Energy: 0.7328170075226481
Energy: 0.6852601417125245
Energy: 0.732817007521365
Energy: 0.8221979310079842
Energy: 0.7321591991500156
Energy: 0.6775377863327889
Energy: 0.7321591991500156
Energy: 0.812363120885614
Energy: 0.7249956707075552
Energy: 0.6987763259042375
Energy: 0.7249956707088383
Energy: 0.8903811760540921
Energy: 0.7778234663569469
Energy: 0.696791538707646
Energy: 0.7778234663575885
Energy: 0.8146229861025984
Energy: 0.7497115968711955
Energy: 0.6865838048753089
Energy: 0.749711596871837
Energy: 0.8093168286067544
Energy: 0.808107926710702
Energy: 1.0554549488371945
Energy: 0.808107926710702
Energy: 0.7472636620563307
Energy: 0.750153576400487
Energy: 0.7385376985849286
Energy: 0.7501535763985622
Energy: 0.8126135110596658
Energy: 0.7594400356754701
Energy: 0.6850013478686413
Energy: 0.7594400356754701
Energy: 0.7453557039704575
Energy: 0.7585093439131283
Energy: 0.6816366601340372
Energy: 0.7585093439144115
Energy: 0.8193006401942099
Energy: 0.7468370194990341
Energy: 0.7486008086582955
Energy: 0.7468370194983927

minimum gb energy = 0.6759446205482404 eV
minimum distance =  2.50857427501945 Angstroms
sigma value = 29


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

Energy: 0.7045033073765701
Energy: 0.697748184818805
Energy: 0.6759677212279773
Energy: 0.7150394036855673
Energy: 0.6416746236409139
Energy: 0.6988346868407703
Energy: 0.6518507260266643
Energy: 0.6988346868407703
Energy: 0.6774022603906721
Energy: 0.6889782758943538
Energy: 0.673698565330943
Energy: 0.6889782758943538
Energy: 0.643925820726924
Energy: 0.7093832459104262
Energy: 0.6514512811618429
Energy: 0.7093832459106248
Energy: 0.651201029992385
Energy: 0.6893733244622225
Energy: 0.6416504343370252
Energy: 0.6893733244622225
Energy: 0.650915617947925
Energy: 0.7111850894454714
Energy: 0.6418049077971535
Energy: 0.7111850894454714
Energy: 0.6742559874593351
Energy: 0.6937216864909689
Energy: 0.678667488595043
Energy: 0.6937216864833209
Energy: 0.6518440992752869
Energy: 0.6992325519635272
Energy: 0.6420888866886547
Energy: 0.6992325519635272
Energy: 0.6413081285239892
Energy: 0.6997297212148624
Energy: 0.6759299334845196
Energy: 0.6997297212141921

minimum gb energy = 0.6413081285239892 eV
minimum distance =  2.57427462685068 Angstroms
sigma value = 5


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

Energy: 0.9295585006560964
Energy: 0.8002421371789409
Energy: 0.7403688598213313
Energy: 0.8101650372060715
Energy: 0.7542017074672543
Energy: 0.7823600407221003
Energy: 0.7611193771686664
Energy: 0.7823600407221003
Energy: 0.7544552066600083
Energy: 0.7787442308573913
Energy: 0.7610323257973914
Energy: 0.7787442308573913
Energy: 0.7031491284096401
Energy: 0.7702201308101954
Energy: 0.776349940747816
Energy: 0.7702201308108015
Energy: 0.7690986124803
Energy: 0.7386032753465096
Energy: 0.7547019317000038
Energy: 0.7386032753465096
Energy: 0.6709169828036856
Energy: 0.6721337983444813
Energy: 0.7830422587945238
Energy: 0.6721337983444813
Energy: 0.68280200344919
Energy: 0.777038334722078
Energy: 0.777112524214274
Energy: 0.7770383347214719
Energy: 0.6751650241951299
Energy: 0.7395258462282577
Energy: 0.9218901492954252
Energy: 0.7395258462288637
Energy: 0.7579785045453923
Energy: 0.7842823117838261
Energy: 0.8064968750658478
Energy: 0.7842823117838261
Energy: 0.8208394324074962
Energy: 0.6725548724412593
Energy: 0.6529820705061886
Energy: 0.6725548724418655
Energy: 0.7550690674631615
Energy: 0.7127896916001505
Energy: 0.6467405504509759
Energy: 0.7127896916001505
Energy: 0.8072652876490377
Energy: 0.7693395018520368
Energy: 0.6434619553451185
Energy: 0.7693395018520368
Energy: 0.8666675565573896
Energy: 0.7684872659815749
Energy: 0.712667764082148
Energy: 0.768487265980969
Energy: 0.751581381725828
Energy: 0.7692518913913733
Energy: 0.7589529199934607
Energy: 0.7692518913913733
Energy: 0.6743117328956181
Energy: 0.7704483000232071
Energy: 0.755368696645555
Energy: 0.7704483000232071
Energy: 0.6692608718745254
Energy: 0.7103304218900278
Energy: 0.7762811526571529
Energy: 0.7103304218900278
Energy: 0.6735333230318793
Energy: 0.6737956640405119
Energy: 1.2079866856568513
Energy: 0.6737956640411181
Energy: 0.7560740448731263
Energy: 0.7544547002183377
Energy: 0.7567124122885593
Energy: 0.7544547002171256
Energy: 0.8207441354920725
Energy: 0.7989684818872002
Energy: 0.7538474297432769
Energy: 0.7989684818872002
Energy: 0.7564199100059267
Energy: 0.7894541316628046
Energy: 0.7159525409984903
Energy: 0.7894541316628046
Energy: 0.775037971458837
Energy: 0.7418855461367508
Energy: 0.7695552041083848
Energy: 0.7418855461367508
Energy: 0.7597147408952234
Energy: 0.6684309959381899
Energy: 0.6748361111481875
Energy: 0.6684309959387958
Energy: 0.7760057403925682
Energy: 0.6861600915577983
Energy: 0.6751083182588506
Energy: 0.6861600915584043
Energy: 0.8001631067642431
Energy: 0.7388442260994875
Energy: 0.6739659530348103
Energy: 0.7388442260994875
Energy: 0.8086329633902832
Energy: 0.7841037596573157
Energy: 0.7552831729940612
Energy: 0.7841037596567098
Energy: 0.6568992377632296
Energy: 0.8058614427065123
Energy: 0.8204777394968357
Energy: 0.8058614427065123
Energy: 0.6467214399248494
Energy: 0.7126126624126593
Energy: 0.7579562191385621
Energy: 0.7126126624126593
Energy: 0.648105373011598
Energy: 0.7689290201667601
Energy: 0.7613313466171588
Energy: 0.7689290201667601
Energy: 0.6523124027277202
Energy: 0.7355332105287417
Energy: 0.9201255943677834
Energy: 0.7355332105287417
Energy: 0.7568958057934857
Energy: 0.7708955267436229
Energy: 0.7520491576098741
Energy: 0.7708955267448351
Energy: 0.7626267436919383
Energy: 0.7358521680720436
Energy: 0.6734775101617191
Energy: 0.7358521680720436
Energy: 0.7760569426207741
Energy: 0.7132855574675705
Energy: 0.6735451033467921
Energy: 0.7132855574675705
Energy: 1.176310559395278
Energy: 0.6681312684286834
Energy: 0.6744748104951451
Energy: 0.6681312684286834

minimum gb energy = 0.6434619553451185 eV
minimum distance =  2.55206777869138 Angstroms
sigma value = 1


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

Energy: 1.0728513416016239
Energy: 0.6357088032938979
Energy: 0.7396285580241239
Energy: 0.7294237284703667
Energy: 0.7894556087966217
Energy: 0.7371080309896395
Energy: 0.7661485693229195
Energy: 0.7371080309888015
Energy: 0.7676076729389367
Energy: 0.7890684925626992
Energy: 0.8297798639141208
Energy: 0.7890684925626992
Energy: 0.7506111795374819
Energy: 0.7499912467831259
Energy: 0.8005755052934447
Energy: 0.7499912467822879
Energy: 0.7748622196238044
Energy: 0.7399173806268976
Energy: 0.7506370932157047
Energy: 0.7399173806277165
Energy: 0.6593729994947564
Energy: 0.7130289828760962
Energy: 0.7889479265814381
Energy: 0.7130289828760962
Energy: 0.6636658964492407
Energy: 0.7841285006534204
Energy: 0.8138205138954147
Energy: 0.7841285006534204
Energy: 0.6699328612330216
Energy: 0.7038731834449568
Energy: 0.8136370829897808
Energy: 0.7038731834449568
Energy: 0.762098518098143
Energy: 0.7777507640458553
Energy: 0.8134164964299205
Energy: 0.7777507640466933
Energy: 0.9026262514384641
Energy: 0.6750604395238945
Energy: 0.6814822358205169
Energy: 0.6750604395238945
Energy: 0.7666731752071466
Energy: 0.7928941691314838
Energy: 0.7081679364317581
Energy: 0.7928941691314838
Energy: 0.8172164907777988
Energy: 0.6636623384812634
Energy: 0.6734361109082059
Energy: 0.6636623384812634
Energy: 0.8162353265439986
Energy: 0.7448753299328443
Energy: 0.6914098639289954
Energy: 0.7448753299336823
Energy: 0.7735233511986319
Energy: 0.7461042586943808
Energy: 0.7773458038374582
Energy: 0.7461042586943808
Energy: 0.7385933519200251
Energy: 0.7452721718709224
Energy: 0.7773266010223899
Energy: 0.7452721718700844
Energy: 0.7419686282546272
Energy: 0.737783901247929
Energy: 0.8238952154733719
Energy: 0.737783901247929
Energy: 0.7335090842297066
Energy: 0.6716359494580589
Energy: 1.266663182921734
Energy: 0.6716359494580589
Energy: 0.6775240973593812
Energy: 0.6877125242278764
Energy: 0.7895333335701775
Energy: 0.6877125242287145
Energy: 0.6588972675830077
Energy: 0.7272853767780026
Energy: 0.8134158868453655
Energy: 0.7272853767788408
Energy: 0.6642963417894011
Energy: 0.7988883783439886
Energy: 1.0639360272961917
Energy: 0.7988883783431509
Energy: 0.791609445587816
Energy: 0.7820220435643019
Energy: 0.8151117521298336
Energy: 0.7820220435651399
Energy: 0.7927249598218553
Energy: 0.698762135535098
Energy: 0.6602702986204636
Energy: 0.6987621355359359
Energy: 0.8054940504451277
Energy: 0.6590493427108979
Energy: 0.656258267219624
Energy: 0.6590493427100599
Energy: 0.8113842399888735
Energy: 0.6546106599575877
Energy: 0.6560669085204389
Energy: 0.6546106599567496

minimum gb energy = 0.6357088032938979 eV
minimum distance =  2.50662823997458 Angstroms
sigma value = 17


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

Energy: 1.032281320520897
Energy: 0.6213167930040175
Energy: 0.7466278726614849
Energy: 0.7846461705365925
Energy: 0.8284032566151217
Energy: 0.7170451087738677
Energy: 0.7284014781210588
Energy: 0.7170451087738677
Energy: 0.7700883118772335
Energy: 0.8098564937161356
Energy: 0.7425932346616823
Energy: 0.8098564937150996
Energy: 0.8213490960504052
Energy: 0.7805574528965701
Energy: 0.7287705888762245
Energy: 0.780557452897088
Energy: 0.8293190967259654
Energy: 0.7828920948653504
Energy: 0.8089113780417281
Energy: 0.7828920948653504
Energy: 0.6291532500981903
Energy: 0.6848643167406534
Energy: 0.8215218297218927
Energy: 0.6848643167406534
Energy: 0.6275876746228284
Energy: 0.7020070412327489
Energy: 0.8283341955612177
Energy: 0.7020070412317131
Energy: 0.6306352085358073
Energy: 0.6241464955053928
Energy: 1.0239230969303847
Energy: 0.6241464955043569
Energy: 0.8156591980512371
Energy: 0.7715093368899607
Energy: 0.8389306865393187
Energy: 0.7715093368904787
Energy: 0.7516235227199305
Energy: 0.8162385742304996
Energy: 0.7438084919457401
Energy: 0.8162385742310176
Energy: 0.8088861876284789
Energy: 0.7555339970580378
Energy: 0.6603768284845479
Energy: 0.7555339970580378
Energy: 0.8351086873920006
Energy: 0.7182689290994205
Energy: 0.751247036449928
Energy: 0.7182689291004564
Energy: 0.9376615568755611
Energy: 0.6480744812960015
Energy: 0.661191064025604
Energy: 0.6480744812954835
Energy: 0.8373780313312349
Energy: 0.6419978060904025
Energy: 0.6473663542060568
Energy: 0.6419978060898845
Energy: 0.816674577675483
Energy: 0.6908823874022011
Energy: 0.6524846431997143
Energy: 0.690882387402719
Energy: 0.8461632951854385
Energy: 0.7788614933539398
Energy: 0.8626945389810017
Energy: 0.7788614933539398
Energy: 0.6607829351790359
Energy: 0.7154454515157123
Energy: 0.93318504033465
Energy: 0.7154454515157123
Energy: 0.6427259179187523
Energy: 0.7227175332657576
Energy: 0.8441840869640475
Energy: 0.7227175332657576
Energy: 0.6588342859615334
Energy: 0.6528791696483836
Energy: 0.8346724355695772
Energy: 0.6528791696473476
Energy: 0.7554651679693782
Energy: 0.655494905222435
Energy: 1.0329783562202302
Energy: 0.6554949052239888
Energy: 0.723355033891932
Energy: 0.7522877122893712
Energy: 0.8490937690879219
Energy: 0.7522877122893712
Energy: 0.7232700724462542
Energy: 0.7588091766202228
Energy: 0.7713765194140092
Energy: 0.7588091766207408
Energy: 0.827542131040606
Energy: 0.7675590844051197
Energy: 0.7788518801477693
Energy: 0.7675590844051197
Energy: 0.9202077777623966
Energy: 0.7706527160028062
Energy: 0.7510580279362848
Energy: 0.7706527160028062
Energy: 0.8492672467921683
Energy: 0.6824083402528334
Energy: 0.6307002228475694
Energy: 0.6824083402533041
Energy: 0.830371440002187
Energy: 0.6834860618059357
Energy: 0.6254147652101919
Energy: 0.6834860618059357
Energy: 1.0277182244857277
Energy: 0.6763200035473701
Energy: 0.6268241219409764
Energy: 0.6763200035468521
Energy: 0.8343518556735107
Energy: 0.7705972022422325
Energy: 0.8149746871841483
Energy: 0.7705972022422325
Energy: 0.7213169176490949
Energy: 0.7872319169822346
Energy: 0.7516930250417262
Energy: 0.7872319169822346
Energy: 0.6657421864104339
Energy: 0.7159623075145239
Energy: 0.8081039801174202
Energy: 0.7159623075093446
Energy: 0.7305788760924972
Energy: 0.718990258684631
Energy: 0.8384959789563621
Energy: 0.7189902586851489
Energy: 0.6610330865179161
Energy: 0.6546753263205647
Energy: 0.829333529419927
Energy: 0.6546753263231543
Energy: 0.6430817960351505
Energy: 0.6413751432003164
Energy: 0.8394714810981158
Energy: 0.6413751432003164
Energy: 0.6532405325086297
Energy: 0.6930134099205866
Energy: 0.828084292673276
Energy: 0.6930134099221404
Energy: 0.8660340662426271
Energy: 0.776694257506761
Energy: 0.8611689824519625
Energy: 0.776694257506761
Energy: 0.9428255991868723
Energy: 0.6594645731171812
Energy: 0.6586328288383978
Energy: 0.6594645731161453
Energy: 0.8456452410628331
Energy: 0.7157773198225642
Energy: 0.6400475928994361
Energy: 0.7157773198225642
Energy: 0.8391374092850592
Energy: 0.653877290266677
Energy: 0.6610311281657091
Energy: 0.653877290266677

minimum gb energy = 0.6213167930040175 eV
minimum distance =  2.52252320907899 Angstroms
sigma value = 89


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

Energy: 1.0961067591785398
Energy: 0.6186797651137455
Energy: 0.6094086099732108
Energy: 0.6092427500329802
Energy: 0.8460823756157652
Energy: 0.6785043368890016
Energy: 0.7515427786207074
Energy: 0.6785043368876463
Energy: 0.5820479074795077
Energy: 0.6786508269137005
Energy: 0.7373721078211306
Energy: 0.6786508269137005
Energy: 0.58425308018741
Energy: 0.6776223973236702
Energy: 0.7516349534673388
Energy: 0.677622397322315
Energy: 0.6553971179903701
Energy: 0.6747507081463057
Energy: 0.7339344778946159
Energy: 0.6747507081463057
Energy: 0.5862708661935457
Energy: 0.6811031699619131
Energy: 0.7349113324600498
Energy: 0.6811031699619131
Energy: 0.6082348591773166
Energy: 0.5858519590517932
Energy: 0.8520298342721223
Energy: 0.585851959050438
Energy: 0.6101838524811772
Energy: 0.5866553859110741
Energy: 0.8469188328297469
Energy: 0.5866553859124293
Energy: 0.7512264518048707
Energy: 0.6799770650000857
Energy: 0.8457432584196791
Energy: 0.6799770650000857
Energy: 0.7374768236484682
Energy: 0.826018218042262
Energy: 0.737623146243536
Energy: 0.826018218042262
Energy: 0.750827152773448
Energy: 0.6389432771711502
Energy: 0.5813655261409998
Energy: 0.6389432771725054
Energy: 0.7342659795559577
Energy: 0.6811034217335404
Energy: 0.7218661917502526
Energy: 0.6811034217335404
Energy: 0.8300122609768106
Energy: 0.674977325003756
Energy: 0.6363676697124142
Energy: 0.674977325003756
Energy: 0.8513065816716493
Energy: 0.5856483895951801
Energy: 0.5849451929553489
Energy: 0.5856483895951801
Energy: 0.8471395305147895
Energy: 0.6753536324017874
Energy: 0.5892609920321411
Energy: 0.6753536324017874

minimum gb energy = 0.5813655261409998 eV
minimum distance =  2.55176313976047 Angstroms
sigma value = 13


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

Energy: 0.9324245131515972
Energy: 0.7027661682617947
Energy: 0.719146797169034
Energy: 0.5913780961874557
Energy: 0.9374177936766426
Energy: 0.6332868504360338
Energy: 0.6660365569987818
Energy: 0.6332868504371698
Energy: 0.8295548244329465
Energy: 0.749722433853522
Energy: 0.6517739251358701
Energy: 0.749722433853522
Energy: 0.7272507940959984
Energy: 0.7752741363842889
Energy: 0.740791840111022
Energy: 0.7752741363842889
Energy: 0.862432805698648
Energy: 0.7468822422940273
Energy: 0.8141432407799434
Energy: 0.7468822422945953
Energy: 0.6529739804543209
Energy: 0.7541475622059487
Energy: 0.7864886540567189
Energy: 0.7541475622042447
Energy: 0.670024624000578
Energy: 0.6321337152912826
Energy: 0.9372390254176151
Energy: 0.6321337152901466
Energy: 0.7090241050679054
Energy: 0.6291836360280157
Energy: 1.0175490512812584
Energy: 0.6291836360285837
Energy: 0.5943010851184415
Energy: 0.6327159780853489
Energy: 0.9336832693578588
Energy: 0.6327159780870528
Energy: 0.5727480190129854
Energy: 0.6925699947234719
Energy: 0.9444080980347367
Energy: 0.6925699947223359
Energy: 0.5879957993381226
Energy: 0.6931877312383877
Energy: 0.9324692338715779
Energy: 0.6931877312378197
Energy: 0.7852997804467582
Energy: 0.7227363374745558
Energy: 0.9436581212003928
Energy: 0.7227363374739878
Energy: 0.8141185694307032
Energy: 0.7609634663717455
Energy: 0.7816858077475195
Energy: 0.7609634663689054
Energy: 0.7592021177821652
Energy: 0.7228070453226092
Energy: 0.7276375428460266
Energy: 0.7228070453231772
Energy: 0.9241308372610956
Energy: 0.7200783057086886
Energy: 0.7418197831694763
Energy: 0.7200783057075526
Energy: 0.8757445591659886
Energy: 0.7243125022445981
Energy: 0.5780036388199085
Energy: 0.7243125022445981
Energy: 0.9370059585049662
Energy: 0.5667602613166282
Energy: 0.5819687636524937
Energy: 0.5667602613183322
Energy: 0.932965971547613
Energy: 0.6293880004566151
Energy: 0.6035903238315011
Energy: 0.6293880004532071
Energy: 0.9308358026974515
Energy: 0.6336853047257057
Energy: 0.670394945172873
Energy: 0.6336853047240016
Energy: 0.8856729750109121
Energy: 0.7713300190972978
Energy: 0.6472472713820834
Energy: 0.7713300190950257
Energy: 0.725964954624953
Energy: 0.7653001290419502
Energy: 0.654374081677014
Energy: 0.7653001290430862
Energy: 0.8619664222055751
Energy: 0.7433566744348667
Energy: 0.7830348429084645
Energy: 0.7433566744354347
Energy: 0.6561506287198408
Energy: 0.7581291925659064
Energy: 0.81406486801994
Energy: 0.7581291925642023
Energy: 0.5675917542301508
Energy: 0.6316033939276998
Energy: 0.8787202574798901
Energy: 0.6316033939288359
Energy: 0.6867867496958707
Energy: 0.634862181872326
Energy: 0.9262774845286245
Energy: 0.634862181872326
Energy: 0.5776950779074467
Energy: 0.633077031380632
Energy: 0.8749336932273021
Energy: 0.633077031380064
Energy: 0.5659249152746074
Energy: 0.5651551635517305
Energy: 0.939530670824752
Energy: 0.5651551635534343
Energy: 0.6015842243528012
Energy: 0.7308504043403845
Energy: 0.9005631453870293
Energy: 0.7308504043409525
Energy: 0.7660569856239334
Energy: 0.7206118818167985
Energy: 0.9364111139535932
Energy: 0.7206118818167985
Energy: 0.6469574661431833
Energy: 0.7791108379566907
Energy: 0.7814388493694141
Energy: 0.7791108379544186
Energy: 0.7593944494166844
Energy: 0.8119885969265991
Energy: 0.7260301765529807
Energy: 0.811988596923785
Energy: 0.8762941801687069
Energy: 0.7239049985808858
Energy: 0.7851513802892799
Energy: 0.7239049985803178
Energy: 0.9231900353633197
Energy: 0.7195510320018393
Energy: 0.5956690666565434
Energy: 0.7195510319989994
Energy: 0.9371877033542438
Energy: 0.5657807893151364
Energy: 0.5661322662935139
Energy: 0.5657807893145684
Energy: 0.9311252367926932
Energy: 0.6476217778697232
Energy: 0.593147052124436
Energy: 0.6476217778725633

minimum gb energy = 0.5651551635517305 eV
minimum distance =  2.48817765550276 Angstroms
sigma value = 37


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

Energy: 0.9018161078306899
Energy: 0.6182154623557194
Energy: 0.5335166593018764
Energy: 0.56214289253673
Energy: 0.9708705341256284
Energy: 0.6329789198479987
Energy: 0.6643721510487559
Energy: 0.6329789198479987
Energy: 0.8117352276031934
Energy: 0.6849650143207888
Energy: 0.6753752096081923
Energy: 0.6849650143207888
Energy: 0.8892076066002006
Energy: 0.7693486997132769
Energy: 0.7510003682632115
Energy: 0.7693486997132769
Energy: 0.8353528014943102
Energy: 0.7120901101814888
Energy: 0.730499687488807
Energy: 0.7120901101814888
Energy: 0.6865057852135125
Energy: 0.7210843999057652
Energy: 0.8321129898378039
Energy: 0.7210843999057652
Energy: 0.5913645746133964
Energy: 0.6159979675662044
Energy: 0.9275155852084159
Energy: 0.6159979675662044
Energy: 0.7000341335342339
Energy: 0.571129100917263
Energy: 1.10476255579473
Energy: 0.5711291009162858
Energy: 0.5894273958836558
Energy: 0.526859210993952
Energy: 0.9152674279101431
Energy: 0.5268592109929748
Energy: 0.5800387562246915
Energy: 0.7005134807976423
Energy: 0.9700559345602137
Energy: 0.7005134807976423
Energy: 0.6378567550962323
Energy: 0.6367131835254526
Energy: 0.794168763862453
Energy: 0.6367131835254526
Energy: 0.697120710527691
Energy: 0.7005675404017342
Energy: 0.9719026710870445
Energy: 0.7005675404017342
Energy: 0.7310105446736753
Energy: 0.6802643366922762
Energy: 0.8708873114909897
Energy: 0.6802643366912988
Energy: 0.8185127761114339
Energy: 0.7173699279919922
Energy: 0.9066116036248162
Energy: 0.7173699279919922
Energy: 0.730499687488807
Energy: 0.7115717700140072
Energy: 0.8188446548063023
Energy: 0.7115717700140072
Energy: 0.8321129898378039
Energy: 0.7177408912461103
Energy: 0.6510193075036381
Energy: 0.7177408912461103
Energy: 0.9428067135055054
Energy: 0.622773399896353
Energy: 0.5911631821394283
Energy: 0.6227733998953758
Energy: 1.10476255579473
Energy: 0.622980888262007
Energy: 0.6285124351930595
Energy: 0.622980888262007
Energy: 0.9152674279091658
Energy: 0.5942080478512071
Energy: 0.532639237389997
Energy: 0.5942080478512071
Energy: 0.9414802494207418
Energy: 0.6330139204259742
Energy: 0.5477817686175972
Energy: 0.6330139204269514

minimum gb energy = 0.5268592109929748 eV
minimum distance =  2.50424444642878 Angstroms
sigma value = 25


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

Energy: 1.0492758528117145
Energy: 0.628549749157773
Energy: 0.47586829575301715
Energy: 0.5860918408512856
Energy: 1.0323545429507521
Energy: 0.5556017320854278
Energy: 0.5643678424114644
Energy: 0.5556017320854278
Energy: 0.9042590438851194
Energy: 0.601050222440109
Energy: 0.5799147722606997
Energy: 0.6010502224393458
Energy: 0.7456693792331001
Energy: 0.6641181340916432
Energy: 0.7818069946225714
Energy: 0.6641181340916432
Energy: 0.9109307906377495
Energy: 0.6668726788917207
Energy: 0.7824360917475224
Energy: 0.6668726788909577
Energy: 0.7815780459743863
Energy: 0.6577817261175989
Energy: 0.7656197904594487
Energy: 0.6577817261168357
Energy: 0.7513823209513332
Energy: 0.6600327779578571
Energy: 0.8354276916628295
Energy: 0.6600327779586201
Energy: 0.7344453516834808
Energy: 0.6568114062683409
Energy: 0.8947508935282081
Energy: 0.656811406269104
Energy: 0.5945010615115017
Energy: 0.6551441566717598
Energy: 0.9482461098877278
Energy: 0.6551441566717598
Energy: 0.5943767969324149
Energy: 0.5424441583889115
Energy: 0.9935183569710321
Energy: 0.5424441583889115
Energy: 0.5181764249770009
Energy: 0.5099567228958802
Energy: 0.8891503022927764
Energy: 0.5099567228958802
Energy: 0.5240275200993747
Energy: 0.5308948283504554
Energy: 0.9933106267282118
Energy: 0.5308948283512185
Energy: 0.5160699139077884
Energy: 0.628130371231976
Energy: 1.0266609874113002
Energy: 0.628130371231976
Energy: 0.601256350302114
Energy: 0.6262155540046686
Energy: 0.9680261377430153
Energy: 0.6262155540046686
Energy: 0.625790871644646
Energy: 0.5896178470916073
Energy: 0.9081097649320238
Energy: 0.5896178470908441
Energy: 0.6238195427118088
Energy: 0.5533502044621308
Energy: 0.9044993553002836
Energy: 0.5533502044621308
Energy: 0.775580946450598
Energy: 0.6541260361121675
Energy: 0.9055146876121564
Energy: 0.6541260361114043
Energy: 0.6212795356564105
Energy: 0.6536602059486121
Energy: 0.9043291485888227
Energy: 0.653660205949375
Energy: 0.7936591745859531
Energy: 0.6628888824494499
Energy: 0.758825923994402
Energy: 0.6628888824502129
Energy: 0.9566341813786611
Energy: 0.6596453416925726
Energy: 0.7370513940045613
Energy: 0.6596453416918096
Energy: 0.8931420909570681
Energy: 0.6939439901115315
Energy: 0.5653504763475455
Energy: 0.69394399011004
Energy: 0.955372593368041
Energy: 0.6476947796508535
Energy: 0.5183579963876391
Energy: 0.6476947796508535
Energy: 0.9810482895129448
Energy: 0.5559070355341579
Energy: 0.5671167020187885
Energy: 0.5559070355341579
Energy: 0.8912266619455285
Energy: 0.5563339484537443
Energy: 0.47515651233984674
Energy: 0.5563339484529811
Energy: 1.035064498151333
Energy: 0.47136357205746965
Energy: 0.4733747195223687
Energy: 0.47136357205746965
Energy: 0.9035622121826984
Energy: 0.5572449644650995
Energy: 0.4751672958873486
Energy: 0.5572449644658626

minimum gb energy = 0.47136357205746965 eV
minimum distance =  2.49808964843265 Angstroms
sigma value = 41


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

Energy: 1.0628458045825808
Energy: 0.5985841028136688
Energy: 0.6390126305477443
Energy: 0.4280380476058116
Energy: 1.0664997811326051
Energy: 0.49662498142126826
Energy: 0.5014098973754736
Energy: 0.49662498142126826
Energy: 0.9282861708540232
Energy: 0.5654438245312189
Energy: 0.5124814415074442
Energy: 0.5654438245312189
Energy: 0.824582511107648
Energy: 0.5993631284672152
Energy: 0.6800212190077564
Energy: 0.5993631284672152
Energy: 0.9242114789042
Energy: 0.5989013432005731
Energy: 0.6778276332771789
Energy: 0.5989013432005731
Energy: 0.7785520237057473
Energy: 0.6111374909114239
Energy: 0.6743360311306495
Energy: 0.6111374909107983
Energy: 0.8169250950985644
Energy: 0.632555658160936
Energy: 0.8485228537939208
Energy: 0.6325556581615616
Energy: 0.7790138701070562
Energy: 0.6380737839227252
Energy: 0.7079593653309103
Energy: 0.6380737839227252
Energy: 0.5966929167763073
Energy: 0.6264079963686545
Energy: 0.8521990062744371
Energy: 0.6264079963692802
Energy: 0.5847582278097468
Energy: 0.6010843296398529
Energy: 0.9970604637874358
Energy: 0.6010843296398529
Energy: 0.49944604343869253
Energy: 0.6225072039362437
Energy: 0.9433677919546457
Energy: 0.6225072039362437
Energy: 0.5095691819050374
Energy: 0.5640652619674867
Energy: 0.9967517562862129
Energy: 0.5640652619674867
Energy: 0.5013423418043224
Energy: 0.49540837345277805
Energy: 0.9954091708655486
Energy: 0.49540837345277805
Energy: 0.4244610788836425
Energy: 0.4964785088439574
Energy: 0.944270615218915
Energy: 0.4964785088439574
Energy: 0.425210141857712
Energy: 0.4960829131253806
Energy: 1.0642824940931748
Energy: 0.4960829131253806
Energy: 0.4290320172651952
Energy: 0.49616056289810584
Energy: 0.9195114527380038
Energy: 0.4961605628987315
Energy: 0.5038664094346396
Energy: 0.4965773466187519
Energy: 0.9208044560925043
Energy: 0.4965773466187519
Energy: 0.5071135104148886
Energy: 0.5887710621727327
Energy: 0.9939586208822775
Energy: 0.5887710621733299
Energy: 0.5074221860813757
Energy: 0.5804046003684704
Energy: 0.8375300737156064
Energy: 0.5804046003684704
Energy: 0.6724376198011086
Energy: 0.598925527955615
Energy: 0.7789211851686285
Energy: 0.598925527955615
Energy: 0.7075450469978939
Energy: 0.6264202732586609
Energy: 0.8502939162997147
Energy: 0.6264202732592865
Energy: 0.6747546580495173
Energy: 0.6351610147926746
Energy: 0.826588708714088
Energy: 0.6351610147933002
Energy: 0.8528917693603948
Energy: 0.6309887291616544
Energy: 0.7763001184705848
Energy: 0.6309887291616544
Energy: 0.7082312947833072
Energy: 0.636252412855502
Energy: 0.6739640627007238
Energy: 0.6362524128548763
Energy: 0.8489937474079607
Energy: 0.6291307512561878
Energy: 0.5899000168013736
Energy: 0.6291307512561878
Energy: 0.8554834761999005
Energy: 0.5998496092096549
Energy: 0.6735373756142521
Energy: 0.5998496092096549
Energy: 0.8939529909630333
Energy: 0.599595914710986
Energy: 0.504061331563759
Energy: 0.599595914710986
Energy: 0.992415942163477
Energy: 0.4957812938173191
Energy: 0.5085273660804438
Energy: 0.49578129381794467
Energy: 0.8814043368965573
Energy: 0.496391645608986
Energy: 0.5579249539212398
Energy: 0.49639164560836035
Energy: 0.8528435381719581
Energy: 0.49604780944359267
Energy: 0.4300647365447783
Energy: 0.49604780944359267
Energy: 0.9934318880853854
Energy: 0.4239113729986919
Energy: 0.4247014224039789
Energy: 0.4239113729993175
Energy: 1.0654616841126416
Energy: 0.49626797686336704
Energy: 0.42460898130732433
Energy: 0.49626797686336704

minimum gb energy = 0.4239113729986919 eV
minimum distance =  2.49104174072625 Angstroms
sigma value = 15


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

Energy: 0.9226862577716959
Energy: 0.5425537405609763
Energy: 0.6183205704249275
Energy: 0.6763001815371793
Energy: 1.0288306730618717
Energy: 0.4532447356726
Energy: 0.455765545593689
Energy: 0.4532447356726
Energy: 0.9691062095777567
Energy: 0.5117208995409895
Energy: 0.4673875277530703
Energy: 0.5117208995404596
Energy: 0.9230387498089666
Energy: 0.5478558732034569
Energy: 0.6180270530492682
Energy: 0.5478558732034569
Energy: 0.9628985636969614
Energy: 0.5514379135441959
Energy: 0.631065968893261
Energy: 0.5514379135441959
Energy: 0.8388756471884352
Energy: 0.5586196391929605
Energy: 0.6211822058535215
Energy: 0.5586196391940205
Energy: 0.7285547398493109
Energy: 0.5900834091253131
Energy: 0.7672100412634498
Energy: 0.5900834091253131
Energy: 0.8373687403253665
Energy: 0.5894813806216171
Energy: 0.6276860485534906
Energy: 0.5894813806210872
Energy: 0.700973108787359
Energy: 0.5963126969378699
Energy: 0.7666603448408718
Energy: 0.59631269693734
Energy: 0.6998200875730672
Energy: 0.5862544168136641
Energy: 0.9002143318099354
Energy: 0.5862544168147241
Energy: 0.614075908514537
Energy: 0.5677837982463576
Energy: 0.8231411600261284
Energy: 0.5677837982463576
Energy: 0.5321346737740547
Energy: 0.5744098941942873
Energy: 0.8997218877500792
Energy: 0.5744098941942873
Energy: 0.6067175513403303
Energy: 0.5488181832678802
Energy: 0.9029961291579076
Energy: 0.5488181832678802
Energy: 0.4645375026140803
Energy: 0.5479715382810839
Energy: 0.8246874954120541
Energy: 0.547971538280554
Energy: 0.4616772538772132
Energy: 0.47567032651953606
Energy: 1.0204304308589671
Energy: 0.47567032651953606
Energy: 0.4562700335594427
Energy: 0.4548372794868699
Energy: 0.9051272853549499
Energy: 0.4548372794879299
Energy: 0.4024274560824366
Energy: 0.4538101547362009
Energy: 0.9102975499440381
Energy: 0.45381015473673086
Energy: 0.3904940050803942
Energy: 0.4527287302371532
Energy: 1.0232183011482445
Energy: 0.4527287302371532
Energy: 0.4004662551183816
Energy: 0.4539852425917848
Energy: 0.8423446092350102
Energy: 0.4539852425917848
Energy: 0.4574658558612599
Energy: 0.4542212471368015
Energy: 0.9725422645102092
Energy: 0.4542212471368015
Energy: 0.45939059093230594
Energy: 0.5336966567238647
Energy: 0.9628169666636494
Energy: 0.5336966567238647
Energy: 0.4660914654713566
Energy: 0.5478755758285263
Energy: 0.9242987307125585
Energy: 0.5478755758290563
Energy: 0.606338372994837
Energy: 0.5484208427473883
Energy: 0.8372154991422218
Energy: 0.5484208427468584
Energy: 0.6289741605459856
Energy: 0.5487746513177953
Energy: 0.900080030211519
Energy: 0.5487746513177953
Energy: 0.613026446841058
Energy: 0.5942743028535373
Energy: 0.7244775909187778
Energy: 0.5942743028530072
Energy: 0.7745662309401236
Energy: 0.5859642185268583
Energy: 0.9022986911194271
Energy: 0.5859642185268583
Energy: 0.6320040960366334
Energy: 0.5963576836172666
Energy: 0.7671344021778843
Energy: 0.5963576836172666
Energy: 0.7711814833180803
Energy: 0.5901388614238806
Energy: 0.7247043169337746
Energy: 0.5901388614228207
Energy: 0.778483814905368
Energy: 0.5880051753645543
Energy: 0.7679239897650421
Energy: 0.5880051753634943
Energy: 0.7744120042649862
Energy: 0.5744946511606086
Energy: 0.6225515851941484
Energy: 0.5744946511611386
Energy: 0.9879158861114018
Energy: 0.5760852859147897
Energy: 0.5319023517305947
Energy: 0.5760852859142598
Energy: 0.8253898272667585
Energy: 0.5478467630341177
Energy: 0.613736054198436
Energy: 0.5478467630341177
Energy: 0.9036435075301508
Energy: 0.5135889124636575
Energy: 0.4661671956450212
Energy: 0.5135889124641876
Energy: 1.0250650078042254
Energy: 0.4535617129068181
Energy: 0.4547382068851237
Energy: 0.4535617129073481
Energy: 1.0249370262219064
Energy: 0.45496759776707424
Energy: 0.4523305757047305
Energy: 0.45496759776548434
Energy: 1.024075767256951
Energy: 0.45408238461917916
Energy: 0.396816280366679
Energy: 0.45408238461917916
Energy: 0.9664811207752769
Energy: 0.4540106300771705
Energy: 0.39722511089570994
Energy: 0.45401063007823045

minimum gb energy = 0.3904940050803942 eV
minimum distance =  2.49278975751047 Angstroms
sigma value = 85


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

Energy: 1.0286452056703497
Energy: 0.48126205996196936
Energy: 0.49855617405471464
Energy: 0.3532012036474233
Energy: 1.0311813912030214
Energy: 0.40870529357639346
Energy: 0.4100215202487627
Energy: 0.40870529357685303
Energy: 0.8971696642521692
Energy: 0.4479355749771146
Energy: 0.4136736784283664
Energy: 0.447935574976655
Energy: 0.8533857911493126
Energy: 0.49419730671559814
Energy: 0.5427971796681202
Energy: 0.4941973067165174
Energy: 0.9821129947111265
Energy: 0.5006432441822402
Energy: 0.5609675231342927
Energy: 0.5006432441831593
Energy: 0.7858717401385146
Energy: 0.514797160307741
Energy: 0.5553572304636147
Energy: 0.5147971603072815
Energy: 0.7763181241022976
Energy: 0.5317572059242965
Energy: 0.6899978452236811
Energy: 0.5317572059261353
Energy: 0.8707596357728106
Energy: 0.5314465094700386
Energy: 0.5987742048206355
Energy: 0.5314465094709578
Energy: 0.7832173111563532
Energy: 0.5439075113968583
Energy: 0.6869161281863956
Energy: 0.5439075113977776
Energy: 0.7836026011549757
Energy: 0.5412263010010638
Energy: 0.8088786980012985
Energy: 0.5412263010015235
Energy: 0.6881061517957573
Energy: 0.5394953904805436
Energy: 0.767097479081174
Energy: 0.5394953904800839
Energy: 0.6859868219058969
Energy: 0.5315232870360073
Energy: 0.8085348600319537
Energy: 0.5315232870369265
Energy: 0.6888464793843386
Energy: 0.5299240172120789
Energy: 0.8489701321800404
Energy: 0.5299240172125387
Energy: 0.537573720757182
Energy: 0.5303309055772927
Energy: 0.7680610002786594
Energy: 0.5303309055772927
Energy: 0.514630574600348
Energy: 0.5122589548482764
Energy: 0.9229444642619962
Energy: 0.5122589548478169
Energy: 0.5380125009814155
Energy: 0.4856541932754124
Energy: 0.8363026799584734
Energy: 0.4856541932749528
Energy: 0.42715429801476273
Energy: 0.4805275890776066
Energy: 0.836029603968932
Energy: 0.4805275890776066
Energy: 0.42431814732177137
Energy: 0.40001002472655306
Energy: 1.034101530530819
Energy: 0.4000100247256338
Energy: 0.42168977897166243
Energy: 0.402623462347921
Energy: 0.9492410630675135
Energy: 0.402623462347921
Energy: 0.38249703290304415
Energy: 0.35375690539907184
Energy: 0.9500113935436805
Energy: 0.35375690539907184
Energy: 0.38239013731888477
Energy: 0.38870614806425874
Energy: 1.0619777922975828
Energy: 0.38870614806379905
Energy: 0.37852196726046233
Energy: 0.4612852219526843
Energy: 0.9870860037315632
Energy: 0.4612852219536036
Energy: 0.43577981653979364
Energy: 0.4596545824113854
Energy: 0.976728605455043
Energy: 0.45965458241184504
Energy: 0.44518162349088053
Energy: 0.46214004979038237
Energy: 1.0075569875557182
Energy: 0.46214004979038237
Energy: 0.4403108487385361
Energy: 0.4833758113473242
Energy: 0.8522177867243181
Energy: 0.48337581134778385
Energy: 0.5616852348691111
Energy: 0.4839518728577788
Energy: 1.0059494534168152
Energy: 0.4839518728582384
Energy: 0.5873821216053566
Energy: 0.5125315954896569
Energy: 0.909262660239747
Energy: 0.5125315954896569
Energy: 0.6796085362725856
Energy: 0.5244216880913739
Energy: 0.8534481127121601
Energy: 0.5244216880918335
Energy: 0.6955113188864341
Energy: 0.5242513710402638
Energy: 0.8967295585784409
Energy: 0.5242513710402638
Energy: 0.6939107273202165
Energy: 0.5411814711555871
Energy: 0.7887100196573128
Energy: 0.5411814711555871
Energy: 0.8100890494619937
Energy: 0.5388887223542138
Energy: 0.684921225964916
Energy: 0.5388887223532945
Energy: 0.7697571462303121
Energy: 0.5389798776436826
Energy: 0.8196700878652291
Energy: 0.5389798776436826
Energy: 0.8180829371139517
Energy: 0.542035294922312
Energy: 0.658234927437921
Energy: 0.5420352949227715
Energy: 0.9277229422696774
Energy: 0.5304321343927524
Energy: 0.659178015082076
Energy: 0.5304321343918331
Energy: 0.7663168327514672
Energy: 0.5307510904512224
Energy: 0.7326171326817589
Energy: 0.5307510904516821
Energy: 0.9294313131475573
Energy: 0.510561178652991
Energy: 0.5667874708646388
Energy: 0.510561178652991
Energy: 0.9498426398213101
Energy: 0.4922522957582217
Energy: 0.5426124018026723
Energy: 0.4922522957573024
Energy: 0.9408737574733355
Energy: 0.4939228824293108
Energy: 0.40756553024658837
Energy: 0.4939228824297705
Energy: 1.038500012617028
Energy: 0.42622693515862176
Energy: 0.4148534056898421
Energy: 0.42622693515862176
Energy: 0.9482581228116879
Energy: 0.4098580648567053
Energy: 0.4078437617285424
Energy: 0.4098580648567053
Energy: 0.9433477913312677
Energy: 0.4115323781977087
Energy: 0.35333940381638623
Energy: 0.4115323781977087
Energy: 1.0618590551153706
Energy: 0.3814751059968293
Energy: 0.35380792254456345
Energy: 0.38147510599636963
Energy: 0.8931993590558587
Energy: 0.41070338355774916
Energy: 0.35334891116072764
Energy: 0.41070338355820885

minimum gb energy = 0.3532012036474233 eV
minimum distance =  2.48915511663439 Angstroms
sigma value = 113


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

Energy: 0.01168235704015502
Energy: 0.012640686463125305
Energy: 0.8343586842784173
Energy: 0.37128574170529227
Energy: 0.012520489699852371
Energy: 0.07835720504249506
Energy: 0.5381267449190571
Energy: 0.07835720504282877
Energy: 0.012242260278714525
Energy: 0.07656995326354961
Energy: 0.538199174374219
Energy: 0.07656995326390297
Energy: 0.013474045991435554
Energy: 0.07821587616049633
Energy: 0.5391575680370427
Energy: 0.07821587616083006
Energy: 0.539147480952924
Energy: 0.07791191975526034
Energy: 0.6714507780389756
Energy: 0.07791191975492662
Energy: 0.012454746892841597
Energy: 0.07647347934494421
Energy: 0.5383876800944251
Energy: 0.07647347934459085

minimum gb energy = 0.01168235704015502 eV
minimum distance =  2.8277503582536 Angstroms
sigma value = 1