Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Al__MO_140175748626_004
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=4.032988503575325
cohesive_energy=2.9236454478732066
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=[1.5339527485710118e-19, 2.0736331303208398e-19, 2.476965076164e-19, 2.80163014927776e-19, 3.0726543486852e-19, 3.30372026284068e-19, 3.5033514714370797e-19, 3.6772837668241203e-19, 3.8296667864838596e-19, 3.9634966007218794e-19, 4.0814168009842795e-19, 4.18506160743774e-19, 4.27590502258554e-19, 4.3552127659685395e-19, 4.424010230632499e-19, 4.48316259195978e-19, 4.53353502533274e-19, 4.5757363578723e-19, 4.610263264335e-19, 4.63764446301006e-19, 4.658344585121339e-19, 4.67270008776198e-19, 4.68109549332414e-19, 4.68383521536828e-19, 4.6809993627261e-19, 4.671626629417199e-19, 4.654547426498759e-19, 4.628399903831879e-19, 4.591581884782559e-19, 4.542042583259279e-19, 4.47741077784372e-19, 4.394978790024419e-19, 4.2910295700104993e-19, 4.16130132795552e-19, 4.0004107503692395e-19, 3.8017248259869e-19, 3.55692825807804e-19, 3.25533452849388e-19, 2.88337320114444e-19, 2.42354850718644e-19, 1.85264490719322e-19, 1.139971105563876e-19, 2.4425503220656798e-20, -8.9175549271806e-20, -2.34794179182798e-19, -4.2400002442175997e-19, -6.738819009669359e-19, -1.010491200887166e-18, -1.4752650184675917e-18, -2.1373036297559998e-18, -3.1189892969404794e-18, -4.6540827952749e-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: 0.00905916985071003
Energy: 0.091116650337424
Energy: 0.7983786816087612
Energy: 0.091116650337424
Energy: 0.091116650337424
Energy: 0.8887567445562525
Energy: 0.09111665033841788
Energy: 0.8887567445577363
Energy: 0.7983786816058076
Energy: 0.091116650337424
Energy: 0.00905916985071003
Energy: 0.010357263255114317
Energy: 0.09111665033791395
Energy: 0.8887567445547827
Energy: 0.010357263255114317
Energy: 0.88875674455922

minimum gb energy = 0.00905916985071003 eV
minimum distance =  2.75242295514157 Angstroms
sigma value = 1


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

Energy: 1.4015181340969356
Energy: 0.8133865180217553
Energy: 0.8136574118446365
Energy: 0.8133865180205329
Energy: 0.8120107667469632
Energy: 0.8468930232251124
Energy: 0.8128035355351388
Energy: 0.8468930232269459
Energy: 0.8106188490306709
Energy: 0.8092837994501579
Energy: 0.8128626319335381
Energy: 0.8092837994513802
Energy: 0.8091914599489224
Energy: 0.8222641653325345
Energy: 0.812308310723208
Energy: 0.8222641653331458
Energy: 0.8507156365784919
Energy: 0.8247639083708893
Energy: 0.8118839559180985
Energy: 0.8247639083708893
Energy: 0.8099076917411551
Energy: 0.9163368889336532
Energy: 0.8125606338692133
Energy: 0.9163368889354868
Energy: 0.8099916594364241
Energy: 0.9093190534891276
Energy: 0.850295155285746
Energy: 0.9093190534897387
Energy: 0.8527166458591284
Energy: 0.9490634012031095
Energy: 0.8133746980518175
Energy: 0.9490634012043319
Energy: 0.8141393611017583
Energy: 0.9479953492047627
Energy: 0.8121962463709156
Energy: 0.9479953492041514
Energy: 0.8504641460948601
Energy: 0.9470534693598771
Energy: 0.8512731489805379
Energy: 0.947053469359266
Energy: 0.848483517552096
Energy: 0.9476228659659098
Energy: 0.8120190537880259
Energy: 0.947622865962854
Energy: 0.8501880450877155
Energy: 0.946576024844446
Energy: 0.8132427705308036
Energy: 0.9465760248456684
Energy: 0.8097581942873013
Energy: 0.9081740719641926
Energy: 0.848587773970166
Energy: 0.9081740719623591
Energy: 0.8099278234007818
Energy: 0.9089112290720607
Energy: 0.8490001333021014
Energy: 0.9089112290720607
Energy: 0.8488837110237144
Energy: 0.8143834216570021
Energy: 0.8123000272577522
Energy: 0.814383421659419
Energy: 0.7697878008324512
Energy: 0.823635895478954
Energy: 0.81243058451127
Energy: 0.8236358954807874
Energy: 0.8095425943230384
Energy: 0.8086389860056075
Energy: 0.7694177189257954
Energy: 0.8086389860056075
Energy: 0.8129585517106513
Energy: 0.8155165905739284
Energy: 0.8488437889586831
Energy: 0.8155165905739284
Energy: 0.8126715651865454
Energy: 0.8117056355091292
Energy: 0.8119632055223303
Energy: 0.8117056355079069
Energy: 0.8118373480570511
Energy: 0.8143147029078659
Energy: 0.8104466840852377
Energy: 0.8143147029072547
Energy: 0.8128049803178768
Energy: 0.8118836162322272
Energy: 0.8506194594762823
Energy: 0.8118836162322272
Energy: 0.8128612136001063
Energy: 0.8288646695675944
Energy: 0.8099133544301532
Energy: 0.8288646695712614
Energy: 0.8501181453749749
Energy: 0.9073812493513955
Energy: 0.8095516896377074
Energy: 0.9073812493507845
Energy: 0.8129300989302553
Energy: 0.9066783493031908
Energy: 0.8099902881438258
Energy: 0.9066783493031908
Energy: 0.8113251589356633
Energy: 0.9481600942863957
Energy: 0.8136758418247494
Energy: 0.9481600942870069
Energy: 0.8136013019637497
Energy: 0.946571605529725
Energy: 0.8518675484533759
Energy: 0.9465716055303363
Energy: 0.8152025077480466
Energy: 0.9475506201452055
Energy: 0.8489091653139864
Energy: 0.9475506201445943
Energy: 0.8154658820845191
Energy: 0.9468108061285241
Energy: 0.8500916844806652
Energy: 0.9468108061297464
Energy: 0.8486347946685793
Energy: 0.9176708522599022
Energy: 0.8096806364022839
Energy: 0.9176708522592909
Energy: 0.849243416331363
Energy: 0.9138150529693359
Energy: 0.8105208803239178
Energy: 0.9138150529699469
Energy: 0.8128585908852332
Energy: 0.8143035048672717
Energy: 0.8489654967537337
Energy: 0.8143035048678829
Energy: 0.8123490963705595
Energy: 0.8546648136099606
Energy: 0.7696797477632991
Energy: 0.854664813611794
Energy: 0.7694684175308573
Energy: 0.8086633027801665
Energy: 0.8088906820644214
Energy: 0.8086633027795552

minimum gb energy = 0.7694177189257954 eV
minimum distance =  2.55409873520126 Angstroms
sigma value = 1


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

Energy: 0.9724319617746078
Energy: 0.8729550911485189
Energy: 0.8741247679351326
Energy: 0.8729550911492158
Energy: 0.8717143525453183
Energy: 0.9068039825188547
Energy: 0.8714656377806282
Energy: 0.9068039825195517
Energy: 0.8682274866819357
Energy: 0.8682899471975688
Energy: 0.872977850476311
Energy: 0.8682899472003561
Energy: 0.8675970809873563
Energy: 0.8701759215734632
Energy: 0.8719091990229346
Energy: 0.8701759215748569
Energy: 0.8728900218201655
Energy: 0.8728910561420871
Energy: 0.8718765409898378
Energy: 0.8728910561455713
Energy: 0.867372842344284
Energy: 0.9873917657898965
Energy: 0.8720102864176799
Energy: 0.9873917657947745
Energy: 0.8694940805134612
Energy: 0.9798524308349876
Energy: 0.8737825725303301
Energy: 0.9798524308384718
Energy: 0.8685406042766581
Energy: 0.9740686770541823
Energy: 0.872627355559848
Energy: 0.9740686770493046
Energy: 0.872070034751696
Energy: 1.0159555305572363
Energy: 0.823108258068012
Energy: 1.0159555305565393
Energy: 0.8727586830569147
Energy: 1.0152517807965982
Energy: 0.8718961835079306
Energy: 1.0152517807965982
Energy: 0.911731147202322
Energy: 0.9934434278502555
Energy: 0.8687878001569433
Energy: 0.9934434278474681
Energy: 0.9111308978852464
Energy: 0.9796721395664248
Energy: 0.8678160553620591
Energy: 0.9796721395657281
Energy: 0.8727874763695539
Energy: 0.8734012122780429
Energy: 0.9116802118917007
Energy: 0.8734012122794366
Energy: 0.8717999750457092
Energy: 0.8699229949155743
Energy: 0.8232731209601094
Energy: 0.8699229949148773
Energy: 0.8231854699420513
Energy: 0.8675921452573749
Energy: 0.8687263901469766
Energy: 0.8675921452559814
Energy: 0.9171487534629982
Energy: 0.868399719167386
Energy: 0.8713724520769245
Energy: 0.8683997191680828
Energy: 0.8719763088182677
Energy: 0.8675860132726515
Energy: 0.8731638708912304
Energy: 0.8675860132691674
Energy: 0.8679151152388856
Energy: 0.86754762809222
Energy: 0.8733656165497553
Energy: 0.8675476280915232
Energy: 0.8731206060171323
Energy: 0.8704054305419944
Energy: 0.8721647355088763
Energy: 0.8704054305447819
Energy: 0.8678896446784189
Energy: 0.8705054370391981
Energy: 0.8722481933842081
Energy: 0.870505437035017
Energy: 0.8684992417469082
Energy: 0.9793588894407959
Energy: 0.8732622500260033
Energy: 0.9793588894435833
Energy: 0.868853025205695
Energy: 0.9799449193785001
Energy: 0.8717089311841175
Energy: 0.9799449193764097
Energy: 0.87297736831496
Energy: 1.0159335922803803
Energy: 0.8236128116095061
Energy: 1.0159335922810773
Energy: 0.8722247534510069
Energy: 1.0151477852496875
Energy: 0.8734991516377888
Energy: 1.015147785250384
Energy: 0.9118668466108308
Energy: 0.9932852961069973
Energy: 0.8692565277707158
Energy: 0.9932852961056036
Energy: 0.911723203183618
Energy: 0.9799342553393879
Energy: 0.869141781670981
Energy: 0.9799342553428722
Energy: 0.8735522280366962
Energy: 0.8733118106876885
Energy: 0.9119067379943525
Energy: 0.873311810684901
Energy: 0.871999256997023
Energy: 0.8732222458771267
Energy: 0.8231933809626539
Energy: 0.8732222458757332
Energy: 0.8230435664784225
Energy: 0.8673127748549081
Energy: 0.8674646438537855
Energy: 0.8673127748549081

minimum gb energy = 0.8230435664784225 eV
minimum distance =  2.54895926053051 Angstroms
sigma value = 25


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

Energy: 1.0388713457895038
Energy: 0.9429675588473952
Energy: 0.9435350408632315
Energy: 0.9429675588473952
Energy: 0.941849164540266
Energy: 0.975863128981262
Energy: 0.9417075588660979
Energy: 0.9758631289820721
Energy: 0.9370828179491413
Energy: 0.9368070918002854
Energy: 0.8991620508781426
Energy: 0.9368070918010956
Energy: 0.9363420385687705
Energy: 0.9379394488276156
Energy: 0.8990871921343788
Energy: 0.9379394488268056
Energy: 0.898588184330657
Energy: 0.9632889568429145
Energy: 0.9421434371878373
Energy: 0.9632889568421044
Energy: 0.8867575603634672
Energy: 1.0182926297920358
Energy: 0.899054603042985
Energy: 1.0182926297920358
Energy: 0.9378086238593953
Energy: 1.088829948336201
Energy: 0.9369137503382682
Energy: 1.0888299483353907
Energy: 0.8880875004078268
Energy: 1.008190424567937
Energy: 0.8989627568161792
Energy: 1.008190424567937
Energy: 0.9361465582884001
Energy: 1.087602969937743
Energy: 0.8854241591336355
Energy: 1.087602969937743
Energy: 0.8886682287085411
Energy: 1.089414342815511
Energy: 0.8997037297304713
Energy: 1.089414342815511
Energy: 0.8847611219972432
Energy: 0.9642042429598345
Energy: 0.9433002474278753
Energy: 0.9642042429598345
Energy: 0.884485531863327
Energy: 0.9430204281829729
Energy: 0.8990740925881782
Energy: 0.9430204281829729
Energy: 0.9363638363738229
Energy: 0.9360317886411509
Energy: 0.8848232507497464
Energy: 0.936031788641961
Energy: 0.9414531078889136
Energy: 0.8877890276682479
Energy: 0.9373126217038942
Energy: 0.8877890276682479
Energy: 0.8991854363547542
Energy: 0.9360934918246286
Energy: 0.9417858606028242
Energy: 0.9360934918254388
Energy: 0.9426862745936067
Energy: 0.8877619564254717
Energy: 0.9367299741282535
Energy: 0.8877619564246616
Energy: 0.942310130381715
Energy: 0.8871331324117924
Energy: 0.8985344748320517
Energy: 0.8871331324109822
Energy: 0.8987342022039572
Energy: 0.9362986471612406
Energy: 0.8882354964008157
Energy: 0.9362986471612406
Energy: 0.9369657543371219
Energy: 1.0906715418026995
Energy: 0.9374337365440409
Energy: 1.0906715418018895
Energy: 0.8999597914047871
Energy: 1.0884756754818483
Energy: 0.9363163994946276
Energy: 1.0884756754810383
Energy: 0.8855874000719839
Energy: 1.0873893061426525
Energy: 0.9370013721182155
Energy: 1.0873893061434627
Energy: 0.8846442435470416
Energy: 1.0881093895580014
Energy: 0.8871769256391672
Energy: 1.0881093895580014
Energy: 0.9426325184368609
Energy: 0.9641029715418237
Energy: 0.8847561625369617
Energy: 0.9641029715410135
Energy: 0.8992454571519634
Energy: 0.9424654462098341
Energy: 0.8845267886367122
Energy: 0.9424654462098341
Energy: 0.8846044957101232
Energy: 0.9358994145449169
Energy: 0.9363199839538188
Energy: 0.9358994145441069

minimum gb energy = 0.884485531863327 eV
minimum distance =  2.54748664951993 Angstroms
sigma value = 9


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

Energy: 1.4184658258937364
Energy: 1.0148412721845044
Energy: 1.02450955437364
Energy: 1.0148412721845044
Energy: 1.0233182093855637
Energy: 1.0531979730953853
Energy: 1.02326988793402
Energy: 1.0531979730963517
Energy: 1.0146256688749813
Energy: 1.01512099901482
Energy: 1.023882916347564
Energy: 1.0151209990138537
Energy: 1.014586440094326
Energy: 1.0530726001378317
Energy: 1.0257111757188784
Energy: 1.0530726001378317
Energy: 1.0237016781938633
Energy: 1.055574414685036
Energy: 1.0253004884137014
Energy: 1.0555744146860024
Energy: 1.0170128642204754
Energy: 1.0168404773912323
Energy: 1.0259534108944912
Energy: 1.0168404773912323
Energy: 1.0768639807186968
Energy: 1.1821366072981132
Energy: 1.025810358357032
Energy: 1.1821366072971469
Energy: 1.0259922006070514
Energy: 1.161370525585004
Energy: 1.0267116843783328
Energy: 1.1613705255840374
Energy: 1.02616145393932
Energy: 1.0278441099172673
Energy: 0.9534980354089454
Energy: 1.0278441099192
Energy: 1.0258323331503527
Energy: 1.0273381878439056
Energy: 0.953292999950654
Energy: 1.0273381878439056
Energy: 0.9529877142421145
Energy: 1.0146096055816778
Energy: 1.0144403948309824
Energy: 1.0146096055826441
Energy: 1.0762416129798154
Energy: 1.0167926542543344
Energy: 1.0231900134990783
Energy: 1.016792654253368
Energy: 1.0235420425937076
Energy: 1.014467464053545
Energy: 1.0239495332064223
Energy: 1.0144674640554776
Energy: 1.0144340461801926
Energy: 1.0165250418660048
Energy: 1.0152099898926124
Energy: 1.016525041864072
Energy: 1.0237820934458273
Energy: 1.0161634499684125
Energy: 1.0257577487132938
Energy: 1.0161634499693788
Energy: 1.0167703096801983
Energy: 1.085181868935058
Energy: 1.0253835316074345
Energy: 1.0851818689360246
Energy: 1.076553037299795
Energy: 1.1838273782418909
Energy: 1.0257286427966086
Energy: 1.1838273782418909
Energy: 1.0765334227457484
Energy: 1.1845238695470162
Energy: 1.025788878070705
Energy: 1.1845238695470162
Energy: 1.0263395884951148
Energy: 1.0282068734435705
Energy: 0.9533663462960283
Energy: 1.0282068734445369
Energy: 1.02598988250404
Energy: 1.0272326109838823
Energy: 0.9533337951117715
Energy: 1.027232610988714
Energy: 0.9526102446303467
Energy: 1.0147410169224025
Energy: 1.013980445409276
Energy: 1.0147410169233688

minimum gb energy = 0.9526102446303467 eV
minimum distance =  2.54535258942239 Angstroms
sigma value = 25


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

Energy: 1.2759222389962301
Energy: 1.1076011741510559
Energy: 1.1237306609516142
Energy: 1.107601174153446
Energy: 1.1174660617614234
Energy: 1.1061170932891893
Energy: 1.1176011004322746
Energy: 1.1061170932903843
Energy: 1.1090586283983959
Energy: 1.1076829074234964
Energy: 1.1169453367602462
Energy: 1.1076829074234964
Energy: 1.1088913269714196
Energy: 1.106639665788008
Energy: 1.058254405086522
Energy: 1.106639665788008
Energy: 1.0539729399083388
Energy: 1.177527223407323
Energy: 1.0580733702148901
Energy: 1.1775272234085181
Energy: 1.0357470295240787
Energy: 1.1803151863150185
Energy: 1.0566056796567067
Energy: 1.1803151863162133
Energy: 1.032238846100147
Energy: 1.1735551269536681
Energy: 1.058213342462317
Energy: 1.1735551269536681
Energy: 1.0315337523740435
Energy: 1.1723091463853461
Energy: 1.0580869752422375
Energy: 1.1723091463853461
Energy: 1.1070563855608222
Energy: 1.1070203929518279
Energy: 1.1757410317506962
Energy: 1.1070203929518279
Energy: 1.1175632255855228
Energy: 1.107847220346039
Energy: 1.1731774487507085
Energy: 1.107847220346039
Energy: 1.1171028606728828
Energy: 1.107521137604606
Energy: 1.1172702550992253
Energy: 1.107521137605801
Energy: 1.1068128693768835
Energy: 1.1076176576388805
Energy: 1.1075896965253451
Energy: 1.1076176576400756
Energy: 1.057041307086024
Energy: 1.1805528045554878
Energy: 1.0541891622589383
Energy: 1.1805528045566827
Energy: 1.0589910786742809
Energy: 1.1711059260655097
Energy: 1.0368588326880177
Energy: 1.1711059260655097
Energy: 1.0581050268105938
Energy: 1.1716652266349743
Energy: 1.0317656119005085
Energy: 1.1716652266349743
Energy: 1.0574781821421684
Energy: 1.1723526271302187
Energy: 1.0319036558843016
Energy: 1.1723526271314135
Energy: 1.1741479436367757
Energy: 1.106720903025222
Energy: 1.1064086908730175
Energy: 1.106720903025222

minimum gb energy = 1.0315337523740435 eV
minimum distance =  2.5434491008188 Angstroms
sigma value = 17


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

Energy: 1.6730840884405997
Energy: 1.1902386630379755
Energy: 1.2131096447115477
Energy: 1.1902386630366217
Energy: 1.080258845063526
Energy: 1.0795782282188198
Energy: 1.1570800736854585
Energy: 1.0795782282174662
Energy: 1.1016602187753994
Energy: 1.1015351253694163
Energy: 1.2015046643798935
Energy: 1.10153512537077
Energy: 1.101719930647414
Energy: 1.1020103185600925
Energy: 1.100274456687805
Energy: 1.1020103185600925
Energy: 1.101729571664045
Energy: 1.1602414687135345
Energy: 1.0632477314558617
Energy: 1.1602414687128575
Energy: 1.1021037454896594
Energy: 1.1218167756028474
Energy: 1.101430006782723
Energy: 1.1218167756014938
Energy: 1.1357266662803551
Energy: 1.1001032127907986
Energy: 1.1020905743183873
Energy: 1.1001032127914754
Energy: 1.2404366958516444
Energy: 1.0997623942793224
Energy: 1.0817094789034176
Energy: 1.0997623942813526
Energy: 1.203222781127678
Energy: 1.1901288333239195
Energy: 1.1910902909346794
Energy: 1.1901288333239195
Energy: 1.1902412459968126
Energy: 1.1900119320098799
Energy: 1.1568411590105965
Energy: 1.1900119320098799
Energy: 1.0997608351417298
Energy: 1.0651693374621236
Energy: 1.0778598205948808
Energy: 1.0651693374621236
Energy: 1.1903024879308852
Energy: 1.0803725399902648
Energy: 1.0816805331605372
Energy: 1.0803725399902648
Energy: 1.1360506522002407
Energy: 1.0804364562571702
Energy: 1.0811648025656093
Energy: 1.0804364562571702
Energy: 1.1361785661190207
Energy: 1.0804451888947741
Energy: 1.0789907113586648
Energy: 1.080445188895451
Energy: 1.1898100846501218
Energy: 1.1894259394118376
Energy: 1.242445032665113
Energy: 1.189425939409807
Energy: 1.2028798824145746
Energy: 1.189548342084497
Energy: 1.2427347136183946
Energy: 1.189548342084497
Energy: 1.1908448633078847
Energy: 1.100114659790345
Energy: 1.1020026767430542
Energy: 1.1001146597910219
Energy: 1.1908900890544931
Energy: 1.1000556127973176
Energy: 1.0995265163571861
Energy: 1.1000556127973176
Energy: 1.101002310980362
Energy: 1.1601170175132094
Energy: 1.1024217567492305
Energy: 1.1601170175125326
Energy: 1.063966499981239
Energy: 1.1203064838370536
Energy: 1.1022432247621285
Energy: 1.1203064838377306
Energy: 1.1008234304296387
Energy: 1.1011093601160669
Energy: 1.2405632911833209
Energy: 1.1011093601160669
Energy: 1.1020531274565324
Energy: 1.1109987383938036
Energy: 1.1360454205572015
Energy: 1.1109987383938036
Energy: 1.1558369323345945
Energy: 1.1901589621238933
Energy: 1.1558574040301435
Energy: 1.190158962121863
Energy: 1.2022504404480217
Energy: 1.1902368928585714
Energy: 1.1901865002133103
Energy: 1.1902368928585714
Energy: 1.080238794011759
Energy: 1.0800431535391284
Energy: 1.190432683468892
Energy: 1.0800431535384516
Energy: 1.0820601871888738
Energy: 1.080354454854648
Energy: 1.1000702548540842
Energy: 1.0803544548539712
Energy: 1.07742152119909
Energy: 1.0801221001838137
Energy: 1.137595166644834
Energy: 1.0801221001824601
Energy: 1.0811591861780405
Energy: 1.0804032390722695
Energy: 1.1368375651317102
Energy: 1.0804032390743001
Energy: 1.0801769965921115
Energy: 1.0803899996407655
Energy: 1.1359286961460435
Energy: 1.0803899996407655
Energy: 1.2446258711100096
Energy: 1.1903308633396497
Energy: 1.1896525220991143
Energy: 1.1903308633403265

minimum gb energy = 1.0632477314558617 eV
minimum distance =  2.55037536831781 Angstroms
sigma value = 53


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

Energy: 1.5412436177354887
Energy: 1.1593669816690537
Energy: 1.188164849039588
Energy: 1.1593669816690537
Energy: 1.1571359089444917
Energy: 1.11186412080178
Energy: 1.1581839180894569
Energy: 1.1118641208031788
Energy: 1.1583783396531964
Energy: 1.1609548454024483
Energy: 1.1654048725882333
Energy: 1.1609548454021472
Energy: 1.161011928823377
Energy: 1.11430085619563
Energy: 1.1560352849337627
Energy: 1.11430085619563
Energy: 1.1722953257966306
Energy: 1.1127589832977332
Energy: 1.0506139285340863
Energy: 1.1127589832986717
Energy: 1.156479127453056
Energy: 1.115762090640878
Energy: 1.0575217207606418
Energy: 1.1157620906404178
Energy: 1.2541576801681915
Energy: 1.1576711116269736
Energy: 1.158174605998372
Energy: 1.1576711116275933
Energy: 1.2542293826255007
Energy: 1.156389850440198
Energy: 1.1552126994179421
Energy: 1.1563898504386576
Energy: 1.1602411009055318
Energy: 1.1592642599789544
Energy: 1.1681312517413345
Energy: 1.1592642599784764
Energy: 1.1563576615511495
Energy: 1.1573874149916676
Energy: 1.1595608197260172
Energy: 1.157387414993527
Energy: 1.1707503413273737
Energy: 1.1159449951576894
Energy: 1.052385329896872
Energy: 1.1159449951579905
Energy: 1.1597475553997911
Energy: 1.112953616636247
Energy: 1.0476705344285315
Energy: 1.1129536166364065
Energy: 1.254298584523789
Energy: 1.1565502579878058
Energy: 1.1547094535041384
Energy: 1.156550257985628

minimum gb energy = 1.0476705344285315 eV
minimum distance =  2.53795097427038 Angstroms
sigma value = 9


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

Energy: 1.4763391966303068
Energy: 1.2271271124156424
Energy: 1.2794788532361092
Energy: 1.2271271124000709
Energy: 1.1017863219945148
Energy: 1.099800939078822
Energy: 1.2385388983340644
Energy: 1.0998009390799754
Energy: 1.0960081618940887
Energy: 1.0967135491910218
Energy: 1.2257836197514298
Energy: 1.0967135491898683
Energy: 1.0974364232244902
Energy: 1.0986089389661648
Energy: 1.2891551574641096
Energy: 1.0986089389690485
Energy: 1.1002128478904465
Energy: 1.0993996532163965
Energy: 1.2870142162588807
Energy: 1.0993996532158195
Energy: 1.100448852957254
Energy: 1.0999158147719867
Energy: 1.2872730140633564
Energy: 1.0999158147696801
Energy: 1.2529437608774705
Energy: 1.2265503416806691
Energy: 1.2396301780951242
Energy: 1.2265503416812458
Energy: 1.2391113797831272
Energy: 1.2259481371290881
Energy: 1.2266767508186533
Energy: 1.2259481371290881
Energy: 1.1289297366779072
Energy: 1.1898127053989382
Energy: 1.1435750869620356
Energy: 1.189812705399515
Energy: 1.1083058758315887
Energy: 1.1476340568359615
Energy: 1.228452792386306
Energy: 1.1476340568365382
Energy: 1.1260079197945922
Energy: 1.1261390834166978
Energy: 1.2092115309201172
Energy: 1.1261390834161213
Energy: 1.141884851400945
Energy: 1.1282005456040272
Energy: 1.287602550071773
Energy: 1.1282005456051807
Energy: 1.2379253265902026
Energy: 1.1262360060068823
Energy: 1.149191446127538
Energy: 1.1262360060063057
Energy: 1.2490764448877596
Energy: 1.127196541985986
Energy: 1.1278140407105453
Energy: 1.1271965419865626
Energy: 1.2256703887239115
Energy: 1.1296648889138612
Energy: 1.1298845768836419
Energy: 1.1296648889138612
Energy: 1.1633673111404326
Energy: 1.2369587595459035
Energy: 1.1301022332293689
Energy: 1.2369587595470568
Energy: 1.229218776013459
Energy: 1.1852547038720076
Energy: 1.1295104215630007
Energy: 1.1852547038731611
Energy: 1.2258254478289867
Energy: 1.2276316939119067
Energy: 1.2888762013836101
Energy: 1.2276316939130603
Energy: 1.238866054196388
Energy: 1.2557258935743316
Energy: 1.1382816565941893
Energy: 1.2557258935720246
Energy: 1.2257299713087901
Energy: 1.096705119167922
Energy: 1.096270092043346
Energy: 1.0967051191650383
Energy: 1.2898338931836038
Energy: 1.0996219910721592
Energy: 1.100431890688169
Energy: 1.0996219910738894
Energy: 1.2870798301900495
Energy: 1.099264084767413
Energy: 1.0997162557509457
Energy: 1.0992640847656827
Energy: 1.2871595000997094
Energy: 1.1002494875330917
Energy: 1.0998914569277827
Energy: 1.1002494875313613
Energy: 1.240241697964461
Energy: 1.2259633061368294
Energy: 1.2492972893375351
Energy: 1.2259633061374062
Energy: 1.2272246805197178
Energy: 1.2258528251283853
Energy: 1.239450821284215
Energy: 1.2258528251289618
Energy: 1.1411073326202283
Energy: 1.190779538040188
Energy: 1.127788922214028
Energy: 1.190779538040188
Energy: 1.2264746058595737
Energy: 1.1473401780327455
Energy: 1.1083192001442932
Energy: 1.1473401780310153
Energy: 1.2090241378074031
Energy: 1.1264200746438322
Energy: 1.1266616147820316
Energy: 1.1264200746432556
Energy: 1.2875390425972222
Energy: 1.1290245201575844
Energy: 1.1309921671781988
Energy: 1.1290245201592883
Energy: 1.1500819140005536
Energy: 1.1264804351615874
Energy: 1.2381416166483967
Energy: 1.1264804351604338
Energy: 1.1294414600678861
Energy: 1.1278382296284444
Energy: 1.2263807830118192
Energy: 1.1278382296278675
Energy: 1.1292440424453511
Energy: 1.1302701315458825
Energy: 1.2261051071633866
Energy: 1.130270131544729
Energy: 1.1311924510409275
Energy: 1.2524377068878079
Energy: 1.1628976012194356
Energy: 1.2524377068883845
Energy: 1.1281986863039237
Energy: 1.1870039857473613
Energy: 1.1670441471845605
Energy: 1.1870039857462078
Energy: 1.2888862943360302
Energy: 1.2271431077471961
Energy: 1.2313935871782244
Energy: 1.2271431077460428

minimum gb energy = 1.0960081618940887 eV
minimum distance =  2.52490348956862 Angstroms
sigma value = 73


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

Energy: 1.6359430623075941
Energy: 1.1811691333407104
Energy: 1.1831352394620165
Energy: 1.1811691333425403
Energy: 1.1119438872451062
Energy: 1.1079277979077036
Energy: 1.273673145611326
Energy: 1.1079277979095339
Energy: 1.1038664076635327
Energy: 1.1041724496296677
Energy: 1.2143964900531612
Energy: 1.1041724496314977
Energy: 1.105060498495513
Energy: 1.1053863073840011
Energy: 1.2725693727897998
Energy: 1.1053863073858312
Energy: 1.107491159832793
Energy: 1.1078622745138185
Energy: 1.3103212393055563
Energy: 1.1078622745147333
Energy: 1.153061787416082
Energy: 1.1080540994416372
Energy: 1.2643072326341809
Energy: 1.1080540994407222
Energy: 1.2660716746724872
Energy: 1.2189508981474133
Energy: 1.233569582887656
Energy: 1.2189508981474133
Energy: 1.1800543190458013
Energy: 1.2170722969000114
Energy: 1.2169999672814662
Energy: 1.2170722969009264
Energy: 1.1664924550909062
Energy: 1.2175416180533607
Energy: 1.2183139920611024
Energy: 1.2175416180533607
Energy: 1.1250476968409409
Energy: 1.0852955114047886
Energy: 1.2196597983407762
Energy: 1.0852955114075336
Energy: 1.1669153581892953
Energy: 1.0822552420610139
Energy: 1.2187803448191667
Energy: 1.0822552420610139
Energy: 1.1514438073851223
Energy: 1.0867593876035946
Energy: 1.2661491957804778
Energy: 1.0867593876026798
Energy: 1.2147299980258603
Energy: 1.1555496191777133
Energy: 1.1427659392913732
Energy: 1.1555496191767982
Energy: 1.2147369271884116
Energy: 1.1357734341941719
Energy: 1.1339115068110461
Energy: 1.1357734341950867
Energy: 1.2426744102876774
Energy: 1.1345253468945395
Energy: 1.1340107419894283
Energy: 1.1345253468945395
Energy: 1.2639833555940954
Energy: 1.135178867701051
Energy: 1.1341321466417176
Energy: 1.1351788677019659
Energy: 1.2540710279630407
Energy: 1.141294828304717
Energy: 1.1346223906599997
Energy: 1.1412948283028868
Energy: 1.203761261583632
Energy: 1.1882945982664008
Energy: 1.26637427109507
Energy: 1.1882945982664008
Energy: 1.1878905369319088
Energy: 1.1885682730045233
Energy: 1.1911905190488103
Energy: 1.1885682730045233
Energy: 1.188213267220197
Energy: 1.1805285144308377
Energy: 1.1820505044211014
Energy: 1.1805285144308377
Energy: 1.1876494697624347
Energy: 1.1813793487928061
Energy: 1.1240079648729098
Energy: 1.1813793487928061
Energy: 1.255996484249028
Energy: 1.1809546437659195
Energy: 1.1816872823697724
Energy: 1.1809546437686644

minimum gb energy = 1.0822552420610139 eV
minimum distance =  2.51114923578076 Angstroms
sigma value = 7


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

Energy: 1.3020792971608581
Energy: 1.17557513851442
Energy: 1.1744034723200507
Energy: 1.1755751385079498
Energy: 1.1045475360699597
Energy: 1.1740522820343389
Energy: 1.1888327906841722
Energy: 1.1740522820343389
Energy: 1.1043776525709696
Energy: 1.104114677812347
Energy: 1.2039209057899474
Energy: 1.1041146778155817
Energy: 1.106223385246406
Energy: 1.1064695040946524
Energy: 1.3067429969741406
Energy: 1.1064695040946524
Energy: 1.1033923370839966
Energy: 1.1022368559360256
Energy: 1.244527367035294
Energy: 1.1022368559347315
Energy: 1.1509939581902349
Energy: 1.1026501057258236
Energy: 1.2440887473713251
Energy: 1.1026501057258236
Energy: 1.2331194349473225
Energy: 1.1039063126280497
Energy: 1.1197537594712017
Energy: 1.1039063126293436
Energy: 1.1839322138141957
Energy: 1.102143837036105
Energy: 1.1021394226187213
Energy: 1.1021438370341639
Energy: 1.2748490274296271
Energy: 1.1054989528638406
Energy: 1.1189841908555416
Energy: 1.1054989528644876
Energy: 1.2400978055094876
Energy: 1.2678533352911536
Energy: 1.1031852043669883
Energy: 1.267853335287301
Energy: 1.2736922018911647
Energy: 1.2031407339490714
Energy: 1.2650109807407546
Energy: 1.2031407339510123
Energy: 1.208739865035492
Energy: 1.2055396161040561
Energy: 1.2339871315419126
Energy: 1.2055396161040561
Energy: 1.206790941786977
Energy: 1.2064642886735135
Energy: 1.1516337193059412
Energy: 1.2064642886702786
Energy: 1.2041184932295637
Energy: 1.2338605231502466
Energy: 1.1328027791993007
Energy: 1.2338605231508937
Energy: 1.205552685406546
Energy: 1.0998954281914115
Energy: 1.13541606993755
Energy: 1.0998954281855884
Energy: 1.2287734265121422
Energy: 1.1012146305594805
Energy: 1.1679366862569107
Energy: 1.1012146305633626
Energy: 1.29512277226787
Energy: 1.0973832801598558
Energy: 1.1787093648199716
Energy: 1.097383280163091
Energy: 1.132093134605185
Energy: 1.2418296249423721
Energy: 1.2040874667318564
Energy: 1.241829624941078
Energy: 1.138235191692859
Energy: 1.1371173647000312
Energy: 1.215575339490384
Energy: 1.137117364700678
Energy: 1.1316220539803372
Energy: 1.1317058908081294
Energy: 1.261130196171607
Energy: 1.1317058908061886
Energy: 1.2007786598362908
Energy: 1.132057642437792
Energy: 1.2402549324516745
Energy: 1.132057642438439
Energy: 1.236356916676638
Energy: 1.1046284918061955
Energy: 1.1642269369293177
Energy: 1.1046284918049016
Energy: 1.2368329719045967
Energy: 1.1037187641955948
Energy: 1.104975558086671
Energy: 1.1037187641923598
Energy: 1.2626828882687737
Energy: 1.1067609567082024
Energy: 1.1067122431185348
Energy: 1.1067609567023795
Energy: 1.239755508164264
Energy: 1.104847188370073
Energy: 1.105620810959408
Energy: 1.10484718837072
Energy: 1.2791676200089712
Energy: 1.3135597395758134
Energy: 1.1055119988328486
Energy: 1.3135597395751957
Energy: 1.1757617806357301
Energy: 1.1792782192436766
Energy: 1.8247580982183274
Energy: 1.1792782192436766
Energy: 1.1759143347017675
Energy: 1.176059085394377
Energy: 1.1736140102736043
Energy: 1.17605908539373
Energy: 1.1765896270632816
Energy: 1.163996989394452
Energy: 1.1768442829553842
Energy: 1.163996989392511
Energy: 1.175195771624256
Energy: 1.174462742556492
Energy: 1.1328065992876453
Energy: 1.174462742550669
Energy: 1.2619224267977227
Energy: 1.1738099119998961
Energy: 1.1763241086945617
Energy: 1.1738099120018373

minimum gb energy = 1.0973832801598558 eV
minimum distance =  2.50924862639712 Angstroms
sigma value = 29


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

Energy: 1.0679532240790155
Energy: 1.1246459302125795
Energy: 1.0710076815214171
Energy: 1.1246459302260265
Energy: 1.0640452640921716
Energy: 1.1266092965075314
Energy: 1.0694101379022722
Energy: 1.1266092965075314
Energy: 1.0644470679671647
Energy: 1.1332592076477277
Energy: 1.0575943183092458
Energy: 1.1332592076475274
Energy: 1.0551882264179993
Energy: 1.063418524441103
Energy: 1.0628202191966007
Energy: 1.063418524440652
Energy: 1.0628351787299648
Energy: 1.063955518283837
Energy: 1.0559773712744571
Energy: 1.0639555182842628
Energy: 1.0626010642407813
Energy: 1.1290886127144968
Energy: 1.0550224735031994
Energy: 1.1290886127142714
Energy: 1.0593308609307133
Energy: 1.1329148816054022
Energy: 1.0632717600990491
Energy: 1.1329148816058279
Energy: 1.0708981422846207
Energy: 1.065386796107473
Energy: 1.0535420927197279
Energy: 1.065386796107473
Energy: 1.0531069063604919
Energy: 1.0673792652339829
Energy: 1.0680765198064421
Energy: 1.0673792652339829

minimum gb energy = 1.0531069063604919 eV
minimum distance =  2.51174477981218 Angstroms
sigma value = 5


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

Energy: 1.3126057664942146
Energy: 1.0052242473119342
Energy: 1.1809405406539262
Energy: 1.0052242470040427
Energy: 1.1021951528240086
Energy: 1.0010418552625826
Energy: 1.2041395399485317
Energy: 1.001041855264416
Energy: 1.2042010507547662
Energy: 1.0737380463755464
Energy: 1.2074203551203473
Energy: 1.0737380463731017
Energy: 1.118380793262414
Energy: 1.1682865876297983
Energy: 1.200584563131472
Energy: 1.168286587627965
Energy: 1.102318761463199
Energy: 1.0029981319573429
Energy: 1.1180545978206955
Energy: 1.0029981319548982
Energy: 1.0035664482409812
Energy: 1.0027308419302976
Energy: 1.11696308645066
Energy: 1.0027308419296865
Energy: 1.0032921064905689
Energy: 1.0034552117429159
Energy: 1.2009422105940908
Energy: 1.003455211743527
Energy: 1.0023634279471656
Energy: 1.002080572212793
Energy: 1.2854708137627082
Energy: 1.0020805722146264
Energy: 1.181011832505429
Energy: 1.030011941821425
Energy: 1.2895572086591975
Energy: 1.0300119418177582
Energy: 1.2836466221500744
Energy: 0.9888247336878682
Energy: 0.9896994082822685
Energy: 0.9888247336872571
Energy: 1.180102099264621
Energy: 0.9867069836020572
Energy: 0.986482489156112
Energy: 0.9867069836026683
Energy: 1.2916203525723233
Energy: 0.9873708115422467
Energy: 0.9877798607933518
Energy: 0.9873708115379686
Energy: 1.2850582160711803
Energy: 0.9870935802410266
Energy: 1.0019988131766873
Energy: 0.9870935802428601
Energy: 1.0777098159101663
Energy: 1.0375786764941655
Energy: 1.2832084981509486
Energy: 1.0375786764953878
Energy: 1.081471826248877
Energy: 0.9772476603833294
Energy: 1.2918515837206705
Energy: 0.9772476603931082
Energy: 1.0799002316747206
Energy: 0.9752072106279998
Energy: 1.0247721554493674
Energy: 0.9752072106286109
Energy: 1.0755822776852961
Energy: 0.9789128497644947
Energy: 1.022878782693564
Energy: 0.9789128497644947
Energy: 1.2762728784989439
Energy: 0.9750168332269394
Energy: 1.0246716641048947
Energy: 0.975016833225717
Energy: 1.27243612015599
Energy: 1.0493617160015638
Energy: 1.0222612403318703
Energy: 1.0493617159991189
Energy: 1.2730308937646093
Energy: 1.011759011471782
Energy: 1.1185308443737703
Energy: 1.0117590114693373
Energy: 1.1160331456500674
Energy: 1.009982119022601
Energy: 1.0227820598078874
Energy: 1.0099821190177116
Energy: 1.1165712911751413
Energy: 1.0099818673840164
Energy: 1.0106766304307986
Energy: 1.0099818673846277
Energy: 1.3508849966958587
Energy: 1.0098698245287305
Energy: 1.0096240975744657
Energy: 1.0098698245275082
Energy: 1.2854721838017373
Energy: 1.0100901956114334
Energy: 1.0102883999768657
Energy: 1.0100901956114334
Energy: 1.2909810038185119
Energy: 0.9819845358130564
Energy: 1.027029869877812
Energy: 0.9819845358075837
Energy: 0.9818494067768244
Energy: 0.9809610081972803
Energy: 1.2836162963693454
Energy: 0.9809610081972803
Energy: 0.9801652872965534
Energy: 0.9801952344012981
Energy: 1.0267603416796023
Energy: 0.9801952344037428
Energy: 0.9804056575155748
Energy: 0.9802915047575085
Energy: 1.0109368105087215
Energy: 0.9802915047587307
Energy: 0.9826067311274534
Energy: 0.980688030200964
Energy: 1.284904642497466
Energy: 0.9806880302003528
Energy: 1.283440863399501
Energy: 1.0281158332933547
Energy: 1.0274935573877206
Energy: 1.028115833294577
Energy: 1.2835146394031882
Energy: 1.001800616492744
Energy: 1.0020616556268411
Energy: 1.001800616492744
Energy: 1.2013003375374207
Energy: 1.0015998894492835
Energy: 1.0016526140297224
Energy: 1.0015998894529505
Energy: 1.0123768033819625
Energy: 1.0034414593619105
Energy: 1.0044789374683234
Energy: 1.0034414593619105

minimum gb energy = 0.975016833225717 eV
minimum distance =  2.49501540309205 Angstroms
sigma value = 1


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

Energy: 1.5062173937724093
Energy: 0.9449375937709875
Energy: 1.1299686835106686
Energy: 0.9449375938123756
Energy: 0.9455231604965119
Energy: 0.9434990166392795
Energy: 1.2223921158268327
Energy: 0.9434990166418147
Energy: 1.2235942465592502
Energy: 1.036537411755573
Energy: 1.2266339438034866
Energy: 1.0365374117479675
Energy: 0.96854785722619
Energy: 1.0373720973698877
Energy: 1.218287398047473
Energy: 1.037372097368217
Energy: 0.9442887762634797
Energy: 0.9433966708437217
Energy: 1.2233530728614492
Energy: 0.9433966708462568
Energy: 0.9428202733880782
Energy: 0.9436205654359466
Energy: 1.2222486013250873
Energy: 0.9436205654393267
Energy: 0.942178040877722
Energy: 0.9430648260422743
Energy: 1.2189646925458366
Energy: 0.9430648260422743
Energy: 0.9435971587383255
Energy: 0.9441662173603687
Energy: 1.4612810988122449
Energy: 0.9441662173603687
Energy: 1.220354941999008
Energy: 0.9831642170891546
Energy: 0.91978078425244
Energy: 0.9831642170874644
Energy: 1.22721923540656
Energy: 0.944219236147251
Energy: 0.9438251094907895
Energy: 0.944219236147251
Energy: 1.219649360953656
Energy: 0.9429366471209994
Energy: 0.9419618111572674
Energy: 0.9429366471218444
Energy: 1.4618401660250566
Energy: 0.9437094914019104
Energy: 0.94290288557922
Energy: 0.9437094914036004
Energy: 1.4617390696001593
Energy: 0.9434261914803898
Energy: 0.943899628848865
Energy: 0.9434261914803898
Energy: 0.9462151387336026
Energy: 0.943940921232467
Energy: 1.2260465786480006
Energy: 0.9439409212350021
Energy: 0.9697024152188058
Energy: 1.0364283178855087
Energy: 1.2234769696434984
Energy: 1.0364283178871987
Energy: 0.969754932038481
Energy: 0.9435059300160337
Energy: 0.945849557198356
Energy: 0.9435059300134986
Energy: 0.9436942235567393
Energy: 0.943893807788737
Energy: 1.2272924877994869
Energy: 0.9438938077895822
Energy: 0.9429573911207118
Energy: 0.9437914732704051
Energy: 1.2191485098506187
Energy: 0.9437914732704051
Energy: 0.9422718894789998
Energy: 0.943079230111911
Energy: 0.919760595196051
Energy: 0.9430792301110659
Energy: 0.944273393934907
Energy: 0.9449282927635978
Energy: 1.461325423611586
Energy: 0.9449282927619077
Energy: 1.2227901476100922
Energy: 0.9834031763990687
Energy: 1.2185790038282467
Energy: 0.9834031763990687
Energy: 1.2246469869714554
Energy: 0.9438588868330038
Energy: 0.9432842190189406
Energy: 0.9438588868338489
Energy: 0.9460236482055493
Energy: 0.9434397347080525
Energy: 0.94274237023341
Energy: 0.9434397347088976
Energy: 1.4617500662097238
Energy: 0.9435131201333687
Energy: 0.9428616679820068
Energy: 0.9435131201375939

minimum gb energy = 0.919760595196051 eV
minimum distance =  2.50410570329168 Angstroms
sigma value = 17


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

Energy: 1.0104769998064274
Energy: 0.9237278052897197
Energy: 1.1199004098798253
Energy: 0.9237284843303973
Energy: 0.922583703656033
Energy: 0.9215973445166038
Energy: 1.100440201380965
Energy: 0.9215973445166038
Energy: 1.2567593187059158
Energy: 0.920994402986131
Energy: 1.1024515624817568
Energy: 0.9209944029876979
Energy: 1.264824007867218
Energy: 0.9636633507838387
Energy: 1.0965541357494213
Energy: 0.9636633507843609
Energy: 1.0796218908846904
Energy: 0.9031596909932684
Energy: 1.1382934806431524
Energy: 0.9031596909937909
Energy: 0.9032978401267862
Energy: 0.9030849377820211
Energy: 1.1361293291659937
Energy: 0.9030849377830659
Energy: 0.9029824115492903
Energy: 0.9025563991577118
Energy: 0.9397002388152272
Energy: 0.9025563991571895
Energy: 0.903837768375291
Energy: 0.9031475528658467
Energy: 1.0124848490083704
Energy: 0.9031475528642797
Energy: 1.2541645370805001
Energy: 0.9028027697477067
Energy: 1.0993394673509924
Energy: 0.9028027697477067
Energy: 1.1044346776544718
Energy: 0.9637190628155801
Energy: 1.0982268289619554
Energy: 0.9637190628145353
Energy: 1.2509958279607736
Energy: 0.9206087556113717
Energy: 0.937000377761318
Energy: 0.9206087556139833
Energy: 1.134010084080033
Energy: 0.9207084952107446
Energy: 1.0969225013492732
Energy: 0.9207084952123116
Energy: 1.140279377239079
Energy: 0.9205805882603726
Energy: 0.9211559791296968
Energy: 0.920580588260895
Energy: 0.9223560127889376
Energy: 0.9205666131815479
Energy: 0.9210573809706922
Energy: 0.9205666131805033
Energy: 1.2614712774615762
Energy: 0.9219616864954008
Energy: 0.922276385859816
Energy: 0.9219616864938338
Energy: 1.0105476203407906
Energy: 0.9218047591684495
Energy: 0.9228871515981939
Energy: 0.9218047591668826
Energy: 0.9221992026546346
Energy: 0.9215658423422401
Energy: 1.1388912841296783
Energy: 0.9215658423422401
Energy: 0.920584712281076
Energy: 0.9203297560367267
Energy: 1.2539617480751004
Energy: 0.920329756037249
Energy: 0.9215909194350611
Energy: 0.9214984026207061
Energy: 1.0987515468207787
Energy: 0.9214984026191392
Energy: 0.9219661509184994
Energy: 0.9208304000239204
Energy: 1.0086617797888262
Energy: 0.9208304000270542
Energy: 1.1019465171813922
Energy: 0.9213687142311081
Energy: 1.0809915845621236
Energy: 0.9213687142300636
Energy: 1.1031885332478444
Energy: 1.1272157354453698
Energy: 1.2591087501228986
Energy: 1.1272157354464145
Energy: 1.096946946913809
Energy: 0.9635953024312119
Energy: 1.2615628426405034
Energy: 0.9635953024306896
Energy: 1.1406125386820087
Energy: 0.9030406203764593
Energy: 1.0796613211148731
Energy: 0.9030406203790708
Energy: 1.133839623499166
Energy: 0.9029837026056999
Energy: 0.9032350662586884
Energy: 0.9029837026062221
Energy: 1.0958556330665334
Energy: 0.9026428608359836
Energy: 0.9030793226757756
Energy: 0.9026428608359836
Energy: 1.0087985106021302
Energy: 0.9033621127762758
Energy: 0.9042396259183554
Energy: 0.9033621127773205
Energy: 0.9414433789571285
Energy: 0.9029372644595383
Energy: 1.1328836464342618
Energy: 0.9029372644616275
Energy: 1.0993557887605987
Energy: 0.96425117717866
Energy: 1.1028189837894264
Energy: 0.9642511771807492
Energy: 0.9374110179426344
Energy: 0.9206247093168766
Energy: 1.080083409490855
Energy: 0.9206247093132205
Energy: 1.0961174809567014
Energy: 0.9205146988354355
Energy: 1.1365067383580663
Energy: 0.9205146988354355
Energy: 0.9209405181158747
Energy: 0.9204564667769878
Energy: 1.1375239797106624
Energy: 0.9204564667743763
Energy: 0.9205038467331899
Energy: 0.9202290851084322
Energy: 0.9228246833769536
Energy: 0.9202290851094768
Energy: 0.9225549540913828
Energy: 0.9220507724596327
Energy: 1.2631878245580201
Energy: 0.9220507724580658
Energy: 0.9233229402931008
Energy: 0.9451533675469828
Energy: 1.0094560845883938
Energy: 0.9451533675490719
Energy: 1.1348492632819165
Energy: 0.9210934953329053
Energy: 0.9223999433812555
Energy: 0.9210934953355168
Energy: 1.251843374792863
Energy: 0.9200951555681119
Energy: 0.9202102314716162
Energy: 0.9200951555675897
Energy: 1.0997407658854266
Energy: 0.9209818425768368
Energy: 0.921274403947343
Energy: 0.9209818425763147

minimum gb energy = 0.9025563991571895 eV
minimum distance =  2.50285807558656 Angstroms
sigma value = 89


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

Energy: 2.0515378294734883
Energy: 0.836659259639862
Energy: 1.043375801634229
Energy: 0.8366592596190985
Energy: 0.837846480704609
Energy: 0.90841423907305
Energy: 0.8391032016332697
Energy: 0.9084142390726306
Energy: 0.8355137539933581
Energy: 0.9080381098265248
Energy: 0.8387410905096961
Energy: 0.908038109826121
Energy: 0.8330725337737875
Energy: 0.9074769998588756
Energy: 0.8359885103768437
Energy: 0.9074769998583166
Energy: 0.8353719160074813
Energy: 0.8353289537524378
Energy: 0.8356336009754991
Energy: 0.8353289537529813
Energy: 0.8345317495036242
Energy: 0.8353173745180215
Energy: 0.8356936972983853
Energy: 0.835317374517742
Energy: 0.8340599949515339
Energy: 0.8346232334441912
Energy: 0.8367575642665065
Energy: 0.8346232334443309
Energy: 0.8349455889148676
Energy: 0.8354111807207978
Energy: 0.833371209069266
Energy: 0.835411180720658
Energy: 0.8376546146829429
Energy: 0.834360814932796
Energy: 0.8385663972033942
Energy: 0.8343608149330599
Energy: 0.8383235975579902
Energy: 0.9066280216163437
Energy: 0.8379573047084323
Energy: 0.9066280216166076
Energy: 0.8367073369158333
Energy: 0.9062650398151743
Energy: 0.8320664189693413
Energy: 0.906265039815578
Energy: 0.8338692597441403
Energy: 0.8345732115803792
Energy: 0.8367598407958785
Energy: 0.834573211580783
Energy: 0.8352161100388159
Energy: 0.8355336520985027
Energy: 0.8347622790105977
Energy: 0.8355336520979592
Energy: 0.8364807577155312
Energy: 0.8343353640900337
Energy: 0.8337672014621145
Energy: 0.8343353640893503
Energy: 0.8375869100897098
Energy: 0.8355671706717294
Energy: 0.834741362869114
Energy: 0.8355671706716051

minimum gb energy = 0.8320664189693413 eV
minimum distance =  2.52465185219325 Angstroms
sigma value = 13


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

Energy: 0.8897763951493265
Energy: 0.7688092488085895
Energy: 0.9925017542776179
Energy: 0.7688093686908419
Energy: 0.8836888187268783
Energy: 0.7654342160544148
Energy: 0.9663635144946026
Energy: 0.7654342160567059
Energy: 0.8723477539733842
Energy: 0.7651614128830879
Energy: 0.9689750355627357
Energy: 0.7651614128870976
Energy: 1.0659138550293124
Energy: 0.7652444851594329
Energy: 0.9653427459848549
Energy: 0.76524448517318
Energy: 0.8857758415161153
Energy: 0.9103317051322546
Energy: 0.8710962626255556
Energy: 0.9103317051334002
Energy: 0.9632954825925409
Energy: 0.7685583845097418
Energy: 0.868933895610167
Energy: 0.7685583845068779
Energy: 0.9641468926054694
Energy: 0.7673822301302501
Energy: 0.9641411603422962
Energy: 0.7673822301273862
Energy: 0.8838071742975001
Energy: 0.7684148413442539
Energy: 1.0720832225491597
Energy: 0.7684148413591467
Energy: 0.7669756673095621
Energy: 0.7667129031422231
Energy: 0.8826232104298035
Energy: 0.7667129031405308
Energy: 0.76688801801165
Energy: 0.7665811107138157
Energy: 0.9697375644968392
Energy: 0.7665811107103789
Energy: 0.7686416129804817
Energy: 0.7669791668060162
Energy: 0.8841562858364574
Energy: 0.766979166809453
Energy: 0.7704669668392522
Energy: 0.8081172949806522
Energy: 0.9699308446472252
Energy: 0.8081172949789338
Energy: 0.7726947334011115
Energy: 0.922884651712421
Energy: 0.9648789574327353
Energy: 0.9228846517101298
Energy: 0.7720235563783093
Energy: 0.920376929894018
Energy: 1.0661974046604903
Energy: 0.9203769298917268
Energy: 1.070992694017516
Energy: 0.7560641065996635
Energy: 0.964032233771603
Energy: 0.7560641065979451
Energy: 1.0713271666270756
Energy: 0.7558578264669231
Energy: 0.8577794213622746
Energy: 0.7558578264663502
Energy: 0.7707413340321585
Energy: 0.7553937359887585
Energy: 0.8590706004025305
Energy: 0.7553937359876128
Energy: 0.7737822257667116
Energy: 0.7563900275861741
Energy: 0.8575962462712706
Energy: 0.7563900275850285
Energy: 1.1613960148976814
Energy: 0.7556718205352737
Energy: 1.0540083252072814
Energy: 0.7556718205335553
Energy: 0.7703175483315599
Energy: 0.7555527015602467
Energy: 1.0623223032676203
Energy: 0.7555527015619652
Energy: 1.0581590258978115
Energy: 0.7565915308897223
Energy: 1.0537558161010034
Energy: 0.7565915308902951
Energy: 0.7726151892199625
Energy: 0.9054333078486873
Energy: 0.8686972662590778
Energy: 0.9054333078515512
Energy: 0.7702137536903063
Energy: 0.9024171111180792
Energy: 0.871852440533611
Energy: 0.9024171111175064
Energy: 0.8710163687654414
Energy: 0.9121987087832986
Energy: 0.9654195489473791
Energy: 0.9121987087821529
Energy: 0.7702196112823737
Energy: 0.7673096536150646
Energy: 1.0722077464104312
Energy: 0.7673096536156375
Energy: 0.7671650837603591
Energy: 0.7669926027214387
Energy: 1.0721145124091187
Energy: 0.7669926027208659
Energy: 0.7665241305971998
Energy: 0.7664302317137228
Energy: 0.9660405451923336
Energy: 0.766430231710286
Energy: 0.7676890274234076
Energy: 0.7673064978600692
Energy: 0.8846379526532606
Energy: 0.7673064978594963
Energy: 0.885255463866932
Energy: 0.767197422086391
Energy: 1.0782028871824774
Energy: 0.7671974220858182
Energy: 1.0655084598067357
Energy: 0.8072913930655332
Energy: 0.9670055620908115
Energy: 0.8072913930683973
Energy: 0.8856044868549297
Energy: 0.8083960735388529
Energy: 1.0577242597209746
Energy: 0.8083960735308338
Energy: 1.0714783097828218
Energy: 0.7663196689369727
Energy: 0.9665403008658963
Energy: 0.7663196689358271
Energy: 1.071106557421527
Energy: 0.7649040628761223
Energy: 0.7657735929101573
Energy: 0.7649040628698215
Energy: 0.884082449351405
Energy: 0.7643356495204343
Energy: 0.7649108155682846
Energy: 0.7643356495227255
Energy: 1.0730586965994333
Energy: 0.7649137692535312
Energy: 0.7655796890071161
Energy: 0.7649137692506671

minimum gb energy = 0.7553937359876128 eV
minimum distance =  2.52050755531672 Angstroms
sigma value = 37


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

Energy: 1.2166149630301972
Energy: 0.6964050896123857
Energy: 0.6966141939547243
Energy: 0.6964050896123857
Energy: 1.0334657655309514
Energy: 0.6951730190378049
Energy: 0.6971728965720021
Energy: 0.6951730190378049
Energy: 0.8598215299760127
Energy: 0.6952560019422162
Energy: 0.7015062754530144
Energy: 0.6952560019422162
Energy: 0.8646918266401824
Energy: 0.7735269924473976
Energy: 0.700966399397751
Energy: 0.7735269924473976
Energy: 1.0333711397162837
Energy: 0.6823938144797419
Energy: 0.8579141167200534
Energy: 0.6823938144797419
Energy: 0.859380490855476
Energy: 0.6830032806063775
Energy: 0.8588256324663417
Energy: 0.6830032806063775
Energy: 0.8610478726695889
Energy: 0.6840368403123666
Energy: 0.6864918157634253
Energy: 0.684036840311381
Energy: 0.8609084663198012
Energy: 0.6851517184066062
Energy: 0.8645377153115809
Energy: 0.6851517184075916
Energy: 0.8589287230459651
Energy: 0.6821727179734937
Energy: 0.6857857442600973
Energy: 0.6821727179715228
Energy: 0.8584730494543101
Energy: 0.6826053526419232
Energy: 0.6855378166907816
Energy: 0.6826053526419232
Energy: 0.8643795602270552
Energy: 0.8641292121065395
Energy: 1.544615136113136
Energy: 0.864129212105554
Energy: 0.8592321380999481
Energy: 0.6822466766760431
Energy: 0.6851018536628044
Energy: 0.6822466766760431
Energy: 0.8591841879996116
Energy: 0.6819065299246226
Energy: 0.8646189626755177
Energy: 0.6819065299256081
Energy: 0.8620021332904847
Energy: 0.7634855378016933
Energy: 0.8647941832277903
Energy: 0.7634855377997223
Energy: 0.8579141167200534
Energy: 0.7614913857085731
Energy: 0.686142825780181
Energy: 0.7614913857075878
Energy: 0.8588256324653561
Energy: 0.7613908453650119
Energy: 0.8590418399859467
Energy: 0.7613908453650119
Energy: 1.0339276210190882
Energy: 0.7616495635033189
Energy: 0.8610751572663662
Energy: 0.7616495635023335
Energy: 0.8645377153115809
Energy: 0.6966018669070169
Energy: 0.6996253919512749
Energy: 0.6966018669040828
Energy: 0.6857857442600973
Energy: 0.6954354971718166
Energy: 0.6961008138698523
Energy: 0.6954354971718166
Energy: 0.8585815408311003
Energy: 0.6954313085660224
Energy: 0.6956449867722715
Energy: 0.6954313085660224

minimum gb energy = 0.6819065299246226 eV
minimum distance =  2.52258586103569 Angstroms
sigma value = 25


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

Energy: 1.174441050451363
Energy: 0.5897565945625273
Energy: 0.8308346314456536
Energy: 0.5897565946779225
Energy: 1.1325701594907613
Energy: 0.5873478871146598
Energy: 0.858938343043731
Energy: 0.5873478871131207
Energy: 1.1261814091339173
Energy: 0.5875942523328683
Energy: 0.8605907223833592
Energy: 0.5875942523320989
Energy: 1.1351460192583875
Energy: 0.588379320667474
Energy: 0.860771468606069
Energy: 0.588379320667474
Energy: 1.1312339172079844
Energy: 0.6519791600074012
Energy: 1.1320617446004273
Energy: 0.6519791600081707
Energy: 1.129042288662054
Energy: 0.6512162483679536
Energy: 1.1328627541032976
Energy: 0.651216248367184
Energy: 1.132191440994013
Energy: 0.6519569043494016
Energy: 1.1310232554856379
Energy: 0.6519569043524798
Energy: 0.8605702100170417
Energy: 0.5881695117688116
Energy: 1.1308548426050657
Energy: 0.5881695117688116
Energy: 0.8611355018380187
Energy: 0.5879016414328154
Energy: 1.133354731300412
Energy: 0.5879016414343545
Energy: 0.859047145857846
Energy: 0.5873829976948957
Energy: 1.1328226756120954
Energy: 0.5873829976948957
Energy: 0.5904919465886983
Energy: 0.5888071891275455
Energy: 1.5949263704869174
Energy: 0.5888071891275455
Energy: 0.5877022245791385
Energy: 0.5877169094357511
Energy: 1.1327020313346436
Energy: 0.5877169094349814
Energy: 0.5882981594918759
Energy: 0.5881217785311149
Energy: 1.1270379235991206
Energy: 0.5881217785311149
Energy: 0.5895389781809924
Energy: 0.588538698685722
Energy: 1.1269037527143622
Energy: 0.588538698685722
Energy: 0.8614184005623018
Energy: 0.5877978102510147
Energy: 1.1313081601280077
Energy: 0.5877978102517842
Energy: 0.8586959490575053
Energy: 0.5876455166548508
Energy: 1.1263102886864103
Energy: 0.5876455166563899
Energy: 1.131460574732874
Energy: 0.5886374181305345
Energy: 1.1262845338841048
Energy: 0.5886374181313039
Energy: 0.8624616318072948
Energy: 0.6510478565473454
Energy: 1.1303547897830335
Energy: 0.651047856549654
Energy: 1.1348268567270885
Energy: 0.6513748130075079
Energy: 1.130221501088685
Energy: 0.6513748130082774
Energy: 1.1325336977327372
Energy: 0.6514054957273209
Energy: 1.1299626726652288
Energy: 0.6514054957280904
Energy: 1.131460147163538
Energy: 0.5889069276556128
Energy: 0.8606600228734803
Energy: 0.5889069276540737
Energy: 1.1323475362032553
Energy: 0.5873150662439903
Energy: 0.5883782532607033
Energy: 0.5873150662447598
Energy: 1.1326081822460996
Energy: 0.5878469819776048
Energy: 0.8581246315657498
Energy: 0.5878469819768353
Energy: 1.1318099958488217
Energy: 0.5885586331341218
Energy: 0.5895353321723312
Energy: 0.5885586331348914
Energy: 1.1311915688316216
Energy: 0.587891275416576
Energy: 0.5880006822880623
Energy: 0.587891275416576
Energy: 1.127003039262977
Energy: 0.5877436627523104
Energy: 0.5882557356184291
Energy: 0.5877436627523104

minimum gb energy = 0.5873150662439903 eV
minimum distance =  2.53421746943848 Angstroms
sigma value = 41


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

Energy: 1.4361458247526198
Energy: 0.522170617992579
Energy: 0.7705265755531227
Energy: 0.5221706214401192
Energy: 1.4068522244222113
Energy: 0.5206548794750259
Energy: 0.7491308692725028
Energy: 0.5206548794731332
Energy: 1.4015003596344808
Energy: 0.5200928613805959
Energy: 0.7505184193689859
Energy: 0.5200928613812267
Energy: 1.4107317895160365
Energy: 0.5202669149297633
Energy: 0.7534012496410613
Energy: 0.5202669149316561
Energy: 1.4053955501753794
Energy: 0.5194342255836257
Energy: 1.1944776083931472
Energy: 0.5194342255867802
Energy: 1.4056200169314241
Energy: 0.7654628931929581
Energy: 1.1916955882475655
Energy: 0.7654628931961126
Energy: 1.4083760443183406
Energy: 0.5734956198021863
Energy: 1.1969550919311969
Energy: 0.5734956197996628
Energy: 1.19419483640181
Energy: 0.5724299099762298
Energy: 1.196839932095899
Energy: 0.5724299099737062
Energy: 0.978322790264781
Energy: 0.5205796823486978
Energy: 1.4087365392467228
Energy: 0.5205796823480668
Energy: 0.9776958641001258
Energy: 0.5196754804453818
Energy: 1.40679777235767
Energy: 0.51967548044412
Energy: 0.7515818937784543
Energy: 0.5210157328259885
Energy: 1.4035456229348307
Energy: 0.521015732827881
Energy: 0.7513427744946389
Energy: 0.5200379073404796
Energy: 1.40660461289279
Energy: 0.5200379073398489
Energy: 0.7500844350039111
Energy: 0.5206272179781924
Energy: 1.4086914651912859
Energy: 0.5206272179756688
Energy: 0.5220201142592753
Energy: 0.5202293753493304
Energy: 1.403750295438108
Energy: 0.5202293753480687
Energy: 0.5209705387040456
Energy: 0.521101741270195
Energy: 1.4051550717644639
Energy: 0.5211017412720877
Energy: 0.5213998876255391
Energy: 0.5207250164530365
Energy: 1.40117123398396
Energy: 0.5207250164517747
Energy: 0.7502797746770623
Energy: 0.5204760776695425
Energy: 1.4010555341145619
Energy: 0.5204760776708043
Energy: 0.7517859702574812
Energy: 0.5202354945227199
Energy: 1.404761074372193
Energy: 0.5202354945246126
Energy: 0.7500432743020857
Energy: 0.5201127532914603
Energy: 1.407696571767721
Energy: 0.5201127532908294
Energy: 1.1900072777924318
Energy: 0.5206128547940141
Energy: 1.4055811985781874
Energy: 0.5206128547977995
Energy: 1.1987621068041316
Energy: 0.5203866352961368
Energy: 1.4049469857283077
Energy: 0.5203866352936132
Energy: 1.1903804584771425
Energy: 0.5719997070064269
Energy: 1.4096379063682947
Energy: 0.5719997070076888
Energy: 1.4094723365878332
Energy: 0.572149206396969
Energy: 1.4038323466218339
Energy: 0.5721492063975998
Energy: 1.195920304562978
Energy: 0.5727296945897533
Energy: 1.190283297079634
Energy: 0.5727296945840755
Energy: 1.4045969404109988
Energy: 0.5199950376837927
Energy: 0.9825898263217149
Energy: 0.5199950376837927
Energy: 1.4094296548067398
Energy: 0.5202474987219068
Energy: 1.1895649793580914
Energy: 0.5202474987225377
Energy: 1.4037887148250106
Energy: 0.5203353794527326
Energy: 0.7499363450204699
Energy: 0.5203353794539942
Energy: 1.4045504810222529
Energy: 0.5206154072483201
Energy: 0.7521313852398025
Energy: 0.5206154072483201
Energy: 1.4039139017830566
Energy: 0.5202389027008706
Energy: 0.7498706668540965
Energy: 0.5202389027046559
Energy: 1.4044213632258717
Energy: 0.5201366266107853
Energy: 0.521519833865896
Energy: 0.5201366266095234
Energy: 1.4051748198540897
Energy: 0.5208429584423264
Energy: 0.5208572773064009
Energy: 0.5208429584435882
Energy: 1.4009665419813189
Energy: 0.5202536207589169
Energy: 0.5222483574657723
Energy: 0.5202536207614404

minimum gb energy = 0.5194342255836257 eV
minimum distance =  2.53809683350407 Angstroms
sigma value = 15


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

Energy: 1.603865554877224
Energy: 0.4726657399837109
Energy: 0.7267682843333
Energy: 0.47266035655075567
Energy: 1.597401886899128
Energy: 0.4697207159701197
Energy: 0.6668063420543708
Energy: 0.4697207159701197
Energy: 1.6021530067541963
Energy: 0.46976603918682475
Energy: 0.6665996058831881
Energy: 0.46976603918735926
Energy: 1.6028287585468275
Energy: 0.47027691760158474
Energy: 0.8709576292245018
Energy: 0.47027691760318807
Energy: 1.5961220959418858
Energy: 0.4688877652767834
Energy: 1.0511595412195875
Energy: 0.4688877652778523
Energy: 1.5971754044246123
Energy: 0.46902091447421523
Energy: 1.0475545661011034
Energy: 0.4690209144758186
Energy: 1.2352186502005578
Energy: 0.46972318894601917
Energy: 1.2367243699761283
Energy: 0.4697231889449503
Energy: 1.416592167699357
Energy: 0.5164388581473579
Energy: 1.0530087837878077
Energy: 0.5164388581473579
Energy: 1.2345149743430188
Energy: 0.5141869062209641
Energy: 1.4129532798704991
Energy: 0.5141869062214984
Energy: 1.233534360895026
Energy: 0.5138779501540368
Energy: 1.5981391497175332
Energy: 0.5138779501561748
Energy: 1.0523745388917625
Energy: 0.46954664309814176
Energy: 1.4233258856051811
Energy: 0.46954664309814176
Energy: 0.8651272370619717
Energy: 0.46861312669398575
Energy: 1.5979192871252597
Energy: 0.4686131266950546
Energy: 1.0483309169537376
Energy: 0.46902204544091397
Energy: 1.5979356898726398
Energy: 0.469022045439845
Energy: 0.6688879348185977
Energy: 0.47060477916916676
Energy: 1.4197188575026107
Energy: 0.4706047791654256
Energy: 0.6701138394567637
Energy: 0.46934018414243484
Energy: 1.5963068458832073
Energy: 0.4693401841435037
Energy: 0.6686097016302434
Energy: 0.46997016983372386
Energy: 1.5995991520089257
Energy: 0.4699701698358617
Energy: 0.4716646770388661
Energy: 0.470470210004207
Energy: 0.47272954743633283
Energy: 0.47047021000367256
Energy: 0.46991729441762503
Energy: 0.4690975778088576
Energy: 1.59547755621838
Energy: 0.46909757780939204
Energy: 0.47116764017080165
Energy: 0.47031410415641134
Energy: 1.5994556489699314
Energy: 0.47031410415748026
Energy: 0.6683385572377717
Energy: 0.4702171806595047
Energy: 1.6050073113436105
Energy: 0.4702171806595047
Energy: 0.6691009092263723
Energy: 0.4693522462297473
Energy: 1.5957477245185483
Energy: 0.46935224623135063
Energy: 0.6682826136295056
Energy: 0.4704237554815949
Energy: 1.601224777241248
Energy: 0.47042375548052595
Energy: 1.0472982210362962
Energy: 0.46951021011065336
Energy: 1.5953358606043924
Energy: 0.4695102101015676
Energy: 1.0531785132207487
Energy: 0.4688397518313885
Energy: 1.597097129211662
Energy: 0.46883975182980936
Energy: 1.0516672477265716
Energy: 0.4693394030789189
Energy: 1.238653097760878
Energy: 0.4693394030762467
Energy: 1.4159575535501066
Energy: 0.5138119292987213
Energy: 1.5994885267665224
Energy: 0.5138119292960491
Energy: 1.0503453647071113
Energy: 0.5140980747462068
Energy: 1.413700018383339
Energy: 0.5140980747504824
Energy: 1.4154392972788004
Energy: 0.515915148977227
Energy: 1.2403626349068422
Energy: 0.5159151489777616
Energy: 1.4177747329096146
Energy: 0.46948141905290214
Energy: 1.2366202017052716
Energy: 0.4694814190502299
Energy: 1.4154436722174193
Energy: 0.4690095629599028
Energy: 1.0482142987960876
Energy: 0.46900956296150625
Energy: 1.595665292236822
Energy: 0.4687495231927221
Energy: 0.8661567557278937
Energy: 0.4687495231916532
Energy: 1.4190112911974009
Energy: 0.46995846990295964
Energy: 1.0510156822662067
Energy: 0.4699584699040285
Energy: 1.5983626676380918
Energy: 0.47008901210915166
Energy: 0.6671289021432225
Energy: 0.47008901210915166
Energy: 1.5975477659698056
Energy: 0.4693992250053622
Energy: 0.6671064951478762
Energy: 0.46939922500643105
Energy: 0.4721799267300413
Energy: 0.47113444037756963
Energy: 0.47284123781975906
Energy: 0.4711344403759663
Energy: 1.5986568281211346
Energy: 0.4697458466345609
Energy: 0.46993588317236284
Energy: 0.46974584663402646
Energy: 1.6003217885185728
Energy: 0.46949964784993475
Energy: 0.47010471926414554
Energy: 0.469499647852607

minimum gb energy = 0.46861312669398575 eV
minimum distance =  2.5363327093901 Angstroms
sigma value = 85


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

Energy: 1.742897082563639
Energy: 0.41770655637336335
Energy: 0.40824734417756936
Energy: 0.41770655637938925
Energy: 1.7263454275673025
Energy: 0.41590241488686364
Energy: 0.5905895033831761
Energy: 0.41590241488686364
Energy: 1.7227532473342
Energy: 0.41564052384495176
Energy: 0.590897460885884
Energy: 0.4156405238444883
Energy: 1.4060850519881172
Energy: 0.4170001904815325
Energy: 0.9277327842418632
Energy: 0.417000190481996
Energy: 1.7240010387153077
Energy: 0.4152511542006268
Energy: 0.9299210901355907
Energy: 0.4152511542006268
Energy: 1.4096274475125432
Energy: 0.41598491695002154
Energy: 0.9274294964479223
Energy: 0.41598491695141215
Energy: 1.4072302735518902
Energy: 0.4160875159446102
Energy: 1.2515769646886494
Energy: 0.4160875159455372
Energy: 1.568709703587302
Energy: 0.41623471664695716
Energy: 0.9294390921695509
Energy: 0.4162347166478842
Energy: 1.4141969367088834
Energy: 0.4156834438150159
Energy: 1.2495046741595492
Energy: 0.4156834438145523
Energy: 1.4129820882512556
Energy: 0.496825479673635
Energy: 1.565491383229843
Energy: 0.49682547967641627
Energy: 1.253109075522181
Energy: 0.6435888093411076
Energy: 1.2482562638658141
Energy: 0.6435888093420348
Energy: 1.092753013952964
Energy: 0.4158558243563024
Energy: 1.5652913829343054
Energy: 0.41585582434888585
Energy: 1.2503290847401625
Energy: 0.4154758601893335
Energy: 1.5665929108059047
Energy: 0.41547586018840643
Energy: 0.9310523322356571
Energy: 0.4161948528391355
Energy: 1.2466413894317507
Energy: 0.41619485283820845
Energy: 0.7661076006786517
Energy: 0.4153813431945868
Energy: 1.7235088930324465
Energy: 0.41538134319644093
Energy: 0.9286035969941779
Energy: 0.4159965857842923
Energy: 1.567777006070363
Energy: 0.41599658578382886
Energy: 0.5933838617026609
Energy: 0.41654300729280636
Energy: 1.563925034750987
Energy: 0.41654300729373345
Energy: 0.5930494611642617
Energy: 0.41565523457561543
Energy: 1.7231317537466626
Energy: 0.41565523457561543
Energy: 0.5937671796785782
Energy: 0.4165777086606372
Energy: 1.718738994805864
Energy: 0.41657770866156435
Energy: 0.4170805190951031
Energy: 0.4164530954509172
Energy: 1.718675607689432
Energy: 0.4164530954509172
Energy: 0.415730446112633
Energy: 0.41561300744146457
Energy: 1.7235503328285187
Energy: 0.4156130074428552
Energy: 0.41727387041053327
Energy: 0.4168944073995068
Energy: 1.7191072686861752
Energy: 0.41689440740043393
Energy: 0.592157259454561
Energy: 0.4161796312157166
Energy: 1.7204996363667002
Energy: 0.4161796312152531
Energy: 0.5925408017240862
Energy: 0.4154556604941618
Energy: 1.724965874811432
Energy: 0.41545566049694305
Energy: 0.5926171553148701
Energy: 0.41797205998850967
Energy: 1.406095258590782
Energy: 0.4179720599875826
Energy: 0.9275883050305376
Energy: 0.41553000738414636
Energy: 1.7214075768610415
Energy: 0.4155300073846099
Energy: 0.9291527594993438
Energy: 0.41547537435240955
Energy: 1.7225149926376755
Energy: 0.4154753743514825
Energy: 0.92764169379338
Energy: 0.41656481625012715
Energy: 1.4073503002433199
Energy: 0.4165648162478095
Energy: 1.2542372343910275
Energy: 0.41536570743278084
Energy: 1.7247741710261995
Energy: 0.4153657074244583
Energy: 1.2517125198291967
Energy: 0.4156227793506933
Energy: 1.4102128014503006
Energy: 0.4156227793613546
Energy: 1.4127002287843995
Energy: 0.49668427524657643
Energy: 1.090642254649725
Energy: 0.4966842752461339
Energy: 1.2481577706251008
Energy: 0.4966447509378652
Energy: 1.4127705232337542
Energy: 0.49664475093554755
Energy: 1.5678324690438437
Energy: 0.41550077256414036
Energy: 1.0893899194307912
Energy: 0.4155007725224435
Energy: 1.5664634178287502
Energy: 0.4152951209851477
Energy: 1.090799961066145
Energy: 0.4152951209874654
Energy: 1.2464251132239466
Energy: 0.41696028052582707
Energy: 0.9276158550822683
Energy: 0.41696028052536355
Energy: 1.726880026877346
Energy: 0.4153083475354379
Energy: 0.9291860870435343
Energy: 0.41530834753312024
Energy: 1.7206808270574818
Energy: 0.4154780096867623
Energy: 0.9275511781031707
Energy: 0.4154780096867623
Energy: 1.5640217381689874
Energy: 0.417613147899496
Energy: 0.5927830348095976
Energy: 0.417613147899496
Energy: 1.7247875509578188
Energy: 0.41526369230641325
Energy: 0.5925895391917287
Energy: 0.4152636923059497
Energy: 1.7192493633756254
Energy: 0.41628973785681184
Energy: 0.5921009167126836
Energy: 0.41628973785681184
Energy: 1.5627308743421249
Energy: 0.41696517896132956
Energy: 0.41697568448160344
Energy: 0.4169651789622566
Energy: 1.7235056935342745
Energy: 0.41536691537218623
Energy: 0.41568364166236105
Energy: 0.41536691536569675
Energy: 1.7192077872650366
Energy: 0.4164696494722966
Energy: 0.41726109082028845
Energy: 0.416469649471833

minimum gb energy = 0.40824734417756936 eV
minimum distance =  2.53536490788537 Angstroms
sigma value = 113


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

Energy: 0.010249280687112745
Energy: 0.3621136254066681
Energy: 1.5618352953723391
Energy: 0.36211362540561876
Energy: 1.2636076407957963
Energy: 0.0944672000334182
Energy: 1.2637489255567822
Energy: 0.09446720003306186
Energy: 0.010704323999704713
Energy: 0.09335518971024019
Energy: 1.2622930908748002
Energy: 0.09335518970952751
Energy: 0.011507832461723391
Energy: 0.09424428735638801
Energy: 1.2717054683147073
Energy: 0.09424428735710069
Energy: 1.2681930785074782
Energy: 0.09657912786344144
Energy: 1.271005618649411
Energy: 0.09657912786415412
Energy: 0.010803173511402833
Energy: 0.0934096939868204
Energy: 1.2650297324434723
Energy: 0.09340969398648387

minimum gb energy = 0.010249280687112745 eV
minimum distance =  2.80988007257175 Angstroms
sigma value = 1