Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.089642524719239
cohesive_energy=2.8502238341252197
mass=107.8682
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=[8.78438200536252e-20, 1.387832637373578e-19, 1.7995007082434398e-19, 2.14669238483124e-19, 2.45753067359358e-19, 2.74198111319394e-19, 2.99905035411924e-19, 3.22771300332372e-19, 3.4296673680394193e-19, 3.6076211267778e-19, 3.7642338927513e-19, 3.90176473501386e-19, 4.0221362655262796e-19, 4.1270307697542594e-19, 4.21790622843474e-19, 4.29609244817394e-19, 4.362759017914679e-19, 4.41886724363736e-19, 4.46520219189264e-19, 4.502340646268759e-19, 4.53068315092422e-19, 4.550598206484839e-19, 4.562342161212059e-19, 4.5662034069e-19, 4.562037747651599e-19, 4.54859548569234e-19, 4.52443466205162e-19, 4.4877768606657e-19, 4.435113314706119e-19, 4.36309547500782e-19, 4.26794220471456e-19, 4.1452955833818596e-19, 3.9899004716502e-19, 3.7954603153479592e-19, 3.5541725142675597e-19, 3.2562157256425796e-19, 2.88893275406442e-19, 2.43559687547412e-19, 1.8738256822947e-19, 1.1735767604620258e-19, 2.94713983117764e-20, -8.16592580287218e-20, -2.23381875018816e-19, -4.06070065710666e-19, -6.449241604840199e-19, -9.62582915177298e-19, -1.392597510683094e-18, -1.98612224257176e-18, -2.82643184357208e-18, -4.05696758554944e-18, -5.944331660401439e-18, -9.0200942317566e-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: 0.008589570132201185
Energy: 0.009433225454681426
Energy: 0.42212966709185995
Energy: 0.06590379533557868
Energy: 0.009433225455157887
Energy: 0.43866653522959065
Energy: 0.06590379533557868
Energy: 0.4386665352315101
Energy: 0.4221296670851486
Energy: 0.06590379533557868
Energy: 0.008589570132201185
Energy: 0.009433225454681426
Energy: 0.06590379533557868
Energy: 0.4386665352310336
Energy: 0.009433225454681426
Energy: 0.4386665352367784

minimum gb energy = 0.008589570132201185 eV
minimum distance =  2.823142201036 Angstroms
sigma value = 1


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

Energy: 0.8205442097707246
Energy: 0.5370482037419708
Energy: 0.5809738191318726
Energy: 0.5797872137838123
Energy: 0.555187983341129
Energy: 0.5871563296955358
Energy: 0.5448153417485033
Energy: 0.5871563296961301
Energy: 0.5805108083190682
Energy: 0.580115960831427
Energy: 0.8911086305332377
Energy: 0.580115960831427
Energy: 0.5471196485916779
Energy: 0.5453026061270939
Energy: 0.5447790999415923
Energy: 0.5453026061276883
Energy: 0.7633093054689699
Energy: 0.5461984341947381
Energy: 0.5471740997404093
Energy: 0.5461984341958998
Energy: 0.5718582367941974
Energy: 0.6018825499442712
Energy: 0.5460488236015102
Energy: 0.6018825499442712
Energy: 0.5726621831559842
Energy: 0.581144849576229
Energy: 0.5712391779457581
Energy: 0.5811448495768233
Energy: 0.5738011479167634
Energy: 0.588817342270531
Energy: 0.5961731990724738
Energy: 0.5888173422699365
Energy: 0.5825894899775612
Energy: 0.596794518761758
Energy: 0.5833440404428027
Energy: 0.5967945187623523
Energy: 0.5943240232006537
Energy: 0.5974757462081904
Energy: 0.5836160890633206
Energy: 0.5974757462064073
Energy: 0.5815328311062611
Energy: 0.596564036772049
Energy: 0.5827873084134882
Energy: 0.596564036772049
Energy: 0.5726272808698141
Energy: 0.5955768809349563
Energy: 0.598755442483545
Energy: 0.5955768809331733
Energy: 0.5846842271681801
Energy: 0.5809906933076651
Energy: 0.5558764775126913
Energy: 0.580990693305882
Energy: 0.5729872236812436
Energy: 0.5820923630855335
Energy: 0.5754502740298638
Energy: 0.5820923630843448
Energy: 0.5562227721456133
Energy: 0.5454747993176364
Energy: 0.5455138132228655
Energy: 0.5454747993164478
Energy: 0.5590317085783233
Energy: 0.5463740170288994
Energy: 0.54583563126308
Energy: 0.546374017028305
Energy: 0.580678056734301
Energy: 0.5797761230028753
Energy: 0.5344229238300934
Energy: 0.5797761230016867
Energy: 0.5447996855694928
Energy: 0.545692936424271
Energy: 0.5553059431053138
Energy: 0.5456929364230823
Energy: 0.5462735748881207
Energy: 0.5802214791261974
Energy: 0.5807471367980008
Energy: 0.5802214791279805
Energy: 0.5714778229617633
Energy: 0.5459185470334207
Energy: 0.5468781153774632
Energy: 0.545918547034015
Energy: 0.5465648319433409
Energy: 0.5467635805970734
Energy: 0.5714420394815566
Energy: 0.5467635805976677
Energy: 0.5459774355171055
Energy: 0.5462493396020836
Energy: 0.5717759211040276
Energy: 0.5462493396026779
Energy: 0.5712130114378001
Energy: 0.5817446843725272
Energy: 0.5716575322750772
Energy: 0.5817446843713386
Energy: 0.5896285210729559
Energy: 0.5817236410493454
Energy: 0.5722673794048543
Energy: 0.5817236410475893
Energy: 0.5840407596371187
Energy: 0.5970721925614298
Energy: 0.6588150232661099
Energy: 0.5970721925614298
Energy: 0.584860993638635
Energy: 0.5951321358017532
Energy: 0.5951514602916893
Energy: 0.5951321358029419
Energy: 0.6597512584966023
Energy: 0.5963346919071003
Energy: 0.5819435301621362
Energy: 0.5963346919076946
Energy: 0.597001822177336
Energy: 0.5958293788470856
Energy: 0.5727023738660308
Energy: 0.5958293788464913
Energy: 0.5555684975555157
Energy: 0.5808285903105336
Energy: 0.5849975357074759
Energy: 0.580828590311128
Energy: 0.5754723342282008
Energy: 0.581775989552698
Energy: 0.5720085721372665
Energy: 0.5817759895532923
Energy: 0.5452961825217318
Energy: 0.5454527104876487
Energy: 0.556351534810232
Energy: 0.5454527104888375
Energy: 0.5459715321761988
Energy: 0.5458552775389467
Energy: 0.5590541588915353
Energy: 0.5458552775377581
Energy: 0.5343847762516749
Energy: 0.5469861056998571
Energy: 0.5816890213657683
Energy: 0.5469861056992897

minimum gb energy = 0.5343847762516749 eV
minimum distance =  2.58451781836983 Angstroms
sigma value = 1


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

Energy: 0.9346525906056686
Energy: 0.5617881136230499
Energy: 0.6096335719497014
Energy: 0.610284802569908
Energy: 0.5866053384999322
Energy: 0.6151949606980079
Energy: 0.573141319983575
Energy: 0.6151949606946197
Energy: 0.6100046201632335
Energy: 0.6107920917686437
Energy: 0.8587067698810323
Energy: 0.6107920917727097
Energy: 0.5746861574118544
Energy: 0.5728417619416679
Energy: 0.572724935630529
Energy: 0.5728417619443786
Energy: 0.5733976606041388
Energy: 0.573057683887958
Energy: 0.5730610972515513
Energy: 0.573057683885925
Energy: 0.6111377488231754
Energy: 0.6499360151350746
Energy: 0.5723737083217102
Energy: 0.6499360151357523
Energy: 0.6059324914261267
Energy: 0.6165234244660256
Energy: 0.6030999752370044
Energy: 0.616523424467381
Energy: 0.6044263023291112
Energy: 0.6178169261663395
Energy: 0.6294995192224673
Energy: 0.6178169261690502
Energy: 0.6041347260289535
Energy: 0.6312390033848447
Energy: 0.6124399214283016
Energy: 0.6312390033862
Energy: 0.6287406695140891
Energy: 0.6348251928248739
Energy: 0.606380624828846
Energy: 0.6348251928255516
Energy: 0.587352288120689
Energy: 0.6157921817791066
Energy: 0.6066098199698979
Energy: 0.6157921817770735
Energy: 0.5867752549125823
Energy: 0.6171227409170571
Energy: 0.6045633165898191
Energy: 0.6171227409224783
Energy: 0.5733494728008668
Energy: 0.5732821276168728
Energy: 0.5874524075238644
Energy: 0.573282127622294
Energy: 0.5723253138130319
Energy: 0.5728036735985058
Energy: 0.5586429034783891
Energy: 0.5728036735998611
Energy: 0.5578758140067009
Energy: 0.6104039527785107
Energy: 0.6095204307336649
Energy: 0.6104039527764775
Energy: 0.587191835843683
Energy: 0.5729885871647348
Energy: 0.5727205498752856
Energy: 0.5729885871647348
Energy: 0.6107164741003975
Energy: 0.6103195151875026
Energy: 0.573776441031964
Energy: 0.610319515188858
Energy: 0.5746330824041562
Energy: 0.5727185283630094
Energy: 0.603369555385083
Energy: 0.5727185283643648
Energy: 0.5736802730507022
Energy: 0.5752413031741191
Energy: 0.5746937014970404
Energy: 0.5752413031734412
Energy: 0.6125256334073181
Energy: 0.5729824797605447
Energy: 0.5723400526985013
Energy: 0.5729824797591894
Energy: 0.6043410509985955
Energy: 0.6172032831147946
Energy: 0.6028582364822369
Energy: 0.6172032831114063
Energy: 0.6031988835009606
Energy: 0.6172108225200507
Energy: 0.6293379194849822
Energy: 0.6172108225166624
Energy: 0.6041653170884443
Energy: 0.6313534800693186
Energy: 0.6124088109456546
Energy: 0.6313534800727069
Energy: 0.6286816950166942
Energy: 0.6318091673973356
Energy: 0.6048426133928196
Energy: 0.6318091673973356
Energy: 0.5869118579016361
Energy: 0.6159593484530969
Energy: 0.6255698905167969
Energy: 0.6159593484510638
Energy: 0.5876502252465713
Energy: 0.6165539794745639
Energy: 0.6040225977125878
Energy: 0.6165539794711755
Energy: 0.5728462134396812
Energy: 0.5733452983131064
Energy: 0.5869223180941638
Energy: 0.5733452983103958
Energy: 0.5723778438526059
Energy: 0.5727331814007086
Energy: 0.5584625640993676
Energy: 0.5727331813993533
Energy: 0.5578003683408564
Energy: 0.5744668520586343
Energy: 0.6133234418312447
Energy: 0.5744668520613451

minimum gb energy = 0.5578003683408564 eV
minimum distance =  2.58512460200774 Angstroms
sigma value = 25


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

Energy: 0.894177581181453
Energy: 0.5859924666680615
Energy: 0.643033450160402
Energy: 0.6430545857389238
Energy: 0.6241249669985819
Energy: 0.6444541201134317
Energy: 0.6040726907205916
Energy: 0.6444541201134317
Energy: 0.6427357240586817
Energy: 0.6430830564898853
Energy: 0.6024911581218462
Energy: 0.6430830564890975
Energy: 0.6056918585017288
Energy: 0.6038552302640818
Energy: 0.6037816600958767
Energy: 0.6038552302640818
Energy: 0.60385400302592
Energy: 0.6040534833058231
Energy: 0.6042144481254278
Energy: 0.6040534833050354
Energy: 0.6361813922902508
Energy: 0.6769698749016699
Energy: 0.603823177990981
Energy: 0.6769698749008821
Energy: 0.6338538717322814
Energy: 0.6597587185504671
Energy: 0.6324901662857485
Energy: 0.6597587185496793
Energy: 0.6329577226475436
Energy: 0.660668033205856
Energy: 0.6673080905715488
Energy: 0.660668033205856
Energy: 0.6339232027666004
Energy: 0.6594458115659869
Energy: 0.6247444866691538
Energy: 0.6594458115651991
Energy: 0.634540828557957
Energy: 0.659689834070953
Energy: 0.6038871114901364
Energy: 0.6596898340717408
Energy: 0.5822593528807026
Energy: 0.6037339238047215
Energy: 0.603041471458167
Energy: 0.6037339238039336
Energy: 0.5823580499244665
Energy: 0.6038448771736052
Energy: 0.6040140318866427
Energy: 0.603844877174393
Energy: 0.6423127254548643
Energy: 0.6435625242904184
Energy: 0.5821373833896806
Energy: 0.6435625242927818
Energy: 0.603774530688871
Energy: 0.6037465356880959
Energy: 0.6248934719738055
Energy: 0.6037465356880959
Energy: 0.603896221586005
Energy: 0.6434386270514814
Energy: 0.6445649688334142
Energy: 0.6434386270514814
Energy: 0.6042945445188435
Energy: 0.6039675716019995
Energy: 0.6054475901040907
Energy: 0.6039675716012118
Energy: 0.6036711923144934
Energy: 0.6068563385014617
Energy: 0.6043596148477562
Energy: 0.6068563385014617
Energy: 0.6038219771702524
Energy: 0.6041162725757863
Energy: 0.6360063251047996
Energy: 0.604116272576574
Energy: 0.6326388145704964
Energy: 0.6608703438286057
Energy: 0.6366111102820375
Energy: 0.6608703438286057
Energy: 0.6032083059149861
Energy: 0.6605947059365244
Energy: 0.6342425163726846
Energy: 0.6605947059357365
Energy: 0.6242519586776222
Energy: 0.6595345240086529
Energy: 0.6337116134638807
Energy: 0.6595345240070772
Energy: 0.6249142922968773
Energy: 0.6597748415230988
Energy: 0.6338430008036959
Energy: 0.6597748415230988
Energy: 0.6024979623275719
Energy: 0.6039691657955438
Energy: 0.5820911430300244
Energy: 0.6039691657947561
Energy: 0.6038185616666616
Energy: 0.6040166966811356
Energy: 0.5821530495497718
Energy: 0.6040166966811356
Energy: 0.5815170303436517
Energy: 0.6053714855793151
Energy: 0.6465746591801352
Energy: 0.6053714855785273

minimum gb energy = 0.5815170303436517 eV
minimum distance =  2.58377244483336 Angstroms
sigma value = 9


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

Energy: 0.9017621041555522
Energy: 0.6480012694042507
Energy: 0.6904874602011706
Energy: 0.6904143525417835
Energy: 0.657518994099626
Energy: 0.6849685794143447
Energy: 0.6725007771016402
Energy: 0.6849685794143447
Energy: 0.691059856424737
Energy: 0.6910806261792082
Energy: 0.7145309265837418
Energy: 0.6910806261801479
Energy: 0.6493316667408174
Energy: 0.6861284350336511
Energy: 0.6500755183795272
Energy: 0.6861284350327113
Energy: 0.6241790585272248
Energy: 0.6536058936486356
Energy: 0.65056308195686
Energy: 0.6536058936467561
Energy: 0.6497557699638667
Energy: 0.6507281583229165
Energy: 0.651186897210238
Energy: 0.6507281583229165
Energy: 0.6577591094722862
Energy: 0.7153728232690624
Energy: 0.6503098496065058
Energy: 0.7153728232690624
Energy: 0.6774034207820264
Energy: 0.7125195945147517
Energy: 0.6579265560524667
Energy: 0.7125195945147517
Energy: 0.6901434923213147
Energy: 0.6912886251025366
Energy: 0.6441795077533176
Energy: 0.6912886251025366
Energy: 0.66340358456033
Energy: 0.6743017189957395
Energy: 0.6260776075544565
Energy: 0.6743017189947997
Energy: 0.6031048981794283
Energy: 0.6162778485230954
Energy: 0.6157095121055824
Energy: 0.6162778485230954
Energy: 0.6663469887583628
Energy: 0.6038628577674606
Energy: 0.6162552536957948
Energy: 0.603862857766521
Energy: 0.727035591273414
Energy: 0.7266390616452382
Energy: 0.7146441979103527
Energy: 0.7266390616461779
Energy: 0.6865496073993483
Energy: 0.6914272497069024
Energy: 0.6547560181532348
Energy: 0.6914272497069024
Energy: 0.6242796026393679
Energy: 0.6623601791414441
Energy: 0.6491150399149689
Energy: 0.6623601791433236
Energy: 0.6703447519769414
Energy: 0.6624303740211231
Energy: 0.6489678677256246
Energy: 0.6624303740211231
Energy: 0.6578740749151927
Energy: 0.7273648319340904
Energy: 0.6492197456512976
Energy: 0.7273648319350302
Energy: 0.6580427385802029
Energy: 0.72674735461572
Energy: 0.6491239364900772
Energy: 0.72674735461572
Energy: 0.6517037197074589
Energy: 0.6527901839812535
Energy: 0.644438329638263
Energy: 0.6527901839803137
Energy: 0.6519242785878345
Energy: 0.6529114101198724
Energy: 0.6441629229252911
Energy: 0.6529114101198724
Energy: 0.6438214521885821
Energy: 0.6736256914528769
Energy: 0.692510839492372
Energy: 0.6736256914519372

minimum gb energy = 0.6031048981794283 eV
minimum distance =  2.56486261519829 Angstroms
sigma value = 25


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

Energy: 0.7437697255706558
Energy: 0.6300512630148463
Energy: 0.7149177933003872
Energy: 0.7141050239834564
Energy: 0.7118923325660174
Energy: 0.6743139253245044
Energy: 0.6416391312370358
Energy: 0.6743139253256667
Energy: 0.7138113301285239
Energy: 0.7140726623306801
Energy: 0.7117094254168792
Energy: 0.7140726623306801
Energy: 0.7144922909213257
Energy: 0.6749346086387696
Energy: 0.6413941520534563
Energy: 0.6749346086387696
Energy: 0.6392527535106586
Energy: 0.6421360542325067
Energy: 0.6417719323253214
Energy: 0.6421360542325067
Energy: 0.625288791589659
Energy: 0.6425476779902757
Energy: 0.6403207513811296
Energy: 0.6425476779879514
Energy: 0.622495624274899
Energy: 0.6418695694087507
Energy: 0.6418845927892645
Energy: 0.6418695694087507
Energy: 0.6226979568152825
Energy: 0.6759479341052875
Energy: 0.6420301808388591
Energy: 0.6759479341064497
Energy: 0.7134639977349836
Energy: 0.7139844740506317
Energy: 0.796852389065362
Energy: 0.7139844740506317
Energy: 0.7287399605081565
Energy: 0.6419234974296426
Energy: 0.7108123311334797
Energy: 0.6419235163452381
Energy: 0.7115612798890889
Energy: 0.7142410347444408
Energy: 0.7144108158345858
Energy: 0.7142410347444408
Energy: 0.7118278603979992
Energy: 0.6755721215376852
Energy: 0.7145486206206686
Energy: 0.6755721215365231
Energy: 0.6409007133992868
Energy: 0.6255035191478148
Energy: 0.639204468883584
Energy: 0.6255035191478148
Energy: 0.6420712406877401
Energy: 0.6425465904704801
Energy: 0.6266740805199352
Energy: 0.6425465904751289
Energy: 0.6418286808947543
Energy: 0.6415053783712205
Energy: 0.6226300820766314
Energy: 0.6415053783723562
Energy: 0.6410719679352621
Energy: 0.6418190320525432
Energy: 0.6225869300751421
Energy: 0.641819032021164
Energy: 0.7979331297579261
Energy: 0.6263195389298292
Energy: 0.7208295693426661
Energy: 0.6263195389309913

minimum gb energy = 0.622495624274899 eV
minimum distance =  2.65349390271094 Angstroms
sigma value = 17


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

Energy: 1.024416554738037
Energy: 0.7363454257289772
Energy: 0.7871447389620666
Energy: 0.7881172345366259
Energy: 0.640495182677414
Energy: 0.6898144892715965
Energy: 0.6877247834802339
Energy: 0.6898144892538248
Energy: 0.6874023326061971
Energy: 0.6863843788677362
Energy: 0.731153685916473
Energy: 0.6863843788677362
Energy: 0.6873601395205223
Energy: 0.6894607060680462
Energy: 0.6871334278878577
Energy: 0.6894607060660716
Energy: 0.6865984786280206
Energy: 0.7143016692708787
Energy: 0.6412113756003666
Energy: 0.7143016692721952
Energy: 0.6882969984767028
Energy: 0.6811027604341133
Energy: 0.686320894202313
Energy: 0.6811027604341133
Energy: 0.7290143176977699
Energy: 0.6862078182313183
Energy: 0.6856673169497021
Energy: 0.6862078182306601
Energy: 0.7921690876809163
Energy: 0.6880317823372999
Energy: 0.6571100120500255
Energy: 0.688031782337958
Energy: 0.7884828953100693
Energy: 0.787814014136873
Energy: 0.7861900852392207
Energy: 0.787814014136873
Energy: 0.792014845499581
Energy: 0.7296024718828229
Energy: 0.6878938187419404
Energy: 0.7296024718828229
Energy: 0.6866981975880994
Energy: 0.654748402079921
Energy: 0.6534226564855872
Energy: 0.654748402079921
Energy: 0.7329271841138086
Energy: 0.6553590611157109
Energy: 0.6553275137932526
Energy: 0.6553590611150526
Energy: 0.7312761366379924
Energy: 0.6751203821035782
Energy: 0.6746438296001699
Energy: 0.6751203821042363
Energy: 0.7294976717500965
Energy: 0.6748312493926965
Energy: 0.653809373029952
Energy: 0.6748312493926965
Energy: 0.7897170395272495
Energy: 0.7343746488305093
Energy: 0.7329707437815092
Energy: 0.7343746488291929
Energy: 0.7882279257340766
Energy: 0.7327550995628072
Energy: 0.8400463403761352
Energy: 0.7327550995614908
Energy: 0.7878999745480527
Energy: 0.6861203469832299
Energy: 0.6865436120393387
Energy: 0.6861203469825716
Energy: 0.7877050613696001
Energy: 0.6883314391700333
Energy: 0.6842305292875679
Energy: 0.6883314391706915
Energy: 0.6869823183350109
Energy: 0.7145693343809691
Energy: 0.686251361344548
Energy: 0.7145693343796528
Energy: 0.7072104335074338
Energy: 0.6811071212652108
Energy: 0.6863907234389434
Energy: 0.681107121265869
Energy: 0.686997306967478
Energy: 0.6888192049546364
Energy: 0.7326875051329073
Energy: 0.6888192049546364
Energy: 0.6861883842869517
Energy: 0.6872797041668849
Energy: 0.729398101252668
Energy: 0.6872797041682012
Energy: 0.6867204039086962
Energy: 0.729461253204419
Energy: 0.749716955192444
Energy: 0.729461253204419
Energy: 0.7866007864253942
Energy: 0.7879271018063225
Energy: 0.786033418082302
Energy: 0.7879271018056642
Energy: 0.6544398201714264
Energy: 0.6753825564290552
Energy: 0.7328410289919963
Energy: 0.675382556428397
Energy: 0.6554235791626205
Energy: 0.6549529278769705
Energy: 0.685386089360522
Energy: 0.6549529278769705
Energy: 0.6530879288602811
Energy: 0.6560538158619953
Energy: 0.733186940948077
Energy: 0.6560538158593624
Energy: 0.6584197438622693
Energy: 0.6543116590590934
Energy: 0.7291831921516185
Energy: 0.6543116590590934
Energy: 0.6547589017422701
Energy: 0.6775652620578325
Energy: 0.730599379671777
Energy: 0.6775652620571744
Energy: 0.7336745489950804
Energy: 0.7875669292897804
Energy: 0.7862988040629487
Energy: 0.7875669292891221

minimum gb energy = 0.640495182677414 eV
minimum distance =  2.60998501174812 Angstroms
sigma value = 53


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

Energy: 0.932850960018391
Energy: 0.6180199215013209
Energy: 0.7346034272284775
Energy: 0.7333710439606428
Energy: 0.8445596479606711
Energy: 0.6526513518184015
Energy: 0.7335790944734389
Energy: 0.6526513518202095
Energy: 0.7333902639203131
Energy: 0.7335979835893853
Energy: 0.7352103659943886
Energy: 0.7335979835895404
Energy: 0.735774884530553
Energy: 0.6533797150013969
Energy: 0.7313924265208583
Energy: 0.6533797149983663
Energy: 0.7410823253875841
Energy: 0.6529013783631632
Energy: 0.6092482644154026
Energy: 0.6529013783637659
Energy: 0.7344021353499509
Energy: 0.6552646094448684
Energy: 0.6107141408297828
Energy: 0.6552646094434909
Energy: 0.8445502395011197
Energy: 0.7330872596040919
Energy: 0.7329332453144316
Energy: 0.7330872596040919
Energy: 0.8451480996395745
Energy: 0.6547387777338014
Energy: 0.7327057685919549
Energy: 0.6547387777346967
Energy: 0.7331268834411119
Energy: 0.7350603251882697
Energy: 0.7362078660691624
Energy: 0.7350603251891823
Energy: 0.7297902660821465
Energy: 0.6541554098009366
Energy: 0.7354951886381385
Energy: 0.6541554098004716
Energy: 0.7347852185114836
Energy: 0.6566248276964147
Energy: 0.6201257034118534
Energy: 0.6566248276945895
Energy: 0.7353911270161232
Energy: 0.6527389680490694
Energy: 0.6092657579112744
Energy: 0.6527389680498271
Energy: 0.844990864314158
Energy: 0.6553274073381182
Energy: 0.7322627371350697
Energy: 0.6553274073399262

minimum gb energy = 0.6092482644154026 eV
minimum distance =  2.64333126601527 Angstroms
sigma value = 9


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

Energy: 0.9069333136734923
Energy: 0.7540990501602157
Energy: 0.821432929348369
Energy: 0.8210871853339476
Energy: 0.7084867593887756
Energy: 0.6683530071731512
Energy: 0.8178115829261706
Energy: 0.6683530071731512
Energy: 0.6745544282014362
Energy: 0.6706509196540653
Energy: 0.805491054661873
Energy: 0.6706509196529437
Energy: 0.6694471881994625
Energy: 0.670306363057649
Energy: 0.8664465430776314
Energy: 0.6703063630582099
Energy: 0.6689228728149377
Energy: 0.6684258424473296
Energy: 0.8647480316578999
Energy: 0.6684258424467687
Energy: 0.6678958076146496
Energy: 0.6683607203026917
Energy: 0.8663296440825184
Energy: 0.6683607203004484
Energy: 0.8178447508169135
Energy: 0.8077433887240975
Energy: 0.8161236674899504
Energy: 0.8077433887274624
Energy: 0.8158048938068542
Energy: 0.7413504791725617
Energy: 0.8086041572707806
Energy: 0.7413504791731226
Energy: 0.7069035633675121
Energy: 0.751657898681866
Energy: 0.7216023085656127
Energy: 0.7516578986807444
Energy: 0.6675215469359542
Energy: 0.7256984221733589
Energy: 0.8070344075460679
Energy: 0.7256984221722372
Energy: 0.707708136642124
Energy: 0.7076859813588691
Energy: 0.7479104921300175
Energy: 0.7076859813583082
Energy: 0.7135656157394905
Energy: 0.7550803553790867
Energy: 0.8639794184590873
Energy: 0.7550803553790867
Energy: 0.8159902587110858
Energy: 0.7074720034578172
Energy: 0.7166402188429348
Energy: 0.7074720034583781
Energy: 0.8151809575535218
Energy: 0.7080480929284938
Energy: 0.708034948995538
Energy: 0.7080480929273977
Energy: 0.8069768753318322
Energy: 0.7263094304932501
Energy: 0.7129391064898303
Energy: 0.7263094304932501
Energy: 0.7733255159348125
Energy: 0.7515889195648899
Energy: 0.7128871566952701
Energy: 0.7515889195660116
Energy: 0.8070231133679177
Energy: 0.6685883145360466
Energy: 0.7098472412006679
Energy: 0.6685883145360466
Energy: 0.8217190124478874
Energy: 0.8089970319947372
Energy: 0.9053632154549281
Energy: 0.808997031995298
Energy: 0.8177171146458747
Energy: 0.6685214685843613
Energy: 0.708864601224808
Energy: 0.6685214685843613
Energy: 0.8433458016353346
Energy: 0.6719405444808532
Energy: 0.6750618977233016
Energy: 0.671940544481414
Energy: 0.8669329560677491
Energy: 0.6696131070053571
Energy: 0.6698653487690528
Energy: 0.6696131070025529
Energy: 0.8647676176005099
Energy: 0.6682419370011146
Energy: 0.668016484255618
Energy: 0.6682419370016754
Energy: 0.8648252396758663
Energy: 0.6686783771616958
Energy: 0.6676863183503081
Energy: 0.6686783771628174
Energy: 0.816941829644548
Energy: 0.8071393111809032
Energy: 0.817872840936748
Energy: 0.8071393111797814
Energy: 0.8094061033462753
Energy: 0.8207736016166047
Energy: 0.8150701351358065
Energy: 0.8207736016188483
Energy: 0.7201240920517606
Energy: 0.7503733630464777
Energy: 0.7072167314194113
Energy: 0.7503733630481602
Energy: 0.8066348371746281
Energy: 0.7259241672808948
Energy: 0.6673891249741113
Energy: 0.7259241672803339
Energy: 0.7598523605386187
Energy: 0.7104839546452308
Energy: 0.707419287870402
Energy: 0.7104839546457916
Energy: 0.8645605444886093
Energy: 0.7113471978721692
Energy: 0.7131201391997252
Energy: 0.7113471978721692
Energy: 0.7174738014359711
Energy: 0.701453643850718
Energy: 0.8155648437815448
Energy: 0.7014536438512788
Energy: 0.7098465368831679
Energy: 0.7080093775789205
Energy: 0.8045161420574722
Energy: 0.7080093775794813
Energy: 0.7112007500863752
Energy: 0.7020601871881812
Energy: 0.8070956454432006
Energy: 0.7020601871864987
Energy: 0.7135562184991572
Energy: 0.7503049024663965
Energy: 0.7472388427812555
Energy: 0.7503049024680789
Energy: 0.7085925901002483
Energy: 0.6689212774407481
Energy: 0.750238167095396
Energy: 0.6689212774407481
Energy: 0.8638811667783203
Energy: 0.807902513024406
Energy: 0.8087322887550328
Energy: 0.8079025130227233

minimum gb energy = 0.6673891249741113 eV
minimum distance =  2.59714967790296 Angstroms
sigma value = 73


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

Energy: 0.969991775555434
Energy: 0.7181005420828143
Energy: 0.792789176913852
Energy: 0.7932316752546426
Energy: 0.7174093746363339
Energy: 0.6841421308653086
Energy: 0.769391425406965
Energy: 0.6841421308661985
Energy: 0.6865949117611841
Energy: 0.6851201706500548
Energy: 0.7981876121449899
Energy: 0.6851201706491852
Energy: 0.6850888230044444
Energy: 0.6844474968355343
Energy: 0.8558074488761267
Energy: 0.6844474968346445
Energy: 0.6852280823980418
Energy: 0.6856986219243061
Energy: 0.8525209345443384
Energy: 0.6856986219234161
Energy: 0.7332678087450857
Energy: 0.6858070493422496
Energy: 0.8529762652189483
Energy: 0.6858070493422496
Energy: 0.7695238227122543
Energy: 0.7947235256867131
Energy: 0.8062023542121206
Energy: 0.7947235256858436
Energy: 0.7255356375857753
Energy: 0.75547616857718
Energy: 0.7944204695644674
Energy: 0.75547616857718
Energy: 0.7223544426712044
Energy: 0.7620588781926491
Energy: 0.7962797048778745
Energy: 0.7620588781908897
Energy: 0.7196251566493155
Energy: 0.7010063112763437
Energy: 0.7923092462963254
Energy: 0.701006311275454
Energy: 0.7121290685770514
Energy: 0.6704267010942915
Energy: 0.6741234009819611
Energy: 0.6704267010925118
Energy: 0.7095729078148532
Energy: 0.6719674161754795
Energy: 0.8391234709188367
Energy: 0.6719674161754795
Energy: 0.7976029287455207
Energy: 0.7194356007400314
Energy: 0.7091843303859019
Energy: 0.7194356007409213
Energy: 0.7964273478100813
Energy: 0.7138942437431426
Energy: 0.7116323857864049
Energy: 0.713894243746702
Energy: 0.807273119186767
Energy: 0.7508635807108759
Energy: 0.7096229135052992
Energy: 0.7508635807090963
Energy: 0.8529954555393867
Energy: 0.7094117209023337
Energy: 0.7096048154382922
Energy: 0.7094117209014439
Energy: 0.8534303428659057
Energy: 0.7516930553862501
Energy: 0.7117171090754354
Energy: 0.7516930553755724
Energy: 0.7731683117025208
Energy: 0.7721877909221591
Energy: 0.770243568648676
Energy: 0.7721877909141709
Energy: 0.769693849029109
Energy: 0.7331585942681442
Energy: 0.7672067573121014
Energy: 0.7331585942681442
Energy: 0.7783541381536757
Energy: 0.7316092837083341
Energy: 0.7674108714971193
Energy: 0.7316092837065544
Energy: 0.7700681762381532
Energy: 0.7334012219254374
Energy: 0.7185935780179091
Energy: 0.7334012219245476
Energy: 0.8518236146049769
Energy: 0.766518489365042
Energy: 0.7692088226652944
Energy: 0.7665184893677115

minimum gb energy = 0.6704267010925118 eV
minimum distance =  2.57378349456437 Angstroms
sigma value = 7


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

Energy: 1.133523628600434
Energy: 0.6920524702356539
Energy: 0.7951454897028892
Energy: 0.7951971805844279
Energy: 0.7524101831009551
Energy: 0.6870410275047488
Energy: 0.8434856028163075
Energy: 0.6870410275066364
Energy: 0.6849776489142552
Energy: 0.6863631838911693
Energy: 0.7575159032299607
Energy: 0.6863631838886525
Energy: 0.6843028235188567
Energy: 0.6857407007459125
Energy: 0.8408003189577846
Energy: 0.6857407007490585
Energy: 0.6870320592396314
Energy: 0.6875539244794395
Energy: 0.8179306325755601
Energy: 0.6875539244788104
Energy: 0.6855762971891443
Energy: 0.6876422261925463
Energy: 0.8172511406763086
Energy: 0.6876422261931757
Energy: 0.8419742899448585
Energy: 0.6864949346115508
Energy: 0.6843141907820964
Energy: 0.6864949346084048
Energy: 0.8434487383732222
Energy: 0.6883155115724244
Energy: 0.6872705481867151
Energy: 0.6883155115692786
Energy: 0.8395095547039253
Energy: 0.685483533679932
Energy: 0.6843501673536118
Energy: 0.685483533676786
Energy: 0.8261908298675924
Energy: 0.6879099625282566
Energy: 0.685802193693141
Energy: 0.6879099625307735
Energy: 0.843532190483982
Energy: 0.7776153268329118
Energy: 0.7677656626012819
Energy: 0.7776153268310243
Energy: 0.7635470469346174
Energy: 0.7587875085140521
Energy: 0.8406722185444644
Energy: 0.7587875085146814
Energy: 0.75785605536688
Energy: 0.7277135596250683
Energy: 0.7629492663950326
Energy: 0.7277135596250683
Energy: 0.7559206481480822
Energy: 0.7261965018502957
Energy: 0.6920684961802042
Energy: 0.7261965018465205
Energy: 0.763164870417182
Energy: 0.7275016345323098
Energy: 0.6935717837854749
Energy: 0.7275016345348265
Energy: 0.856452101745012
Energy: 0.7592514648241533
Energy: 0.7635827137842057
Energy: 0.7592514648247827
Energy: 0.690482269907118
Energy: 0.729332247863669
Energy: 0.8438457004896407
Energy: 0.7293322478605231
Energy: 0.6861380334380435
Energy: 0.6879207260681176
Energy: 0.7579563315872718
Energy: 0.6879207260756679
Energy: 0.6826530773548121
Energy: 0.6856439180568881
Energy: 0.8398826732374285
Energy: 0.6856439180581465
Energy: 0.6872615002397415
Energy: 0.6882581308319912
Energy: 0.7757482945992583
Energy: 0.6882581308319912
Energy: 0.6842759475036211
Energy: 0.6865959603633249
Energy: 0.82041974299675
Energy: 0.6865959603683587
Energy: 0.838957410358252
Energy: 0.6881231768973786
Energy: 0.6852296006981615
Energy: 0.688123176898008
Energy: 0.8387209771413068
Energy: 0.687472740984493
Energy: 0.6867109596257241
Energy: 0.687472740985122
Energy: 0.8405243094922454
Energy: 0.6856740744443423
Energy: 0.68459429481126
Energy: 0.6856740744430839
Energy: 0.8243009117039991
Energy: 0.6862964771486403
Energy: 0.6851407536300025
Energy: 0.6862964771524155
Energy: 0.8204190149368265
Energy: 0.6860360824385806
Energy: 0.6874548163654071
Energy: 0.6860360824442434
Energy: 0.7953611676868276
Energy: 0.7667609732459889
Energy: 0.9781323883539231
Energy: 0.7667609732453596
Energy: 0.7592589930395629
Energy: 0.7287760826558713
Energy: 0.7641148632852343
Energy: 0.7287760826558713
Energy: 0.7583014960525871
Energy: 0.7268984619333115
Energy: 0.757827097303025
Energy: 0.7268984619339408
Energy: 0.7621555825582588
Energy: 0.7301200291383416
Energy: 0.691797803831765
Energy: 0.7301200291364541
Energy: 0.8562894241545694
Energy: 0.7624851017980017
Energy: 0.762585705836373
Energy: 0.7624851017980017

minimum gb energy = 0.6826530773548121 eV
minimum distance =  2.59393621364936 Angstroms
sigma value = 29


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

Energy: 0.6409557134528743
Energy: 0.6426880124961067
Energy: 0.6565101616852256
Energy: 0.7804597570968032
Energy: 0.6462894831002798
Energy: 0.7058706937003204
Energy: 0.6583689357365531
Energy: 0.7058706937003204
Energy: 0.6537564876103965
Energy: 0.690562619511343
Energy: 0.6438073934422879
Energy: 0.6905626195111482
Energy: 0.6456448111108979
Energy: 0.6538495154644066
Energy: 0.6538447645621858
Energy: 0.6538495154650398
Energy: 0.6524256731661071
Energy: 0.6561802645734144
Energy: 0.6454914377251232
Energy: 0.6561802645738284
Energy: 0.6530669812024725
Energy: 0.6962807102672994
Energy: 0.6460175776883263
Energy: 0.6962807102677379
Energy: 0.6443478675516937
Energy: 0.6895962499518371
Energy: 0.6537026643010823
Energy: 0.6895962499531035
Energy: 0.6571828799734055
Energy: 0.6579738631033333
Energy: 0.6459349653879572
Energy: 0.657973863104624
Energy: 0.6459141847231537
Energy: 0.6544954641102734
Energy: 0.6580060349212781
Energy: 0.6544954641070588

minimum gb energy = 0.6409557134528743 eV
minimum distance =  2.61558847562343 Angstroms
sigma value = 5


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

Energy: 0.8952943654359068
Energy: 0.6203473780782057
Energy: 0.7532347112338432
Energy: 0.640475806231519
Energy: 0.6534176174275964
Energy: 0.6391013581006147
Energy: 0.7407829233543048
Energy: 0.6391013581006147
Energy: 0.7584598959862194
Energy: 0.6900776738059426
Energy: 0.7596484308243279
Energy: 0.6900776738053483
Energy: 0.6543299443692433
Energy: 0.637815166904449
Energy: 0.7335031949985804
Energy: 0.6378151669032601
Energy: 0.7323831142082959
Energy: 0.6370755759072116
Energy: 0.7565818169919174
Energy: 0.6370755759084002
Energy: 0.6374098504895516
Energy: 0.638752395330135
Energy: 0.7565716641674926
Energy: 0.638752395330135
Energy: 0.6371818427909636
Energy: 0.63735054949076
Energy: 0.7340533907576691
Energy: 0.6373505494901657
Energy: 0.6441365001842856
Energy: 0.6399951600776065
Energy: 0.8110471773035207
Energy: 0.6399951600776065
Energy: 0.6569308856335695
Energy: 0.6575601820732441
Energy: 0.8543499936013969
Energy: 0.6575601820738385
Energy: 0.7736005248132253
Energy: 0.6230019276376588
Energy: 0.6267860799404064
Energy: 0.6230019276376588
Energy: 0.6557974318947333
Energy: 0.6214170617796348
Energy: 0.6206840152968032
Energy: 0.6214170617790405
Energy: 0.8543509825196842
Energy: 0.6206342290453173
Energy: 0.6208813847711886
Energy: 0.6206342290429399
Energy: 0.850905699616199
Energy: 0.6210106730369869
Energy: 0.620591861423005
Energy: 0.6210106730375812
Energy: 0.6373968150436532
Energy: 0.6542982814629362
Energy: 0.7575487902589015
Energy: 0.654298281464125
Energy: 0.6370577990538916
Energy: 0.6374335896052259
Energy: 0.7575368807872631
Energy: 0.6374335896034428
Energy: 0.6406429702624905
Energy: 0.6385190398347015
Energy: 0.7327390248272406
Energy: 0.6385190398335128
Energy: 0.6384351702431852
Energy: 0.637793537016702
Energy: 0.6524952344985209
Energy: 0.637793537014919
Energy: 0.7504555923522132
Energy: 0.6397878494158808
Energy: 0.6537937587417249
Energy: 0.6397878494158808
Energy: 0.7605074095662526
Energy: 0.6912287371111981
Energy: 0.7430093237725492
Energy: 0.6912287371100095
Energy: 0.7352838276439952
Energy: 0.6917062390790922
Energy: 0.6526054038826965
Energy: 0.6917062390784978
Energy: 0.7570230118948055
Energy: 0.6446346249221281
Energy: 0.7342495234625322
Energy: 0.6446346249221281
Energy: 0.7565081575464013
Energy: 0.636860538633494
Energy: 0.6371042417003735
Energy: 0.6368605386340883
Energy: 0.7329093148080048
Energy: 0.6376194358760935
Energy: 0.6377780227883493
Energy: 0.6376194358754991
Energy: 0.8119989577787092
Energy: 0.6390111517326926
Energy: 0.6413607589479788
Energy: 0.6390111517338813
Energy: 0.8156539360120703
Energy: 0.6548514126297852
Energy: 0.6554765079599172
Energy: 0.6548514126303795
Energy: 0.6299101747025632
Energy: 0.6228038005155738
Energy: 0.7735008000948482
Energy: 0.6228038005161682
Energy: 0.6225481547352001
Energy: 0.6227762054645012
Energy: 0.6569471046152435
Energy: 0.6227762054650956
Energy: 0.6200469087668362
Energy: 0.6227892504978512
Energy: 0.6865027626583771
Energy: 0.6227892504984455
Energy: 0.6201823439537862
Energy: 0.6218083776367707
Energy: 0.8098849006126675
Energy: 0.6218083776361762
Energy: 0.7575099757310527
Energy: 0.6538663867556543
Energy: 0.6550229882459306
Energy: 0.6538663867538712
Energy: 0.7576069136799692
Energy: 0.6379853471527948
Energy: 0.638573110930684
Energy: 0.6379853471527948
Energy: 0.7327138204321596
Energy: 0.6382606686558185
Energy: 0.6382654347412338
Energy: 0.6382606686558185
Energy: 0.6536984563027458
Energy: 0.6373202637385313
Energy: 0.6371430795926887
Energy: 0.6373202637385313

minimum gb energy = 0.6200469087668362 eV
minimum distance =  2.58757430488545 Angstroms
sigma value = 1


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

Energy: 0.9597756039843837
Energy: 0.5861370793560984
Energy: 0.6085778572359096
Energy: 0.6074292987564921
Energy: 0.6268854020200778
Energy: 0.6078069981683101
Energy: 0.7480847849173178
Energy: 0.6078069981699535
Energy: 0.7483099942547218
Energy: 0.6736420193478184
Energy: 0.7500876565918052
Energy: 0.6736420193494621
Energy: 0.6242045355594508
Energy: 0.6737974521869137
Energy: 0.7398222661389178
Energy: 0.6737974521877355
Energy: 0.6063493158767503
Energy: 0.605610234637064
Energy: 0.7461071291313608
Energy: 0.605610234637064
Energy: 0.6052836718585339
Energy: 0.6073737814039109
Energy: 0.7468676537254927
Energy: 0.6073737814039109
Energy: 0.6040423777493694
Energy: 0.6049492283518982
Energy: 0.7407099953822367
Energy: 0.6049492283560074
Energy: 0.6077490964196562
Energy: 0.6092588263403717
Energy: 0.8515730975242581
Energy: 0.6092588263420153
Energy: 0.7403875411253809
Energy: 0.6374722117882735
Energy: 0.8516745598822273
Energy: 0.6374722117882735
Energy: 0.7489555699175042
Energy: 0.6112142697628061
Energy: 0.6254562461045403
Energy: 0.6112142697628061
Energy: 0.7412545527733101
Energy: 0.6052693087064748
Energy: 0.6044359089269377
Energy: 0.6052693087048312
Energy: 0.8488998662708289
Energy: 0.6124167362206665
Energy: 0.6055129822770902
Energy: 0.6124167362214883
Energy: 0.8488425920643403
Energy: 0.6056743555229172
Energy: 0.6057755940992281
Energy: 0.6056743555253825
Energy: 0.7390900934455082
Energy: 0.6736794215581845
Energy: 0.7494085129512789
Energy: 0.6736794215565408
Energy: 0.6251949942749481
Energy: 0.672809130822897
Energy: 0.7485055413814677
Energy: 0.672809130822075
Energy: 0.6234957985392459
Energy: 0.6068682094413501
Energy: 0.7409984911095309
Energy: 0.6068682094413501
Energy: 0.6056537306211089
Energy: 0.6064745600080682
Energy: 0.7480384569294699
Energy: 0.6064745600080682
Energy: 0.611606241838634
Energy: 0.6099404434784258
Energy: 0.7397028479560626
Energy: 0.6099404434767822
Energy: 0.6044844944152855
Energy: 0.6061170668934879
Energy: 0.8517873308636378
Energy: 0.6061170668934879
Energy: 0.6069597014982794
Energy: 0.6147101700285428
Energy: 0.8522099265260261
Energy: 0.6147101700293646
Energy: 0.746031047129764
Energy: 0.6321595204673229
Energy: 0.7410225657928954
Energy: 0.6321595204673229
Energy: 0.7478242308384057
Energy: 0.6069628658095205
Energy: 0.6078236530220197
Energy: 0.6069628658103423
Energy: 0.7400153801209339
Energy: 0.605427438345051
Energy: 0.6057674778413681
Energy: 0.6054274383466759
Energy: 0.8488242068823928
Energy: 0.6057989103494884
Energy: 0.6055157773657055
Energy: 0.6057989103478447

minimum gb energy = 0.5861370793560984 eV
minimum distance =  2.58843581225959 Angstroms
sigma value = 17


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

Energy: 1.0287351973764212
Energy: 0.5858658042359592
Energy: 0.7299122377236228
Energy: 0.6012904115314252
Energy: 0.6090841593534772
Energy: 0.5993700334221272
Energy: 0.689532799107887
Energy: 0.5993700334211114
Energy: 0.7800703814133223
Energy: 0.5976570413275091
Energy: 0.7084776255249681
Energy: 0.5976570413290327
Energy: 0.8056427207730094
Energy: 0.6307998927559283
Energy: 0.68262850922576
Energy: 0.6307998927559283
Energy: 0.6716713915569771
Energy: 0.5859548846351911
Energy: 0.8046468868424523
Energy: 0.5859548846361838
Energy: 0.5863690144648028
Energy: 0.5855204451772915
Energy: 0.7712601681383254
Energy: 0.5855204451762756
Energy: 0.5862198187610407
Energy: 0.5854377697290627
Energy: 0.610820519799417
Energy: 0.5854377697285547
Energy: 0.5921287013631199
Energy: 0.5871129557200958
Energy: 0.7869790158236204
Energy: 0.5871129557195877
Energy: 0.7779821614473886
Energy: 0.5870886559831714
Energy: 0.758793064598873
Energy: 0.5870886559826636
Energy: 0.7108106869070263
Energy: 0.6334796556156463
Energy: 0.6894698470728828
Energy: 0.6334796556146306
Energy: 0.7753628419672514
Energy: 0.5977211022957986
Energy: 0.6081846226393672
Energy: 0.5977211022957986
Energy: 0.7820871121874186
Energy: 0.6015615654718784
Energy: 0.6832531369843101
Energy: 0.6015615654703547
Energy: 0.7713816430925055
Energy: 0.5977321832532129
Energy: 0.598166629826664
Energy: 0.5977321832521971
Energy: 0.7001000414586623
Energy: 0.5978020493569413
Energy: 0.5992679739114279
Energy: 0.5978020493564333
Energy: 0.8010246430491719
Energy: 0.5997128308382448
Energy: 0.6013830284883642
Energy: 0.5997128308392609
Energy: 0.7870984403707617
Energy: 0.5977327170228163
Energy: 0.6007844533436982
Energy: 0.5977327170233241
Energy: 0.5981281903539494
Energy: 0.6830516545749007
Energy: 0.6964525280999967
Energy: 0.6830516545743928
Energy: 0.5978748699036451
Energy: 0.5982604451895912
Energy: 0.7765852103299726
Energy: 0.5982604451916229
Energy: 0.6108219023583953
Energy: 0.5991973053996594
Energy: 0.7564723073604455
Energy: 0.5991973054001672
Energy: 0.5990730138817261
Energy: 0.597930626041676
Energy: 0.7878479781987215
Energy: 0.5979306260437078
Energy: 0.7086221082620308
Energy: 0.5995021698212514
Energy: 0.5986663535574646
Energy: 0.5995021698227752
Energy: 0.7084846947290263
Energy: 0.601234586465685
Energy: 0.8001528050693164
Energy: 0.6012345864646692
Energy: 0.6832323480170057
Energy: 0.6293413512890201
Energy: 0.8023824620654696
Energy: 0.6293413512869885
Energy: 0.8080308549836005
Energy: 0.5866422137180493
Energy: 0.6708843701419145
Energy: 0.5866422137185572
Energy: 0.7767314726748799
Energy: 0.5854379469081461
Energy: 0.5857571829142745
Energy: 0.5854379469076381
Energy: 0.6840772660257011
Energy: 0.5861794662182425
Energy: 0.588935696845377
Energy: 0.5861794662182425
Energy: 0.5907904792575153
Energy: 0.5875456269864372
Energy: 0.5902947202596152
Energy: 0.5875456269864372
Energy: 0.6853516234694224
Energy: 0.5871036821580545
Energy: 0.7767316368068811
Energy: 0.5871036821585626
Energy: 0.6892658642481935
Energy: 0.6321458403830795
Energy: 0.7088477845589243
Energy: 0.6321458403840954
Energy: 0.6092223231811824
Energy: 0.5975294383841157
Energy: 0.7735279447083787
Energy: 0.5975294383846236
Energy: 0.6830883992394217
Energy: 0.5983228558946739
Energy: 0.7865412750675459
Energy: 0.5983228558951819
Energy: 0.5976993653016588
Energy: 0.5980567125338616
Energy: 0.7710565084719181
Energy: 0.5980567125338616
Energy: 0.597682962882681
Energy: 0.5973431277165983
Energy: 0.7008719500124648
Energy: 0.5973431277165983
Energy: 0.6036746564194431
Energy: 0.6010917989394006
Energy: 0.8027690807611747
Energy: 0.6010917989394006
Energy: 0.7043976626310958
Energy: 0.6150379197479966
Energy: 0.7869931044081933
Energy: 0.6150379197474886
Energy: 0.9212814100106633
Energy: 0.6012759189697936
Energy: 0.5993496739773837
Energy: 0.6012759189687776
Energy: 0.7759321917504546
Energy: 0.5976104973912161
Energy: 0.598485701998372
Energy: 0.5976104973912161
Energy: 0.7597032142547614
Energy: 0.6008564752231677
Energy: 0.5983193698286994
Energy: 0.6008564752236755

minimum gb energy = 0.5854377697285547 eV
minimum distance =  2.58556622955517 Angstroms
sigma value = 89


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

Energy: 1.0947836885426598
Energy: 0.5653085501363198
Energy: 0.5469842029127865
Energy: 0.546959600252315
Energy: 0.5465818385889424
Energy: 0.5978711419862514
Energy: 0.5468001627528009
Energy: 0.5978711419863721
Energy: 0.54150370415468
Energy: 0.5981441969540892
Energy: 0.5596998051827872
Energy: 0.5981441969536814
Energy: 0.5420883258865935
Energy: 0.598773555592545
Energy: 0.545397138431822
Energy: 0.5987735555921523
Energy: 0.5448053696623336
Energy: 0.5454116731556633
Energy: 0.5559932028701243
Energy: 0.545411673156192
Energy: 0.5447276827846349
Energy: 0.5448014309799101
Energy: 0.5548810393463905
Energy: 0.5448014309805747
Energy: 0.5442840599156333
Energy: 0.5439341953385667
Energy: 0.5464296955205662
Energy: 0.5439341953390953
Energy: 0.5461852483744397
Energy: 0.5475468470219464
Energy: 0.5404848154318438
Energy: 0.5475468470218106
Energy: 0.5469548529689242
Energy: 0.5467369076140686
Energy: 0.5405872255692327
Energy: 0.5467369076143404
Energy: 0.558260711672688
Energy: 0.5994640242709572
Energy: 0.5582508263329821
Energy: 0.5994640242708212
Energy: 0.5463711949273572
Energy: 0.5991856110991057
Energy: 0.5399431543208769
Energy: 0.5991856110996342
Energy: 0.5545520240268037
Energy: 0.5458906754534554
Energy: 0.5469658867353376
Energy: 0.5458906754527908
Energy: 0.5566456318675668
Energy: 0.5461562882407919
Energy: 0.5472981986776605
Energy: 0.5461562882417283
Energy: 0.5458704531640418
Energy: 0.5437038907819718
Energy: 0.5436984407552424
Energy: 0.5437038907825005
Energy: 0.540387493751681
Energy: 0.5456577511246329
Energy: 0.5460353144780827
Energy: 0.5456577511249047

minimum gb energy = 0.5399431543208769 eV
minimum distance =  2.614111708541 Angstroms
sigma value = 13


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

Energy: 0.9608091961307378
Energy: 0.5130951818603389
Energy: 0.674012782885823
Energy: 0.5187505809053008
Energy: 0.5199683392196122
Energy: 0.5166898184082797
Energy: 0.6204344943952065
Energy: 0.5166898184093938
Energy: 0.5195060712024707
Energy: 0.5156651894809546
Energy: 0.6268529646672453
Energy: 0.5156651894815117
Energy: 0.7299998959343142
Energy: 0.5180856547106023
Energy: 0.6130663370326465
Energy: 0.5180856547100452
Energy: 0.616639590014249
Energy: 0.5173921654037669
Energy: 0.741373418035324
Energy: 0.5173921653993104
Energy: 0.6145043932479756
Energy: 0.516569354029414
Energy: 0.6242061853711567
Energy: 0.516569354029971
Energy: 0.6251114936675165
Energy: 0.5162226022902247
Energy: 0.6111985804624229
Energy: 0.5162226022846542
Energy: 0.6128111698478411
Energy: 0.5154119529468616
Energy: 0.6269978424467485
Energy: 0.5154119529457476
Energy: 0.5257773361395343
Energy: 0.5174197422339345
Energy: 0.6154632031603046
Energy: 0.5174197422355803
Energy: 0.5154891324212069
Energy: 0.5163339943056536
Energy: 0.6143702268542891
Energy: 0.5163339943073249
Energy: 0.5174507106059572
Energy: 0.519952866661426
Energy: 0.9611862685215723
Energy: 0.5199528666558557
Energy: 0.6115016741803113
Energy: 0.5158516633953167
Energy: 0.6148802831658599
Energy: 0.5158516633947597
Energy: 0.6253378153619837
Energy: 0.5452412519668275
Energy: 0.6105321131474782
Energy: 0.5452412519612572
Energy: 0.6127657245503548
Energy: 0.5467058490826571
Energy: 0.7307748997291548
Energy: 0.5467058490859994
Energy: 0.618237945591152
Energy: 0.5170405035281492
Energy: 0.613728858289809
Energy: 0.5170405035231358
Energy: 0.6175227848854286
Energy: 0.5167588340175423
Energy: 0.5184107552497123
Energy: 0.5167588340219987
Energy: 0.6116466246856185
Energy: 0.5164827926925194
Energy: 0.5164519184626759
Energy: 0.5164827926891772
Energy: 0.520366051742156
Energy: 0.5170881693356172
Energy: 0.5178850241127395
Energy: 0.5170881693350603
Energy: 0.6988486917363584
Energy: 0.5172377946120937
Energy: 0.6106067415903853
Energy: 0.5172377946042952
Energy: 0.6136033441304957
Energy: 0.5152843808670144
Energy: 0.6254368042366724
Energy: 0.5152843808659003
Energy: 0.7292744488370139
Energy: 0.5190469051575002
Energy: 0.6109503064785979
Energy: 0.5190469051034673
Energy: 0.613942169766862
Energy: 0.5537887170191025
Energy: 0.6104130511796312
Energy: 0.5537887170191025
Energy: 0.6159241412766056
Energy: 0.5176300420558921
Energy: 0.624514170040607
Energy: 0.5176300420609056
Energy: 0.5197112947545015
Energy: 0.5152739353508893
Energy: 0.6134065314731307
Energy: 0.5152739353559027
Energy: 0.6120742693844797
Energy: 0.5165312571272834
Energy: 0.6175368001520746
Energy: 0.5165312571373102
Energy: 0.5166421062259609
Energy: 0.5154259764975515
Energy: 0.61714157041464
Energy: 0.5154259764969945
Energy: 0.5157381843284596
Energy: 0.5153664067504844
Energy: 0.6128029927705678
Energy: 0.5153664067482563
Energy: 0.5257882763851749
Energy: 0.5176839273811669
Energy: 0.5216976811855952
Energy: 0.517683927381724
Energy: 0.6100674589589999
Energy: 0.5170034742194233
Energy: 0.6997831421045264
Energy: 0.5170034742183092
Energy: 0.6248176296909331
Energy: 0.5471446715734131
Energy: 0.6103914701624358
Energy: 0.547144671571185
Energy: 0.6118226141962004
Energy: 0.5453492392838645
Energy: 0.7302235708593923
Energy: 0.5453492392821933
Energy: 0.6174738084744582
Energy: 0.5165560414894058
Energy: 0.6100844525488671
Energy: 0.5165560414910769
Energy: 0.6155676357056181
Energy: 0.5169750084972963
Energy: 0.5218981367497011
Energy: 0.5169750084984104
Energy: 0.7213749558140359
Energy: 0.5154702817581989
Energy: 0.5159832512875406
Energy: 0.5154702817537679
Energy: 0.6989259904281347
Energy: 0.5167843138647116
Energy: 0.5192195154029425
Energy: 0.516784313870282

minimum gb energy = 0.5130951818603389 eV
minimum distance =  2.60561854825434 Angstroms
sigma value = 37


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

Energy: 0.9375272815302749
Energy: 0.47840144260194994
Energy: 0.4848621783131605
Energy: 0.48527386024900426
Energy: 0.7205824410827525
Energy: 0.4845570544402679
Energy: 0.6526274875656772
Energy: 0.4845570544402679
Energy: 0.7207798344091354
Energy: 0.5397516154091981
Energy: 0.6494039956044042
Energy: 0.5397516154091981
Energy: 0.7220382426597562
Energy: 0.5408300751618164
Energy: 0.6468015129726883
Energy: 0.540830075160858
Energy: 0.6307205249164011
Energy: 0.47637266006946094
Energy: 0.7255168622664118
Energy: 0.47637266006946094
Energy: 0.567170399986705
Energy: 0.4762012160095766
Energy: 0.7326228532156626
Energy: 0.4762012160095766
Energy: 0.5640504950217156
Energy: 0.4756607969335264
Energy: 0.7908190540613834
Energy: 0.475660796932568
Energy: 0.5635969343226491
Energy: 0.47075442856791017
Energy: 0.7233699953256939
Energy: 0.470754428565035
Energy: 0.5555207330785381
Energy: 0.4726258076190125
Energy: 0.724322934975372
Energy: 0.4726258076180542
Energy: 0.5551347680768607
Energy: 0.4685567926311863
Energy: 0.7901823844871357
Energy: 0.46855679263022804
Energy: 0.5809307044926274
Energy: 0.5807708818009202
Energy: 0.8335956919295863
Energy: 0.5807708818018785
Energy: 0.7169125207996128
Energy: 0.46850116467911923
Energy: 0.7900701482603003
Energy: 0.46850116467911923
Energy: 0.7162605768935892
Energy: 0.5232363787695916
Energy: 0.7206267070082532
Energy: 0.5232363787695916
Energy: 0.7163750509308867
Energy: 0.5236956514484952
Energy: 0.7218278616251399
Energy: 0.5236956514484952
Energy: 0.7255168622673702
Energy: 0.5329960012483606
Energy: 0.6361051849517105
Energy: 0.5329960012483606
Energy: 0.7326228532156626
Energy: 0.5320221827316494
Energy: 0.5674358188830654
Energy: 0.5320221827316494
Energy: 0.7940041172368353
Energy: 0.5318584347412099
Energy: 0.5640799322773582
Energy: 0.5318584347402515
Energy: 0.7233699962137113
Energy: 0.48376822728679864
Energy: 0.4906105796451032
Energy: 0.4837682272848819
Energy: 0.724322934975372
Energy: 0.4861783764120571
Energy: 0.48375813093652886
Energy: 0.4861783764120571
Energy: 0.7926808881362414
Energy: 0.4846146304244263
Energy: 0.4899194153486427
Energy: 0.4846146304234679

minimum gb energy = 0.46850116467911923 eV
minimum distance =  2.60589673028635 Angstroms
sigma value = 25


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

Energy: 1.0807024610263216
Energy: 0.4281898602510002
Energy: 0.6037715491848171
Energy: 0.42734816532872894
Energy: 0.7401566820981739
Energy: 0.425861600700812
Energy: 0.5621549915687923
Energy: 0.42586160070156037
Energy: 0.8481278068532285
Energy: 0.42533725374675824
Energy: 0.5599163200406616
Energy: 0.4253372537460099
Energy: 0.7479873745338721
Energy: 0.4284253624405548
Energy: 0.5592578265382057
Energy: 0.42842536244803847
Energy: 0.7983255668492308
Energy: 0.4704973334825951
Energy: 0.7961896732253714
Energy: 0.47049733348184675
Energy: 0.739892013136625
Energy: 0.46939305799705017
Energy: 0.7989140932429891
Energy: 0.4693930579977986
Energy: 0.7426757350006953
Energy: 0.42200658393595436
Energy: 0.793290033541361
Energy: 0.42200658393819945
Energy: 0.5460359033130766
Energy: 0.4212958452999603
Energy: 0.8439039013539034
Energy: 0.4212958452962185
Energy: 0.558503559211554
Energy: 0.422200049044787
Energy: 0.6848973771776374
Energy: 0.42220004904628367
Energy: 0.5499983468407493
Energy: 0.4229073870058488
Energy: 0.8966272325213626
Energy: 0.4229073870065972
Energy: 0.488360102752127
Energy: 0.4227616471015817
Energy: 0.9204378581752645
Energy: 0.42276164709035624
Energy: 0.4893336892099427
Energy: 0.4229875993755143
Energy: 0.896681708100626
Energy: 0.4229875993762626
Energy: 0.489778936743186
Energy: 0.4193488775755275
Energy: 0.6870803548446196
Energy: 0.4193488775755275
Energy: 0.4981601341267921
Energy: 0.41780906317313793
Energy: 0.8938485979059075
Energy: 0.4178090631746347
Energy: 0.6232930558452663
Energy: 0.4178764293738083
Energy: 0.9007100383090381
Energy: 0.41787642937306
Energy: 0.6204768398489507
Energy: 0.4187282424687183
Energy: 0.8492514304379523
Energy: 0.4187282424679699
Energy: 0.6843619781425717
Energy: 0.4192902449984723
Energy: 0.850796578652226
Energy: 0.41929024499474743
Energy: 0.624614789527384
Energy: 0.46896397996077793
Energy: 0.6892701209393012
Energy: 0.46896397996002964
Energy: 0.7859760003068665
Energy: 0.4671506280055139
Energy: 0.7420491017548022
Energy: 0.4671506280062623
Energy: 0.9090296068979172
Energy: 0.46665401583447397
Energy: 0.7405600072135503
Energy: 0.4666540158352224
Energy: 0.9214029174379607
Energy: 0.42762774597201847
Energy: 0.5613897383834503
Energy: 0.4276277459712701
Energy: 0.9087876248933209
Energy: 0.42492167820050325
Energy: 0.48836500250610343
Energy: 0.42492167819975496
Energy: 0.8513014920058088
Energy: 0.4269886973368058
Energy: 0.556461673072002
Energy: 0.4269886973345607
Energy: 0.8432847475218486
Energy: 0.43144511089757576
Energy: 0.430119797998912
Energy: 0.43144511089832416
Energy: 0.9064829504317186
Energy: 0.4253543022336484
Energy: 0.4263093309220434
Energy: 0.4253543022336484
Energy: 0.8471170115286066
Energy: 0.42586675432737403
Energy: 0.42921709742520525
Energy: 0.42586675432438054

minimum gb energy = 0.41780906317313793 eV
minimum distance =  2.60594277997803 Angstroms
sigma value = 41


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

Energy: 1.1009260600344903
Energy: 0.3878540440013056
Energy: 0.5675923724139258
Energy: 0.383301816390344
Energy: 0.8362321793637016
Energy: 0.38113734156152934
Energy: 0.49162696946439893
Energy: 0.38113734156152934
Energy: 0.9698119204907093
Energy: 0.3806964912581547
Energy: 0.4956740163833012
Energy: 0.38069649126122235
Energy: 0.7868715774273746
Energy: 0.38451494827705185
Energy: 0.6101836062014475
Energy: 0.38451494827889243
Energy: 0.7941548549506922
Energy: 0.37971614226779277
Energy: 0.7001138982747364
Energy: 0.37971614226901984
Energy: 0.7899887818788092
Energy: 0.3806501664648602
Energy: 0.6976394933617553
Energy: 0.38065016654704587
Energy: 0.79342478788031
Energy: 0.4186630548793512
Energy: 0.7932506500614902
Energy: 0.4186630548781241
Energy: 0.7025598753935061
Energy: 0.41846951327177623
Energy: 0.698704490949555
Energy: 0.4184695132674815
Energy: 0.6047545795288908
Energy: 0.5082976615040316
Energy: 0.8798151443899234
Energy: 0.5082976615034179
Energy: 0.604704060813182
Energy: 0.37983213089179974
Energy: 0.7955887638227449
Energy: 0.37983213089179974
Energy: 0.49816053363516644
Energy: 0.38363616389548333
Energy: 0.970483458892808
Energy: 0.3836361638948699
Energy: 0.4925644179290722
Energy: 0.3799156634232956
Energy: 0.8781763909477986
Energy: 0.37991566342268207
Energy: 0.4915833800596259
Energy: 0.38186057120531663
Energy: 0.876786561275247
Energy: 0.3818605712071572
Energy: 0.3867200267654878
Energy: 0.38265340991862623
Energy: 0.8759274857848045
Energy: 0.38265340991801267
Energy: 0.381923507346468
Energy: 0.380830004140277
Energy: 0.8790606533943559
Energy: 0.380830004140277
Energy: 0.3848369457376618
Energy: 0.3813509075385745
Energy: 0.9709980454757072
Energy: 0.3813509075385745
Energy: 0.49623377032656046
Energy: 0.3830457198774643
Energy: 0.964035335129665
Energy: 0.38304571987562364
Energy: 0.49087880906484227
Energy: 0.3795237557345606
Energy: 0.9689237438382792
Energy: 0.3795237557357877
Energy: 0.4920515826087967
Energy: 0.3828843151738773
Energy: 0.7917926278467078
Energy: 0.3828843151738773
Energy: 0.6969836976231759
Energy: 0.3813227070834611
Energy: 0.7901313381914562
Energy: 0.38132270708284755
Energy: 0.7213274824682367
Energy: 0.38021115081786644
Energy: 0.8778474928382691
Energy: 0.3802111508141852
Energy: 0.6977499242899591
Energy: 0.5106452020180631
Energy: 0.7942635954904075
Energy: 0.51064520201929
Energy: 0.8803551711484006
Energy: 0.4161103316680208
Energy: 0.7889861281821818
Energy: 0.4161103316649531
Energy: 0.6984303230438195
Energy: 0.5108964055891511
Energy: 0.6970741673202637
Energy: 0.5108964055873104
Energy: 0.8788826226976072
Energy: 0.3820988468947834
Energy: 0.5999469230180453
Energy: 0.3820988468947834
Energy: 0.8804320628624389
Energy: 0.3811230631106888
Energy: 0.6958544334067787
Energy: 0.3811230631106888
Energy: 0.882734733122322
Energy: 0.383272042704245
Energy: 0.4926007239539527
Energy: 0.38327204270547205
Energy: 0.9691160471580496
Energy: 0.3800561543209606
Energy: 0.4898039140901731
Energy: 0.3800561543209606
Energy: 0.8819650237685749
Energy: 0.3826220840541761
Energy: 0.4956657501954377
Energy: 0.3826220840541761
Energy: 0.8805335533254112
Energy: 0.3817259164082052
Energy: 0.38527978556435843
Energy: 0.3817259164075917
Energy: 0.9686615889095866
Energy: 0.3805127501579941
Energy: 0.3811012903265634
Energy: 0.3805127501579941
Energy: 0.964319229450399
Energy: 0.38442422667608495
Energy: 0.386686350129325
Energy: 0.38442422667792553

minimum gb energy = 0.3795237557345606 eV
minimum distance =  2.62398156437423 Angstroms
sigma value = 15


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

Energy: 0.9464805141461098
Energy: 0.3580011959766272
Energy: 0.5429318531150744
Energy: 0.35398228946985266
Energy: 0.8620085272336939
Energy: 0.35165178094892807
Energy: 0.4521348356014255
Energy: 0.3516517809494479
Energy: 1.0192628465481057
Energy: 0.35098587459776587
Energy: 0.4481839400311126
Energy: 0.3509858746008844
Energy: 0.8696690587949181
Energy: 0.3533605548551317
Energy: 0.6289179333309446
Energy: 0.3533605548551317
Energy: 0.8665343161850487
Energy: 0.34939171534822133
Energy: 0.6249029339255413
Energy: 0.34939171534614233
Energy: 0.8650036866842589
Energy: 0.34989323972510533
Energy: 0.6233907554879421
Energy: 0.3498932397240658
Energy: 0.7066284280061602
Energy: 0.3525752256699133
Energy: 0.784771237408954
Energy: 0.3525752256678343
Energy: 0.7875132480935161
Energy: 0.3836044101754253
Energy: 0.6224023967783232
Energy: 0.3836044101754253
Energy: 0.7058406727592106
Energy: 0.3808010941105664
Energy: 0.7834288403513865
Energy: 0.3808010941100466
Energy: 0.7045518259640271
Energy: 0.3814050855073385
Energy: 0.8691072066638508
Energy: 0.38140508550422
Energy: 0.6279915768034648
Energy: 0.3524618706163726
Energy: 0.840186474499812
Energy: 0.3524618706153331
Energy: 0.5377092326081155
Energy: 0.3494414573377428
Energy: 0.9394813788683702
Energy: 0.3494414573377428
Energy: 0.622962879578311
Energy: 0.3501841984342394
Energy: 0.9408466601363493
Energy: 0.3501841984357986
Energy: 0.45105385013466676
Energy: 0.35358037420640853
Energy: 0.7885405705669591
Energy: 0.3535803742069283
Energy: 0.4428244996648554
Energy: 0.3498281992025312
Energy: 1.0176035593348103
Energy: 0.349828199203051
Energy: 0.4491960232642802
Energy: 0.3528416275772148
Energy: 0.9426169558750693
Energy: 0.3528416275772148
Energy: 0.35634260904328957
Energy: 0.3526650504099446
Energy: 0.945355242417142
Energy: 0.3526650504089051
Energy: 0.3501302529402478
Energy: 0.3502264843345318
Energy: 1.0168355467507701
Energy: 0.3502264843350515
Energy: 0.3577651494407778
Energy: 0.35219908747969014
Energy: 0.8666274891354863
Energy: 0.35219908747969014
Energy: 0.44948814582976
Energy: 0.3517439247932538
Energy: 1.0212709437052894
Energy: 0.3517439247942933
Energy: 0.44175072765702916
Energy: 0.3499397536023163
Energy: 0.9390666245054389
Energy: 0.3499397536028361
Energy: 0.4512959718059112
Energy: 0.3530199205556217
Energy: 0.8690181675788561
Energy: 0.3530199205566612
Energy: 0.6228307833436929
Energy: 0.3503255760229929
Energy: 0.8632314571946835
Energy: 0.3503255760229929
Energy: 0.6218501874918115
Energy: 0.34949784018521063
Energy: 0.9403474699932165
Energy: 0.34949784018521063
Energy: 0.627682111362127
Energy: 0.35226461791768593
Energy: 0.7334087175033881
Energy: 0.35226461791560687
Energy: 0.785536782119336
Energy: 0.47049412010011055
Energy: 0.8694482261038443
Energy: 0.470494120099071
Energy: 0.6238635414203649
Energy: 0.38090997940632776
Energy: 0.7842235275342886
Energy: 0.380909979407887
Energy: 0.787912042972568
Energy: 0.38355850049686996
Energy: 0.710025669326719
Energy: 0.3835585004958304
Energy: 0.7871345081174499
Energy: 0.3522012605846725
Energy: 0.7848151055293089
Energy: 0.3522012606091007
Energy: 0.7848155316400323
Energy: 0.35013875246815157
Energy: 0.622868808002844
Energy: 0.35013875246971077
Energy: 0.8648656852327566
Energy: 0.34957337840367214
Energy: 0.5372670684354707
Energy: 0.3495733784052314
Energy: 0.7896626903170311
Energy: 0.35428528340021953
Energy: 0.6276687946961572
Energy: 0.3542852833929431
Energy: 0.9415259455668813
Energy: 0.35137276784873833
Energy: 0.44695742215213624
Energy: 0.351372767849258
Energy: 0.9386526631862074
Energy: 0.35119573329829634
Energy: 0.4489293203650124
Energy: 0.35119573329777654
Energy: 0.9374998303272084
Energy: 0.35392987007338145
Energy: 0.359974640028713
Energy: 0.35392987007182225
Energy: 0.9386505249579937
Energy: 0.35171759744117387
Energy: 0.354611680815552
Energy: 0.3517175974401343
Energy: 1.0172525179932792
Energy: 0.35227095291940214
Energy: 0.35221387622309563
Energy: 0.35227095292044164

minimum gb energy = 0.34939171534614233 eV
minimum distance =  2.62164733481436 Angstroms
sigma value = 85


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

Energy: 1.0635033919394428
Energy: 0.3288696146163325
Energy: 0.31810885106803893
Energy: 0.3172023736110618
Energy: 0.9412760455329658
Energy: 0.31796049449976355
Energy: 0.4031415517340559
Energy: 0.3179604945020175
Energy: 0.9421789554414054
Energy: 0.3176783952259302
Energy: 0.40281888104540575
Energy: 0.31767839522638097
Energy: 0.8014109678215905
Energy: 0.31803311678567386
Energy: 0.557738933370951
Energy: 0.3180331167816373
Energy: 0.9120784085237474
Energy: 0.31670272783696013
Energy: 0.5573463006265327
Energy: 0.31670272783380465
Energy: 0.8050295804070434
Energy: 0.31717007857905155
Energy: 0.5584978671653968
Energy: 0.3171700785786008
Energy: 0.8025977265986297
Energy: 0.31745607399278436
Energy: 0.7022133743690235
Energy: 0.31745607399413667
Energy: 0.8405479136242522
Energy: 0.3167366009149508
Energy: 0.5937095620689876
Energy: 0.3167366009149508
Energy: 0.8039869285464677
Energy: 0.3174099848742556
Energy: 0.7001953591727132
Energy: 0.3174099848738048
Energy: 0.8039384955698964
Energy: 0.37129504382290196
Energy: 0.8391736208529802
Energy: 0.37129504382515593
Energy: 0.7008842193799332
Energy: 0.3172668587490824
Energy: 0.7829527094494303
Energy: 0.31726685865400883
Energy: 0.6635115750592945
Energy: 0.31636387675510474
Energy: 0.8390591826265404
Energy: 0.31636387675420313
Energy: 0.7003260461132722
Energy: 0.31638922840174594
Energy: 0.8737489781906252
Energy: 0.3163892284003937
Energy: 0.5572773383448751
Energy: 0.3183435971407015
Energy: 0.7319932055208144
Energy: 0.3183435971407015
Energy: 0.5179983416759157
Energy: 0.3163104934665315
Energy: 0.9748858374349595
Energy: 0.31631049346608076
Energy: 0.5596443830031511
Energy: 0.31783127069933476
Energy: 0.8748480406263623
Energy: 0.3178312707015886
Energy: 0.3978698603747025
Energy: 0.3167250719571624
Energy: 0.8713891229025096
Energy: 0.31672507195490845
Energy: 0.39918035106614297
Energy: 0.31677402482898964
Energy: 1.0096140400389606
Energy: 0.31677402482763733
Energy: 0.39515179348028845
Energy: 0.31686587387631654
Energy: 1.006236678299651
Energy: 0.3168658738745134
Energy: 0.35792805342687756
Energy: 0.3167513546203795
Energy: 1.0062802716022123
Energy: 0.3167513546203795
Energy: 0.35582659593085086
Energy: 0.3149807642841844
Energy: 0.9091919464190109
Energy: 0.3149807642846352
Energy: 0.3574932752021071
Energy: 0.31837363944931313
Energy: 0.9054843559222339
Energy: 0.31837363944525615
Energy: 0.44455828416005344
Energy: 0.31764165293856866
Energy: 1.0404982445835191
Energy: 0.31764165293856866
Energy: 0.4377917313458822
Energy: 0.3163758831734587
Energy: 1.0420800892978896
Energy: 0.31637588317706494
Energy: 0.44135469731090093
Energy: 0.31652626489321234
Energy: 0.8015330166735276
Energy: 0.31652626489321234
Energy: 0.5555227961834142
Energy: 0.31642501517089844
Energy: 0.9119022959201655
Energy: 0.3164250151713492
Energy: 0.5553634492804906
Energy: 0.3163018515705227
Energy: 0.9420787817768099
Energy: 0.31630185157951785
Energy: 0.5515964837940797
Energy: 0.31663041830140176
Energy: 0.8026796591088387
Energy: 0.31663041829285743
Energy: 0.7006770006408394
Energy: 0.3161533763754778
Energy: 0.9074056745536216
Energy: 0.3161533762646475
Energy: 0.7011807457967926
Energy: 0.31613361582340094
Energy: 0.8046617000147779
Energy: 0.3161336158215978
Energy: 0.7763571914939875
Energy: 0.3708112030295811
Energy: 0.662079026735427
Energy: 0.37081120301380377
Energy: 0.733302810168525
Energy: 0.37082218971137765
Energy: 0.8108217156894918
Energy: 0.37082218971227915
Energy: 0.8411828922110125
Energy: 0.41239285489639654
Energy: 0.6642774848191433
Energy: 0.4123928548990808
Energy: 0.9122989051150691
Energy: 0.3177526884524314
Energy: 0.6652990660787177
Energy: 0.3177526884524314
Energy: 0.7321712285630603
Energy: 0.3184991424073732
Energy: 0.5574967240406533
Energy: 0.31849914240872557
Energy: 0.9772306892983305
Energy: 0.3166646776990237
Energy: 0.5568125790290218
Energy: 0.31666467769947443
Energy: 1.0076128318474649
Energy: 0.31723100919842107
Energy: 0.5577032397234789
Energy: 0.31723100919706876
Energy: 0.8714602100011087
Energy: 0.3170237470851916
Energy: 0.40083506344297004
Energy: 0.31702374708564235
Energy: 0.976838352229122
Energy: 0.3167459931798658
Energy: 0.39830530351011584
Energy: 0.3167459931807673
Energy: 1.0063144679745764
Energy: 0.3171657026409666
Energy: 0.40386841979862687
Energy: 0.3171657026396142
Energy: 0.8705373195113008
Energy: 0.31792486294171024
Energy: 0.3170415206778252
Energy: 0.3179248629412595
Energy: 1.0438642011128303
Energy: 0.3168093116113005
Energy: 0.31726367127650956
Energy: 0.31680931161084974
Energy: 0.9391580242023305
Energy: 0.3197195316059223
Energy: 0.31693207286000724
Energy: 0.31971953160547156

minimum gb energy = 0.3149807642841844 eV
minimum distance =  2.62243153957105 Angstroms
sigma value = 113


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

Energy: 0.009717989284980839
Energy: 0.010191420573261346
Energy: 0.8042753847784654
Energy: 0.2761327569492864
Energy: 0.011711309546492485
Energy: 0.070893884356249
Energy: 0.5933791824629522
Energy: 0.07089388435557518
Energy: 0.010113304226905769
Energy: 0.07028433907565881
Energy: 0.5927448427154052
Energy: 0.07028433907633264
Energy: 0.010919155100080123
Energy: 0.07167201934520065
Energy: 0.5918593135154568
Energy: 0.07167201934587447
Energy: 0.5935176436532144
Energy: 0.07172585505336
Energy: 0.5934647406824675
Energy: 0.07172585505303272
Energy: 0.010225032960983971
Energy: 0.07009188340420022
Energy: 0.5925078379938615
Energy: 0.07009188340385368

minimum gb energy = 0.009717989284980839 eV
minimum distance =  2.85683979154933 Angstroms
sigma value = 1