Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Fe__MO_196726067688_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.567322969436645
cohesive_energy=4.225801906680588
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.016867938971184618
Energy: 0.03138147643176959
Energy: -0.5147397920385525
Energy: 0.03138147643302199
Energy: 0.03138147643176959
Energy: 1.2931073337471084
Energy: 0.031381476429229005
Energy: 1.2931073337477166
Energy: -0.5147397920385525
Energy: 0.0313814764342744
Energy: 0.016867938971184618
Energy: 0.0313814764311255
Energy: 0.0313814764323779
Energy: 1.2931073337477166
Energy: 0.03138147643302199
Energy: 1.2931073337477166

minimum gb energy = -0.5147397920385525 eV
minimum distance =  2.44144555840187 Angstroms
sigma value = 1


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

Energy: 0.5352877397580393
Energy: 0.5785231573330366
Energy: 0.39354218715588646
Energy: 0.5785231573322553
Energy: 0.5230063073093341
Energy: 0.5540795055380439
Energy: 0.5219600456529323
Energy: 0.5540795360829411
Energy: 0.35745291246271715
Energy: 0.5387513388637875
Energy: 0.5262382830203747
Energy: 0.5387513388637875
Energy: 0.48564418381223406
Energy: 0.6114109215044162
Energy: 0.5300342270181961
Energy: 0.6114109213576316
Energy: 0.48402271164762933
Energy: 0.589246465542146
Energy: 0.4802972879872285
Energy: 0.589246465542146
Energy: 0.43400073788675164
Energy: 0.774522412651765
Energy: 0.41585946667896534
Energy: 0.7745224126486404
Energy: 0.50999532559317
Energy: 0.5495131595278163
Energy: 0.45105251248909883
Energy: 0.5495131595278163
Energy: 0.311933780121331
Energy: 0.5790930940647324
Energy: 0.3648039603078909
Energy: 0.5790930940647324
Energy: 0.5298459904715538
Energy: 0.7448136686589739
Energy: 0.473220065698376
Energy: 0.7448136696451362
Energy: 0.4130197713489788
Energy: 0.5359148329539941
Energy: 0.23602863067007088
Energy: 0.5359148329539941
Energy: 0.4693871732190274
Energy: 0.5638342293185591
Energy: 0.5294320923854359
Energy: 0.563834229296687
Energy: 0.37126792448269
Energy: 0.584303805751383
Energy: 0.765977165545203
Energy: 0.5843038057506018
Energy: 0.5254211128427736
Energy: 0.5250966066775263
Energy: 0.5314265530237987
Energy: 0.5250966066798698
Energy: 0.48555197456140625
Energy: 0.5599137548338691
Energy: 0.47603489674226623
Energy: 0.5599137548338691
Energy: 0.48093556370049423
Energy: 0.5868032814467049
Energy: 0.5322307158910516
Energy: 0.5868032814467049
Energy: 0.4734762690762041
Energy: 0.5749788411972959
Energy: 0.5276397494737853
Energy: 0.5749788400940326
Energy: 0.5219408793154023
Energy: 0.5410344191067304
Energy: 0.3710715583820373
Energy: 0.5410344191075117
Energy: 0.5193484273584179
Energy: 0.5573612490961283
Energy: 0.51497030315644
Energy: 0.5573612490976906
Energy: 0.2339977063022301
Energy: 0.5850459929356856
Energy: 0.4662601351857831
Energy: 0.5850459929349043
Energy: 0.5203162018850429
Energy: 0.8471003103661873
Energy: 0.5376340622298765
Energy: 0.8471003103177561
Energy: 0.39927354642648716
Energy: 0.5380459274347658
Energy: 0.30319223563734815
Energy: 0.5380459274347658
Energy: 0.5072783825570344
Energy: 0.833256489662656
Energy: 0.46326791756631747
Energy: 0.8332564897531981
Energy: 0.47499479960372704
Energy: 0.5854118640408218
Energy: 0.371499356338013
Energy: 0.585411864041603
Energy: 0.4257650935824367
Energy: 0.5413116346464367
Energy: 0.44553664720707564
Energy: 0.5413116346464367
Energy: 0.44278099408220023
Energy: 0.7828198879094387
Energy: 0.5143450117706225
Energy: 0.7828198879125632
Energy: 0.476838142482731
Energy: 0.5802710081699803
Energy: 0.3889999768822431
Energy: 0.5802710081707616
Energy: 0.5018782729792332
Energy: 0.815171508102736
Energy: 0.5250397237269022
Energy: 0.8151715080996115
Energy: 0.34537326064422924
Energy: 0.547884306052275
Energy: 0.5367324253997157
Energy: 0.5478843060507128
Energy: 0.5217937840944555
Energy: 0.5901270376697174
Energy: 0.48829985320210045
Energy: 0.5901273163903343
Energy: 0.5618924274645135
Energy: 0.9261197973456007
Energy: 0.41721279486581964
Energy: 0.9261197973448196
Energy: 0.5417266205029807
Energy: 0.5698878894473896
Energy: 0.5276324578313945
Energy: 0.5698878894497329
Energy: 0.4548797642746003
Energy: 0.5267849534061128
Energy: 0.5251056089657551
Energy: 0.526784953396739
Energy: 0.4728731643666942
Energy: 0.5925114154059097
Energy: 0.490474184496578
Energy: 0.5925114156729199

minimum gb energy = 0.2339977063022301 eV
minimum distance =  2.25704143128599 Angstroms
sigma value = 1


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

Energy: 0.8951514349342707
Energy: 0.9563549103884982
Energy: 0.5873003864123212
Energy: 0.9563549103893887
Energy: 0.6458540302383078
Energy: 0.763883456224597
Energy: 0.6606067408867499
Energy: 0.7638834464959676
Energy: 0.484735194534291
Energy: 0.7200748019140918
Energy: 0.6208583748257835
Energy: 0.7200747870940941
Energy: 0.6327207797608501
Energy: 0.6940486170729938
Energy: 0.5708630084015063
Energy: 0.6940486170587437
Energy: 0.6216702592882499
Energy: 0.7150042133219854
Energy: 0.5442490566450453
Energy: 0.7150042133237666
Energy: 0.6152640710432545
Energy: 0.721792670355866
Energy: 0.5191054344274608
Energy: 0.721792670355866
Energy: 0.6171885891776611
Energy: 0.7044850438263307
Energy: 0.6687165808920448
Energy: 0.7044850440266448
Energy: 0.38759539538020565
Energy: 0.7487208144230113
Energy: 0.514229379299142
Energy: 0.748720814418558
Energy: 0.6144537578077813
Energy: 0.6999101071496776
Energy: 0.6445094918198456
Energy: 0.6999125509336723
Energy: 0.5909496954697631
Energy: 0.7428165559136537
Energy: 0.433290153533303
Energy: 0.7428165559065285
Energy: 0.5874318799638518
Energy: 0.738399469012478
Energy: 0.6536104138726949
Energy: 0.7383993055387599
Energy: 0.5322502829998871
Energy: 0.7077158904012344
Energy: 0.6455126495097446
Energy: 0.7077158903620866
Energy: 0.7012720806807441
Energy: 0.6955608395623025
Energy: 0.5580480009217342
Energy: 0.6955608395684965
Energy: 0.7026224275816098
Energy: 0.7076578567489261
Energy: 0.5891371745193955
Energy: 0.7076578567498168
Energy: 0.5465191376907571
Energy: 0.7092361726049002
Energy: 0.6505325034614625
Energy: 0.7092361725497208
Energy: 0.5855610166831222
Energy: 0.7223136614334085
Energy: 0.6896964849928613
Energy: 0.722313661429846
Energy: 0.591486885884913
Energy: 0.7502240764020702
Energy: 0.47508794638557317
Energy: 0.7502240763985076
Energy: 0.6362514479566487
Energy: 1.018779378351
Energy: 0.6411960565228813
Energy: 1.0187793783492187
Energy: 0.42910614999565583
Energy: 0.7177261615650177
Energy: 0.5242077635251411
Energy: 0.7177261359552284
Energy: 0.6125263435049326
Energy: 0.6836399228247069
Energy: 0.5404421193929777
Energy: 0.6836399230899974
Energy: 0.614300905286462
Energy: 0.7163480319528337
Energy: 0.5620841990749421
Energy: 0.7163480319501617
Energy: 0.6159529521061019
Energy: 0.7021688122275616
Energy: 0.5742672111471561
Energy: 0.7021688124750393
Energy: 0.6271299147783379
Energy: 0.7036936811314664
Energy: 0.6225456610175656
Energy: 0.7036936811314664
Energy: 0.5160156137625681
Energy: 0.7449830958894027
Energy: 0.6444512900037672
Energy: 0.7449830958902934
Energy: 0.6465407925977655
Energy: 0.7175709482906688
Energy: 0.6597893552958696
Energy: 0.7175709485079051
Energy: 0.8951514348586065
Energy: 0.9563549104063109
Energy: 0.5874025376239156
Energy: 0.9563549104045297
Energy: 0.645854030240089
Energy: 0.7638833204643299
Energy: 0.6606067408867499
Energy: 0.7638833517102784
Energy: 0.48473519481561317
Energy: 0.7200742960889203
Energy: 0.6208583748329086
Energy: 0.7200742970174169
Energy: 0.6327207797555061
Energy: 0.6940486260947757
Energy: 0.5708630084006155
Energy: 0.6940486267339748

minimum gb energy = 0.38759539538020565 eV
minimum distance =  2.24740699029816 Angstroms
sigma value = 25


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

Energy: 0.9033543216876084
Energy: 0.8656770154656347
Energy: 0.765728622141614
Energy: 0.8656770154645993
Energy: 0.83325311304144
Energy: 0.8314126673385942
Energy: 0.8144452339194774
Energy: 0.831412667038483
Energy: 0.662828569834942
Energy: 1.039228395369478
Energy: 0.7537293566732404
Energy: 1.039228395369478
Energy: 0.7319538066246187
Energy: 0.9019221668557328
Energy: 0.7372579345174746
Energy: 0.9019221668950764
Energy: 0.7338429144006096
Energy: 1.1305464267724852
Energy: 0.7437614054554931
Energy: 1.1305464267735208
Energy: 0.787102887693643
Energy: 0.9824123780409993
Energy: 0.7974909389990653
Energy: 0.982412378030646
Energy: 0.7867299799198062
Energy: 0.7745634345497204
Energy: 0.7886699899705132
Energy: 0.7740949223716824
Energy: 0.763967067752921
Energy: 0.8607044844941428
Energy: 0.5852067677410191
Energy: 0.860704484488966
Energy: 0.7078922813052559
Energy: 0.8729417536890269
Energy: 0.782297213558014
Energy: 0.872941753506899
Energy: 0.7597858641868512
Energy: 0.9983474345006533
Energy: 0.699868715775211
Energy: 0.998347434499618
Energy: 0.7514297845081244
Energy: 0.9084198109385503
Energy: 0.8295915552674461
Energy: 0.9084198109385503
Energy: 0.6923822048413518
Energy: 0.8928483969407073
Energy: 0.8148395612738571
Energy: 0.8928483969407073
Energy: 0.7609528117152393
Energy: 0.8952161528512428
Energy: 0.6880505898758454
Energy: 0.8952161528491721
Energy: 0.75011565223722
Energy: 0.8602663458320002
Energy: 0.767458627150031
Energy: 0.8602663457285119
Energy: 0.5884493239889222
Energy: 0.8639574473837824
Energy: 0.620635174796071
Energy: 0.8639574473848177
Energy: 0.8104951171702992
Energy: 0.8644398938116641
Energy: 0.7450818473834093
Energy: 0.8644396808058087
Energy: 0.5739159756709692
Energy: 0.9663525166196758
Energy: 0.5705852606731431
Energy: 0.9663525166196758
Energy: 0.7122608845591872
Energy: 1.1274695100281533
Energy: 0.7313942407333308
Energy: 1.127469510030224
Energy: 0.7261394615838257
Energy: 0.8789214259548308
Energy: 0.7305001102611234
Energy: 0.8789214257023458
Energy: 0.7881440015536678
Energy: 1.0144521029979015
Energy: 0.776188426910346
Energy: 1.0144521029947953
Energy: 0.8172119178699522
Energy: 0.848377769924256
Energy: 0.8015336642086457
Energy: 0.8483777699232207
Energy: 0.8125717291066344
Energy: 0.8677465356352065
Energy: 0.7594210825612413
Energy: 0.8677465356331356
Energy: 0.8055869958195586
Energy: 0.8721686495802017
Energy: 0.8249033943819404
Energy: 0.8721686495791664
Energy: 0.674569337916263
Energy: 0.9938006370884744
Energy: 0.7904162750295269
Energy: 0.9938006370522371
Energy: 0.821079970754193
Energy: 0.8806732632525804
Energy: 0.7257350740238827
Energy: 0.8806732632505567

minimum gb energy = 0.5705852606731431 eV
minimum distance =  2.21710742740486 Angstroms
sigma value = 9


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

Energy: 1.079645300910632
Energy: 1.0915302613425644
Energy: 0.9509035208404378
Energy: 1.0915302613425644
Energy: 0.9039957334132599
Energy: 1.0810689317459798
Energy: 0.9635177451317242
Energy: 1.0810689317410394
Energy: 0.8172231532672417
Energy: 1.1497410641534562
Energy: 0.9529837515231573
Energy: 1.1497410641559265
Energy: 1.107402563978577
Energy: 1.0833526031609912
Energy: 0.8278841298770879
Energy: 1.0833526065547694
Energy: 1.0103367036929363
Energy: 1.0212964368583677
Energy: 0.9158846754114773
Energy: 1.0212964369225648
Energy: 0.7983060050436819
Energy: 1.104579459184075
Energy: 0.8276098333237916
Energy: 1.1045794591630784
Energy: 0.9987329461413735
Energy: 0.7642943656236315
Energy: 0.763954989233051
Energy: 0.7642943836209404
Energy: 0.7875881839507883
Energy: 1.1339913169104234
Energy: 0.8197631952798418
Energy: 1.1339913169017777
Energy: 1.0174672229467088
Energy: 1.142764659107058
Energy: 0.9639339173006708
Energy: 1.1427646591082932
Energy: 0.9562535747906493
Energy: 1.0930899910873642
Energy: 0.9026744256814577
Energy: 1.0930899998934411
Energy: 0.8665953158949528
Energy: 1.029484507922429
Energy: 0.9577527476687602
Energy: 1.0294845079076358
Energy: 0.9840191717265444
Energy: 1.1092968472199132
Energy: 0.8617293664838692
Energy: 1.109296847059406
Energy: 0.7820035840541081
Energy: 1.1477632311925159
Energy: 0.7347773404815352
Energy: 1.1477632311875754
Energy: 0.7519651931572857
Energy: 1.130072742184762
Energy: 0.9283807521105086
Energy: 1.1300727421798216
Energy: 0.7961149030474329
Energy: 1.033659232622565
Energy: 0.7801091386988844
Energy: 1.0336592325299605
Energy: 1.082246875051633
Energy: 1.1804360522421256
Energy: 0.7677446965020277
Energy: 1.180436052100173
Energy: 0.9533372084275378
Energy: 1.028468720535054
Energy: 0.9455067317962981
Energy: 1.0284687205387595
Energy: 0.9962497291114776
Energy: 1.1044911702396807
Energy: 0.8836187181037842
Energy: 1.1044911702372104
Energy: 0.9566421051846208
Energy: 0.9895697514383192
Energy: 0.8654477535967112
Energy: 0.9895677831026546
Energy: 0.7949084431318378
Energy: 1.14190273489889
Energy: 0.7977151954391112
Energy: 1.1419027343384063
Energy: 1.0680525903711657
Energy: 0.8309006738223337
Energy: 0.8282701357063299
Energy: 0.830897417865075

minimum gb energy = 0.7347773404815352 eV
minimum distance =  2.26601399642599 Angstroms
sigma value = 25


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

Energy: 0.9398215461012887
Energy: 1.1098125776565277
Energy: 0.9525681887809623
Energy: 1.1098125776519454
Energy: 0.7852750451106281
Energy: 1.4208831922588068
Energy: 1.1824222490503535
Energy: 1.4208831922588068
Energy: 0.7264946163777154
Energy: 1.2835412096804795
Energy: 1.0359342756096606
Energy: 1.2835412096820071
Energy: 0.8909987560316893
Energy: 1.4689482830441176
Energy: 0.9952871228675593
Energy: 1.4689482830441176
Energy: 0.857975270557962
Energy: 1.1536649310514877
Energy: 0.9274517262602282
Energy: 1.1536649394990774
Energy: 1.0155769327633808
Energy: 1.2843253812314546
Energy: 0.7473204023275808
Energy: 1.2843253812314546
Energy: 0.925776876650394
Energy: 0.978557321736706
Energy: 0.8950342863415578
Energy: 0.9785573217168493
Energy: 0.9800842198910559
Energy: 1.4154838793282696
Energy: 0.9340796917195416
Energy: 1.4154838793282696
Energy: 1.0398804160907926
Energy: 1.3289354447649866
Energy: 0.8128898553858367
Energy: 1.3289354447649866
Energy: 1.0205831423993312
Energy: 1.2822649487863362
Energy: 1.012753794514218
Energy: 1.2822649487848086
Energy: 0.8381690250515476
Energy: 1.416502180579381
Energy: 0.9350639170519223
Energy: 1.416502180579381
Energy: 1.1779643529814992
Energy: 0.9406260273531131
Energy: 1.0602627394644708
Energy: 0.94062603097152
Energy: 0.8654334694851261
Energy: 1.3170124373300263
Energy: 1.044538369105705
Energy: 1.3170124373300263
Energy: 1.3029848870167329
Energy: 1.1457746983184496
Energy: 0.8223386616928491
Energy: 1.1457746983138675
Energy: 1.0344073865471686
Energy: 1.4048840482384939
Energy: 0.9983959848078245
Energy: 1.4048840482384939
Energy: 1.1484247660654547
Energy: 1.283325589270404
Energy: 1.0166078326610792
Energy: 1.283325589287206
Energy: 0.7603123684780495
Energy: 1.0639008449964344
Energy: 0.9294074392273691
Energy: 1.0639008454056154

minimum gb energy = 0.7264946163777154 eV
minimum distance =  2.29922973508939 Angstroms
sigma value = 17


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

Energy: 1.1131199007080694
Energy: 1.0139069337005417
Energy: 1.0014340082551196
Energy: 1.0139069340576585
Energy: 0.9412828925119961
Energy: 0.9707069896339056
Energy: 0.8030601290674203
Energy: 0.9707069896330405
Energy: 0.8665323144369513
Energy: 1.080154576688664
Energy: 0.8024576260071878
Energy: 1.080154576688664
Energy: 0.7982611295853571
Energy: 1.1073106027639137
Energy: 0.9129716415417605
Energy: 1.1073106027613184
Energy: 0.8645507585343208
Energy: 1.0635213358312434
Energy: 0.8688941470292573
Energy: 1.063521337615962
Energy: 0.7949088726187707
Energy: 1.102218469807267
Energy: 0.8210447985746407
Energy: 1.1022184701713045
Energy: 1.1414076712033197
Energy: 0.9409984485982602
Energy: 0.872184092811917
Energy: 0.9409984580535959
Energy: 0.8103632631355856
Energy: 1.1151682284161744
Energy: 0.8271892606948289
Energy: 1.1151682284161744
Energy: 0.811502030163192
Energy: 1.4056815580742745
Energy: 0.898918358198456
Energy: 1.4056815580734094
Energy: 0.952622260335755
Energy: 1.0314019866868585
Energy: 0.8846658791937531
Energy: 1.0314019915342794
Energy: 1.0285273572775657
Energy: 1.099476856459715
Energy: 0.8465680668528498
Energy: 1.099476856461445
Energy: 1.0372662349680937
Energy: 0.9375005059328401
Energy: 0.9138618775586855
Energy: 0.9375004983158179
Energy: 0.8916501999808419
Energy: 1.0607307458338584
Energy: 0.955700714189667
Energy: 1.0607307455139003
Energy: 1.042558221514959
Energy: 1.1772203646284876
Energy: 0.9303662989793993
Energy: 1.1772203646042656
Energy: 1.0105057794616312
Energy: 1.0708341291295254
Energy: 1.0875668081989531
Energy: 1.07083412912693
Energy: 0.8678641692722522
Energy: 1.0699282241868848
Energy: 1.1870845118464275
Energy: 1.0699282224307134
Energy: 1.1289132651599703
Energy: 1.1035043226049925
Energy: 0.9775878528506485
Energy: 1.1035043225954768
Energy: 0.8231768663604124
Energy: 1.035681140557355
Energy: 0.7809107917030587
Energy: 1.0356811405512996
Energy: 1.1844083464153965
Energy: 1.0554062406348115
Energy: 0.8808288956774294
Energy: 1.0554062406348115
Energy: 0.949308372879475
Energy: 1.055486043445256
Energy: 0.7799081994998629
Energy: 1.0554858734021337
Energy: 0.8609874185920579
Energy: 1.115644685566772
Energy: 0.8402359109289969
Energy: 1.1156446854621378
Energy: 0.8750560448531436
Energy: 1.0880852743865344
Energy: 0.9945228943193457
Energy: 1.0880852543180453
Energy: 0.9296321882296898
Energy: 1.0571675252784063
Energy: 1.034583601894982
Energy: 1.0571674019637833
Energy: 0.8976196895230012
Energy: 1.0650860403836402
Energy: 0.8972171403193867
Energy: 1.0650860403845053
Energy: 0.9451486281300945
Energy: 1.0763567479549185
Energy: 0.9092631167418898
Energy: 1.0763566944541774
Energy: 0.9484178794445802
Energy: 1.1117631026087873
Energy: 1.0608423143560162
Energy: 1.1117631025413508
Energy: 0.8383137707801958
Energy: 0.9327745208599416
Energy: 0.9578607748534647
Energy: 0.9327576737503129
Energy: 0.842644285115694
Energy: 1.1080982188591113
Energy: 0.8365007413166039
Energy: 1.1080982202763323
Energy: 0.9601946308939795
Energy: 1.1979430337494386
Energy: 0.7643665700611845
Energy: 1.1979430337485732
Energy: 0.9675406946849353
Energy: 1.053099432920525
Energy: 0.8326004595792262
Energy: 1.05309943292139

minimum gb energy = 0.7643665700611845 eV
minimum distance =  2.26837922770926 Angstroms
sigma value = 53


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

Energy: 1.0226682430543292
Energy: 1.0986446734309485
Energy: 0.6555097637529378
Energy: 1.0986446734110333
Energy: 1.1024774039942693
Energy: 1.2602025178651852
Energy: 1.2301387104670496
Energy: 1.2602025176302738
Energy: 1.0232546238716353
Energy: 1.2529044045010491
Energy: 0.8847425832915743
Energy: 1.2529044045010491
Energy: 1.0282236012919836
Energy: 1.293792020049785
Energy: 0.9030732453786185
Energy: 1.2937920200477935
Energy: 1.1369122942540932
Energy: 1.2605826574294239
Energy: 1.23373370831326
Energy: 1.2605826574294239
Energy: 1.0226682430543292
Energy: 1.0986446733851885
Energy: 1.1460123316281767
Energy: 1.0986446733812054
Energy: 1.1024774056385582
Energy: 1.2602025126596132
Energy: 0.8754720150523827
Energy: 1.2602025127671113
Energy: 1.0232546244768377
Energy: 1.2529044045010491
Energy: 1.0536635788455868
Energy: 1.2529044045030409
Energy: 1.0282236012919836
Energy: 1.2937920200477935
Energy: 1.1913378715168665
Energy: 1.293792020049785
Energy: 1.1369122942521017
Energy: 1.2605826574274324
Energy: 1.3558950721644096
Energy: 1.2605826574274324
Energy: 1.0226682430543292
Energy: 1.0986446735683195
Energy: 1.0909687130933143
Energy: 1.0986446735762858
Energy: 1.1024774054155961
Energy: 1.2602025057838622
Energy: 1.183545965499174
Energy: 1.2602025057778876
Energy: 1.0232546245544627
Energy: 1.2529044045010491
Energy: 1.0536635788455868
Energy: 1.2529044045030409

minimum gb energy = 0.6555097637529378 eV
minimum distance =  2.27184724904926 Angstroms
sigma value = 9


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

Energy: 0.9547678744716237
Energy: 1.1999953049958716
Energy: 1.1802764961062893
Energy: 1.199995305263306
Energy: 1.0350673400099681
Energy: 0.956060330860369
Energy: 0.8617919091584312
Energy: 0.9560603308596318
Energy: 1.0880736450943296
Energy: 0.919167958243893
Energy: 0.8376442590574746
Energy: 0.9191678883555874
Energy: 1.169342228741161
Energy: 1.2382341884237846
Energy: 0.8385821232724706
Energy: 1.2382341884245218
Energy: 1.029588568385982
Energy: 0.9224052987223623
Energy: 0.916780134856025
Energy: 0.922404516866091
Energy: 0.9545963240559782
Energy: 0.9976140772934722
Energy: 0.8822928292797173
Energy: 0.9974944907008162
Energy: 1.1439033954636684
Energy: 0.9641179711790289
Energy: 0.8180242107822366
Energy: 0.9641179722200857
Energy: 0.8429351333841988
Energy: 1.2385106136635171
Energy: 0.9392072954314848
Energy: 1.2385106136679398
Energy: 0.8263402052078258
Energy: 1.2277375847285923
Energy: 0.9411701641651536
Energy: 1.2277376055962987
Energy: 0.8748542729860888
Energy: 0.9170058017715257
Energy: 0.9064718342894378
Energy: 0.9170323870283132
Energy: 0.8267196030456548
Energy: 1.240108394892193
Energy: 0.9521578020945453
Energy: 1.2401083948803993
Energy: 0.9888315917422585
Energy: 1.1806321444684345
Energy: 0.8296996030158091
Energy: 1.180612164976278
Energy: 1.0236002828073558
Energy: 1.0563346332737207
Energy: 1.0221617395465634
Energy: 1.0563583992195578
Energy: 1.2295665016892408
Energy: 1.488004070524288
Energy: 0.8845646768368134
Energy: 1.4880040704970823
Energy: 0.8089681148742653
Energy: 0.9815929553081308
Energy: 1.1481868359621217
Energy: 0.9815929603572159
Energy: 0.8418200796938838
Energy: 1.240192467193575
Energy: 1.1453530161462107
Energy: 1.2401926022856988
Energy: 0.9963494279590827
Energy: 1.170095499980671
Energy: 0.9554648158998261
Energy: 1.170095499981408
Energy: 0.8279545123040923
Energy: 0.9658501299998083
Energy: 0.9982045901065785
Energy: 0.9658501298450839
Energy: 0.916396072298053
Energy: 1.1483139479982325
Energy: 0.9461001655232228
Energy: 1.14831637878628
Energy: 0.8759231051493165
Energy: 0.8968183323560049
Energy: 1.0997304277669917
Energy: 0.8968182826295968
Energy: 1.120012628611172
Energy: 1.2309362092138223
Energy: 0.9057503146409175
Energy: 1.2309362082331408
Energy: 0.9382818390467873
Energy: 1.125723587722927
Energy: 0.8215671944323522
Energy: 1.12572358841252
Energy: 0.9412762904585344
Energy: 1.0360089298026225
Energy: 0.8503129228242693
Energy: 1.0360089144209692
Energy: 1.0866548804883167
Energy: 1.228574186678508
Energy: 0.8256784429801518
Energy: 1.2285741866792452
Energy: 0.8593221967535577
Energy: 1.0620498549848498
Energy: 1.1112161236349392
Energy: 1.062049855185208
Energy: 0.85216846869459
Energy: 0.9173575924787717
Energy: 0.8382661062309376
Energy: 0.9217021288825151
Energy: 1.0870346297060525
Energy: 1.053048428183744
Energy: 1.2536233751222523
Energy: 1.0530351912828115
Energy: 0.9085280857770811
Energy: 1.3771382275406052
Energy: 1.247181559596701
Energy: 1.3771382274639463
Energy: 0.8806992829118415
Energy: 0.9703861114445229
Energy: 1.0289102106913555
Energy: 0.9703861455969606
Energy: 0.857777568855325
Energy: 1.2130603521816883
Energy: 1.0470785343479538
Energy: 1.2130613997773456
Energy: 0.9159168547998712
Energy: 1.4526108644362052
Energy: 0.82943801757774
Energy: 1.4526108259610633
Energy: 0.9129027717825445
Energy: 1.0281467084328235
Energy: 0.8809165852786077
Energy: 1.0281466298203739
Energy: 0.9358330879364954
Energy: 1.0920028283738845
Energy: 1.0355254558016416
Energy: 1.0920028060208495
Energy: 0.9153733762478157
Energy: 1.215966736243662
Energy: 1.1516882829754327
Energy: 1.215966736259141
Energy: 0.8457618630673397
Energy: 1.1577471296478472
Energy: 1.040387126429169
Energy: 1.1577471285212866

minimum gb energy = 0.8089681148742653 eV
minimum distance =  2.22191770081041 Angstroms
sigma value = 73


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

Energy: 1.1252207968132693
Energy: 1.181174611943963
Energy: 1.3845374009949811
Energy: 1.1811746119392856
Energy: 0.9849465182550475
Energy: 1.0407382415219852
Energy: 0.9935243525707284
Energy: 1.0407347500127855
Energy: 0.8947742759550356
Energy: 0.9856656630508639
Energy: 0.9543867184144299
Energy: 0.9361091919676564
Energy: 0.9495235374153719
Energy: 1.2167201563451404
Energy: 0.9345103135606256
Energy: 1.2167201538225598
Energy: 1.0264421901539953
Energy: 1.0434124747126279
Energy: 1.0355754541941964
Energy: 1.043412474685757
Energy: 1.0328639715719956
Energy: 1.338840320201536
Energy: 1.0463273923202268
Energy: 1.3388403201793162
Energy: 1.1282207301488025
Energy: 1.3474012670770905
Energy: 0.9061326420292616
Energy: 1.3474012668771904
Energy: 0.9809213837286991
Energy: 1.003458775543998
Energy: 1.1617674045185726
Energy: 1.0031779160987715
Energy: 1.2202340563637135
Energy: 0.9676807288683875
Energy: 1.0267396846794494
Energy: 0.9676807288929198
Energy: 0.8769377348516469
Energy: 1.0159228143820689
Energy: 1.0136748544632739
Energy: 1.0159228145831385
Energy: 0.9656631678351894
Energy: 0.9960067177895651
Energy: 1.111825133398495
Energy: 0.9960068159104213
Energy: 1.0809638128932697
Energy: 1.169269738556495
Energy: 0.9494820786412199
Energy: 1.1692697148465936
Energy: 0.8768033994622831
Energy: 1.1397269030263348
Energy: 1.2875623993253025
Energy: 1.1397269030158361
Energy: 1.1141960824058965
Energy: 1.3390854856795948
Energy: 0.9304516881862634
Energy: 1.3390854835532533
Energy: 0.9758818100112995
Energy: 1.0805829944941745
Energy: 1.2377575017246665
Energy: 1.0805829944871577
Energy: 1.1509263139778814
Energy: 1.000660954464679
Energy: 0.9646588788749055
Energy: 1.0006609538159135
Energy: 1.0434483929074823
Energy: 1.2388191769598778
Energy: 0.8901606228160855
Energy: 1.238819176945844
Energy: 1.0124069156708522
Energy: 1.193576206828424
Energy: 0.9062489062067437
Energy: 1.1935761460241316
Energy: 0.972848242300448
Energy: 1.1820562153137093
Energy: 0.985072405906955
Energy: 1.1820562133989625
Energy: 0.9729049858338348
Energy: 1.1242864004823379
Energy: 1.0672151201849145
Energy: 1.1248240969982217
Energy: 1.1597418836188742
Energy: 1.2118914915159877
Energy: 0.8679356262118931
Energy: 1.211908292129659
Energy: 0.8849474613347764
Energy: 1.0416716629182605
Energy: 1.0957882630805555
Energy: 1.0416716629159215

minimum gb energy = 0.8679356262118931 eV
minimum distance =  2.27257223029455 Angstroms
sigma value = 7


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

Energy: 0.9635119932819768
Energy: 0.9660679115275372
Energy: 1.200527105928102
Energy: 0.9660679145420434
Energy: 1.020646978013342
Energy: 1.1687369450704064
Energy: 0.9614491289147754
Energy: 1.1687369451836598
Energy: 0.9536309688418128
Energy: 1.5015698508929907
Energy: 0.888488167687308
Energy: 1.5015698508946445
Energy: 0.8327493640934458
Energy: 1.0032388303017175
Energy: 0.9224204161444399
Energy: 1.0032388290750986
Energy: 1.0670009631070072
Energy: 1.0011653991977916
Energy: 0.8839142916125775
Energy: 1.0011653991225773
Energy: 1.1017000398938441
Energy: 0.9575080789267694
Energy: 1.0771717525626443
Energy: 0.9574496747907955
Energy: 1.0422106570318552
Energy: 1.4534769069034017
Energy: 0.8727263952398363
Energy: 1.4534769063991921
Energy: 1.1145273756268739
Energy: 1.1222121634727715
Energy: 1.2093040365043504
Energy: 1.1222080616033152
Energy: 1.0255367545522736
Energy: 1.2009159023856477
Energy: 0.9535011200779953
Energy: 1.2009159023906093
Energy: 1.0679975269386286
Energy: 0.9377930508257276
Energy: 1.0578530899006071
Energy: 0.9376731490054951
Energy: 0.879395850473181
Energy: 1.210883210872552
Energy: 0.8627238568043323
Energy: 1.2108831984871338
Energy: 0.8947530335289907
Energy: 0.9923019650824251
Energy: 0.8664346154794021
Energy: 0.9923019647170668
Energy: 0.9040877092859558
Energy: 1.1924638673107077
Energy: 0.8763851784555883
Energy: 1.1924638673107077
Energy: 0.8901680431701525
Energy: 1.1355025078850536
Energy: 0.8658577084034609
Energy: 1.135502507414749
Energy: 1.0464045977713046
Energy: 1.0869223952209495
Energy: 0.9907987484090935
Energy: 1.086922373698568
Energy: 1.3637996031184043
Energy: 1.0190597993214936
Energy: 1.0339914938846486
Energy: 1.01905983584371
Energy: 1.0523615930419075
Energy: 0.9889962345084012
Energy: 1.02967397599606
Energy: 0.9889962344811498
Energy: 0.8951117281840426
Energy: 1.3544607482637856
Energy: 0.8614243706831956
Energy: 1.3544607488671907
Energy: 1.0687759844692002
Energy: 1.1985050761327316
Energy: 0.8812823749984912
Energy: 1.1985050757144864
Energy: 1.0599894453772385
Energy: 1.0005051245232084
Energy: 0.8668893465460744
Energy: 1.0005052043819478
Energy: 0.875695966044981
Energy: 1.6124537006885282
Energy: 1.0571777887167242
Energy: 1.6124537006893551
Energy: 1.0626818914657836
Energy: 1.2155548715244036
Energy: 1.0659841214691095
Energy: 1.2155548715227495
Energy: 1.0358873349542277
Energy: 1.3552058557145936
Energy: 0.888345301400663
Energy: 1.3552058557154205
Energy: 0.9813288374829884
Energy: 0.9376088561930824
Energy: 1.1443802542248307
Energy: 0.9405244154703333
Energy: 0.8374150693107301
Energy: 1.004444274158261
Energy: 0.8994050780582442
Energy: 1.0044442743442479
Energy: 0.900419178928669
Energy: 1.2209562274864727
Energy: 0.876048949542664
Energy: 1.2209562274856458
Energy: 1.0803596231631596
Energy: 0.9278842495411889
Energy: 0.9610204803211656
Energy: 0.9278842495717857
Energy: 0.8887604239270307
Energy: 0.9863818393287882
Energy: 0.9816312902413565
Energy: 0.9863818393296152
Energy: 1.084896678226777
Energy: 1.039151606726885
Energy: 1.0736036872900498
Energy: 0.9978460892098636
Energy: 1.0690946774906662
Energy: 1.0351078365369626
Energy: 0.9429765507416111
Energy: 1.0351078369394955
Energy: 1.1074957666365401
Energy: 0.9949218011199454
Energy: 1.155776503246606
Energy: 0.9949216463420576

minimum gb energy = 0.8327493640934458 eV
minimum distance =  2.24810123635678 Angstroms
sigma value = 29


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

Energy: 1.0983632311827798
Energy: 1.2586189100080518
Energy: 0.6373826600671137
Energy: 1.2586189100069316
Energy: 0.9866544410871032
Energy: 1.2513638526529312
Energy: 1.116304220623196
Energy: 1.2513638527086843
Energy: 1.1190577460704512
Energy: 1.2900651544627226
Energy: 1.2538671038570395
Energy: 1.2900651542256913
Energy: 1.011988642221529
Energy: 1.4022513921211697
Energy: 1.0107125366341296
Energy: 1.4022513921259385
Energy: 1.0861120068835364
Energy: 1.212515971997507
Energy: 1.306745275972152
Energy: 1.2125159719986272
Energy: 1.1153259716381945
Energy: 1.335317943958766
Energy: 1.1174175410387863
Energy: 1.3353179439593101
Energy: 1.1137077049619635
Energy: 1.2053886976625614
Energy: 1.0316347790028988
Energy: 1.2053886976625614
Energy: 1.0638630103322633
Energy: 1.4124021044293318
Energy: 1.0355297171453202
Energy: 1.4124021044259711
Energy: 1.2971892311901572
Energy: 1.3410010521356852
Energy: 1.1191722878157377
Energy: 1.3410010521356852

minimum gb energy = 0.6373826600671137 eV
minimum distance =  2.3106178350172 Angstroms
sigma value = 5


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

Energy: 0.9125729951600144
Energy: 0.8082874491588189
Energy: 1.3727888710197798
Energy: 0.8082860027894134
Energy: 1.1189102583959092
Energy: 1.3340221217980741
Energy: 0.9600205117636033
Energy: 1.3340221218004176
Energy: 0.9886828080086805
Energy: 0.9798209160602136
Energy: 1.0279909688105788
Energy: 0.9798210212846576
Energy: 1.0135477720892072
Energy: 1.0921796093273484
Energy: 0.9540580896293904
Energy: 1.092179606311909
Energy: 0.9423128297655687
Energy: 0.8550302760279094
Energy: 0.9877862130979599
Energy: 0.8550302713244118
Energy: 1.0509308849497072
Energy: 0.8556201797092103
Energy: 0.995130497771303
Energy: 0.855621434750638
Energy: 1.018259736615142
Energy: 0.8290617549394691
Energy: 0.9276286559069338
Energy: 0.8290617551112505
Energy: 1.0149427626001515
Energy: 1.1611032252006366
Energy: 0.9770208422796006
Energy: 1.1611032251998552
Energy: 0.9249333346647389
Energy: 0.8634522176055068
Energy: 0.9979238634336038
Energy: 0.8634518596860541
Energy: 0.9211508802148741
Energy: 0.8666976502801748
Energy: 1.0082719646843472
Energy: 0.866697582169433
Energy: 1.0314659992263926
Energy: 1.111346794402355
Energy: 0.9834641276511582
Energy: 1.1113467942626005
Energy: 0.9649853218929343
Energy: 1.121959787939057
Energy: 0.8852062134704887
Energy: 1.121960344827452
Energy: 1.027013415947875
Energy: 0.8396292186847916
Energy: 0.9070664681197548
Energy: 0.8396292435790154
Energy: 0.9092306682783364
Energy: 1.0910371692371548
Energy: 1.1146096056200343
Energy: 1.091037169228562
Energy: 0.9693297279543058
Energy: 1.1655413023140084
Energy: 0.9858862136521874
Energy: 1.1655412943279901
Energy: 0.9786747945863018
Energy: 0.9575819575861647
Energy: 1.0390653659198867
Energy: 0.9575819571856494
Energy: 1.1021215950061307
Energy: 1.0796681294850705
Energy: 0.9502237049595622
Energy: 1.0796681299308921
Energy: 0.9310484997954801
Energy: 0.8610103975887856
Energy: 0.9952085455411132
Energy: 0.86135429203957
Energy: 0.9145131810533631
Energy: 1.11257981440192
Energy: 1.0163826532703575
Energy: 1.1125798144003576
Energy: 1.020765623162102
Energy: 1.2124411144721603
Energy: 0.8933947244446648
Energy: 1.2124411144698168
Energy: 1.0447719306554697
Energy: 1.1161239340259927
Energy: 0.937607801963667
Energy: 1.1161239344147909
Energy: 0.9042050748732188
Energy: 0.9351864209453075
Energy: 0.9194386046899645
Energy: 0.9351864209593681
Energy: 0.95373451180408
Energy: 1.1581540229054024
Energy: 1.042427798928015
Energy: 1.1581528624781736
Energy: 0.884293779698899
Energy: 1.0546394010231708
Energy: 1.0161276394380687
Energy: 1.0546394011926086
Energy: 0.9489078469028275
Energy: 0.9860210401260314
Energy: 0.9798975979702894
Energy: 0.9860210397137281
Energy: 0.8848176369412053
Energy: 1.1423968161057632
Energy: 0.9086891928460011
Energy: 1.1423968153155977
Energy: 0.9592128176302194
Energy: 0.928382129932187
Energy: 0.8476471400256884
Energy: 0.9283821269854885
Energy: 1.078617909784928
Energy: 1.351573909593654
Energy: 0.9349245663280801
Energy: 1.351573909592873
Energy: 0.963132823144581
Energy: 1.3011132373997678
Energy: 1.0738326193971572
Energy: 1.3011132373974241
Energy: 1.1180629020127781
Energy: 0.8697675503152563
Energy: 0.9390173698067709
Energy: 0.8697671743834827
Energy: 0.9742518513575202
Energy: 0.8488350057455324
Energy: 1.1269255499005322
Energy: 0.8488351876040232
Energy: 0.9896896103321935
Energy: 0.8774527940446344
Energy: 0.9602763004421968
Energy: 0.8774527435190684
Energy: 0.9440920581701737
Energy: 1.3177422176157476
Energy: 1.0476877908419997
Energy: 1.3177422176095697

minimum gb energy = 0.8082860027894134 eV
minimum distance =  2.1651925825677 Angstroms
sigma value = 1


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

Energy: 1.060516806143331
Energy: 0.9818819324449153
Energy: 0.8493965285204841
Energy: 0.9818827246716313
Energy: 0.726438872806975
Energy: 1.2878901074860964
Energy: 0.8835885530825293
Energy: 1.287890107475296
Energy: 0.9253787872518395
Energy: 0.8883966684272714
Energy: 1.1906958275699242
Energy: 0.8883967381015213
Energy: 0.8847051937169754
Energy: 1.3080407038178852
Energy: 0.833204307923273
Energy: 1.3080407038178852
Energy: 0.9362416795941085
Energy: 1.0410421426027092
Energy: 1.2098030871625343
Energy: 1.0410421426156702
Energy: 0.9380831281716822
Energy: 1.4065271760365101
Energy: 0.8391077725894902
Energy: 1.4065271760375904
Energy: 0.9153117577377232
Energy: 0.8582128748143332
Energy: 1.0225913086017377
Energy: 0.8582128715756113
Energy: 0.9126123072225274
Energy: 1.1743573560381708
Energy: 0.93720406582831
Energy: 1.1743573560662528
Energy: 0.8383576189062607
Energy: 1.0773724010848127
Energy: 0.9358064590664752
Energy: 1.0773723987140704
Energy: 0.8814346095302685
Energy: 0.9434074981869524
Energy: 1.0034399776254175
Energy: 0.943408684072579
Energy: 0.9117370702820602
Energy: 1.1519925898355536
Energy: 0.9421347764567201
Energy: 1.1519925897481174
Energy: 0.9276765837575037
Energy: 0.9015062231726241
Energy: 0.981093812219841
Energy: 0.901506223072227
Energy: 0.9465325444707132
Energy: 1.3802310762861039
Energy: 0.9084268862246853
Energy: 1.380231076425383
Energy: 0.9330601172464627
Energy: 1.0530946868692552
Energy: 1.134977705920127
Energy: 1.0530959855240647
Energy: 0.8288281519757501
Energy: 1.2005580393991446
Energy: 0.9123329068853934
Energy: 1.2005580394585482
Energy: 0.9278855832753601
Energy: 0.9383154984983347
Energy: 1.200579689613949
Energy: 0.9383154985285765
Energy: 0.8214941691335812
Energy: 1.4658319076616304
Energy: 0.8514204004740833
Energy: 1.4658319076864228
Energy: 1.0605168061444108
Energy: 0.9821436788285615
Energy: 1.3178828396860425
Energy: 0.9821437469676464
Energy: 0.7264388728717297
Energy: 1.2878901048205946
Energy: 0.8835885530825293
Energy: 1.2878901048141143
Energy: 0.9253787872518395
Energy: 0.8883958148185036
Energy: 1.1906958275699242
Energy: 0.888396296948377
Energy: 0.884705184054715
Energy: 1.3080407038178852
Energy: 0.8332043079351047
Energy: 1.3080407038189652
Energy: 0.9362416795941085
Energy: 1.0410421425887175
Energy: 1.03375457924161
Energy: 1.0410421426027092
Energy: 0.9380831281716822
Energy: 1.4065271760203093
Energy: 0.8391077725927305
Energy: 1.4065271760213895
Energy: 0.9153117577377232
Energy: 0.8582128727901444
Energy: 1.0225913086028178
Energy: 0.8582128790884445

minimum gb energy = 0.726438872806975 eV
minimum distance =  2.26624262137468 Angstroms
sigma value = 17


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

Energy: 0.8008919989304694
Energy: 0.7002549926045336
Energy: 1.6099837136485073
Energy: 0.7002550276441704
Energy: 1.1949744638192517
Energy: 0.9513835077373056
Energy: 0.845960059102787
Energy: 0.9513834446242669
Energy: 0.8703028367535416
Energy: 1.0239014720908526
Energy: 1.2273603220374232
Energy: 1.0239014717225383
Energy: 0.9134847291424266
Energy: 1.1805671157765991
Energy: 0.9001445794511823
Energy: 1.1805671157759317
Energy: 0.9647180851202819
Energy: 0.9233415446989055
Energy: 1.1625920170321384
Energy: 0.9233411154863406
Energy: 0.9332416638768891
Energy: 1.1609450581353156
Energy: 0.8635231223663565
Energy: 1.160945058108613
Energy: 0.8111730802743892
Energy: 1.1108928747665878
Energy: 0.8561743755136557
Energy: 1.110892874809919
Energy: 0.8777387450623643
Energy: 1.040428511807504
Energy: 0.8620329807021414
Energy: 1.0404288889730922
Energy: 0.8919505780426418
Energy: 0.9999620641527648
Energy: 0.9183526673569862
Energy: 0.9999620612915155
Energy: 0.8855472757688186
Energy: 1.055920422652423
Energy: 0.8700450211634703
Energy: 1.0559203855175388
Energy: 0.8700328062332751
Energy: 1.2740654342485755
Energy: 0.8726835229416322
Energy: 1.2740654342885689
Energy: 0.8483393335641062
Energy: 0.862701911896447
Energy: 0.8835608372505055
Energy: 0.8627019113006139
Energy: 0.9337572334927464
Energy: 1.2182115525246069
Energy: 0.9007194459874234
Energy: 1.2182115525252746
Energy: 0.936016227128492
Energy: 0.809210025710118
Energy: 0.7755261779579107
Energy: 0.8092074720967649
Energy: 0.8631180505366759
Energy: 1.1071343787702967
Energy: 0.788511932797622
Energy: 1.1071343444532702
Energy: 0.8460300976857348
Energy: 0.8516151192663908
Energy: 1.1521174195867052
Energy: 0.8519462157178848
Energy: 0.8349534386999058
Energy: 1.154932320003102
Energy: 0.9074761992448267
Energy: 1.1549323199990968
Energy: 0.8909915025355878
Energy: 0.9143051857245452
Energy: 0.927212290828006
Energy: 0.9143051848323734
Energy: 0.8260223655583311
Energy: 1.2324165056914858
Energy: 0.8747191345174024
Energy: 1.2324165056888154
Energy: 0.8555609494319727
Energy: 0.9753164611675985
Energy: 1.148424556523963
Energy: 0.9753164611675985
Energy: 1.252157969649785
Energy: 1.0507778936712875
Energy: 0.8487600789690205
Energy: 1.0507778936719552
Energy: 0.8488098420730839
Energy: 0.9923922661493086
Energy: 1.2452114361159856
Energy: 0.9923922007328025
Energy: 1.0856849744817392
Energy: 0.996817838821363
Energy: 0.8388331763477238
Energy: 0.9968178343920616
Energy: 0.81501093673833
Energy: 1.0731265962481478
Energy: 0.9540388785308959
Energy: 1.0731265962481478
Energy: 0.9564858152577289
Energy: 0.7238075923723049
Energy: 0.8887449522883477
Energy: 0.7234554683340491
Energy: 0.8952944531715742
Energy: 0.725803510794903
Energy: 0.8797984731553554
Energy: 0.7258035637281042
Energy: 1.034631052676936
Energy: 1.1628134540653785
Energy: 0.8537765534778182
Energy: 1.1628134540680488
Energy: 0.7993082512760186
Energy: 1.368047187342399
Energy: 0.917836240617753
Energy: 1.3680471873417315
Energy: 0.8071610489263858
Energy: 0.815446031440323
Energy: 0.9130920007980963
Energy: 0.8154460333180046
Energy: 0.851574283613872
Energy: 1.1835951259704274
Energy: 0.907108880326454
Energy: 1.1835951259777708
Energy: 0.8796920263176827
Energy: 0.8224167066968208
Energy: 0.8405643202929136
Energy: 0.8224167069797474
Energy: 0.9100923453372267
Energy: 1.268083153401094
Energy: 0.857705311576076
Energy: 1.2680831533804602
Energy: 0.8522777491950772
Energy: 1.0545227930289982
Energy: 0.9919012808535371
Energy: 1.0545227939932063
Energy: 0.9271132520377187
Energy: 0.9949126055733021
Energy: 0.814280200094489
Energy: 0.9949126091945449
Energy: 0.9067354651986949
Energy: 0.7547465177944587
Energy: 0.8226339760136172
Energy: 0.7547471764350648
Energy: 0.8645171523718851
Energy: 1.0127308549006377
Energy: 0.7895689236770846
Energy: 1.0127308479476935
Energy: 0.8395830863447749
Energy: 1.150261365746415
Energy: 0.9443112985212483
Energy: 1.1502607508386136
Energy: 1.158709571629944
Energy: 0.739011871185531
Energy: 0.881430795274839
Energy: 0.733401146648444

minimum gb energy = 0.7002549926045336 eV
minimum distance =  2.27466522069463 Angstroms
sigma value = 89


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

Energy: 0.8252567726408434
Energy: 0.8492816674003683
Energy: 0.70483877110726
Energy: 0.8492816673532073
Energy: 0.7506424061279614
Energy: 0.6631173904979496
Energy: 0.8154720726531852
Energy: 0.663117390515377
Energy: 0.7958477483699957
Energy: 0.7459436701368967
Energy: 1.7000116302257549
Energy: 0.7459436701368967
Energy: 0.849267860819018
Energy: 0.8377414829437462
Energy: 0.7874224399933616
Energy: 0.8377414829402527
Energy: 0.7986506515612607
Energy: 0.8548966584434646
Energy: 1.2262544430990119
Energy: 0.8548966315283291
Energy: 0.7491936897524426
Energy: 0.8065749688962262
Energy: 0.8183496260878239
Energy: 0.8065749689084529
Energy: 0.8225123363793658
Energy: 0.735756462094106
Energy: 0.7180767348387547
Energy: 0.735756462094106
Energy: 0.9132347427359653
Energy: 0.9576115218298145
Energy: 0.7747652619027318
Energy: 0.9576115204784664
Energy: 0.7957264503502649
Energy: 0.8887549027902111
Energy: 0.9127107401977578
Energy: 0.8887549027186362
Energy: 0.7151210024501995
Energy: 1.1373966032157192
Energy: 0.836100617603957
Energy: 1.1373966021960846
Energy: 0.7986569263865593
Energy: 0.7106692740801142
Energy: 0.7840103651947297
Energy: 0.710669271251735
Energy: 0.7577050644850214
Energy: 0.7408651111404819
Energy: 0.8031916571229933
Energy: 0.7408651111422284
Energy: 0.7919234634635082
Energy: 1.1487032649174014
Energy: 0.9062861217141163
Energy: 1.1487032649139077
Energy: 0.795807032823687
Energy: 0.902915527012728
Energy: 0.7662723637937956
Energy: 0.902915527012728
Energy: 0.9060935338702925
Energy: 0.8332631347057924
Energy: 0.7925823067295633
Energy: 0.8332631610936635

minimum gb energy = 0.6631173904979496 eV
minimum distance =  2.30266240026948 Angstroms
sigma value = 13


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

Energy: 0.5370376311347816
Energy: 1.051366483169603
Energy: 1.1888957597062946
Energy: 1.0513664831681389
Energy: 1.0975283411558636
Energy: 0.911072725239209
Energy: 0.6979417060701494
Energy: 0.9110727554324225
Energy: 0.6424880013808935
Energy: 1.109245748698113
Energy: 1.037606928306115
Energy: 1.109245748698845
Energy: 0.8342358504125402
Energy: 0.9546537017382836
Energy: 0.7001167015094294
Energy: 0.9546537051220069
Energy: 0.6371383575324406
Energy: 1.157406182571255
Energy: 1.0681125574729298
Energy: 1.1574061826188422
Energy: 0.9350273369842828
Energy: 0.757139709224737
Energy: 0.6105172022465989
Energy: 0.7571397020467124
Energy: 0.6415349534924044
Energy: 1.187462677969001
Energy: 1.1933055810007036
Energy: 1.1874626779792503
Energy: 0.7413489639220916
Energy: 0.9859909097236534
Energy: 0.6366022773518737
Energy: 0.9859909088850602
Energy: 0.6411859594614424
Energy: 1.035278381161396
Energy: 0.9443806243700202
Energy: 1.0352783811584676
Energy: 0.9498586089804805
Energy: 1.1420818196427434
Energy: 0.7050079481791026
Energy: 1.1420818196420115
Energy: 0.6372265329538415
Energy: 0.7540376692766471
Energy: 0.7244871870168004
Energy: 0.754037671432497
Energy: 0.9701848286999549
Energy: 0.7938932519982186
Energy: 0.6791018529770912
Energy: 0.793932838338976
Energy: 0.5420234184941901
Energy: 0.9665411638660246
Energy: 0.7583665418325173
Energy: 0.966510040608966
Energy: 1.0160199736921995
Energy: 0.7430084893223703
Energy: 0.7026527792717921
Energy: 0.7430084908444833
Energy: 0.6317792785286044
Energy: 1.0500844210134626
Energy: 0.725989427363104
Energy: 1.050084419602563
Energy: 0.6974378770284003
Energy: 0.7797412436050243
Energy: 0.6811221644544457
Energy: 0.779741243578003
Energy: 0.6929131311182498
Energy: 1.1749615444021935
Energy: 0.6856714466795416
Energy: 1.1749615444007293
Energy: 0.699489986696787
Energy: 1.0178241283919272
Energy: 0.6211377287946543
Energy: 1.0178241298525434
Energy: 0.6820556411726875
Energy: 1.1343098066511348
Energy: 0.6001650609859122
Energy: 1.1343097248842429
Energy: 0.7095805954891073
Energy: 1.1616824450562373
Energy: 0.6355102380242623
Energy: 1.1616824450525765
Energy: 0.6774650076791391
Energy: 1.0335995949478043
Energy: 0.617153211009067
Energy: 1.033599594952197
Energy: 0.6939780016625046
Energy: 0.829150609224585
Energy: 0.6829958051536079
Energy: 0.8291506074046381
Energy: 0.6970208578038377
Energy: 0.7642749021536941
Energy: 0.6755665149889543
Energy: 0.7642749010970001
Energy: 0.6427305059927968
Energy: 1.0370982247742493
Energy: 0.7119923139230026
Energy: 1.037098224773517
Energy: 1.0152861215534505
Energy: 0.7450993939383834
Energy: 0.6861806167398095
Energy: 0.7450993943759827
Energy: 0.5666106018768899
Energy: 1.0155091472285724
Energy: 0.7383599043233131
Energy: 1.0155091472402862
Energy: 0.9715585879801633
Energy: 1.098011239521254
Energy: 0.6835128676465191
Energy: 1.0980112394992911
Energy: 0.6404355140839629
Energy: 0.7402799243010272
Energy: 0.7163278482370053
Energy: 0.740279924934764
Energy: 0.9555036065463782
Energy: 0.8017678898724352
Energy: 0.7044631407086784
Energy: 0.8017678893411265
Energy: 0.6398185475612455
Energy: 1.0137970607208628
Energy: 0.8503700800792259
Energy: 1.0137970607457545
Energy: 0.7693143655182085
Energy: 0.942319238059722
Energy: 0.6207346367430414
Energy: 0.9423192380999212
Energy: 0.6469444497223893
Energy: 1.0371301361130607
Energy: 0.9956815753574001
Energy: 1.0371301368492258
Energy: 0.7125372592124831
Energy: 0.7624858136650924
Energy: 0.6245907083121355
Energy: 0.7624858132977752
Energy: 0.6365134516692409
Energy: 1.10913332884689
Energy: 1.0396482122661588
Energy: 1.1091333289434615
Energy: 0.9826923416960066
Energy: 0.9287057764319318
Energy: 0.6982569321563407
Energy: 0.9287057764033797

minimum gb energy = 0.5370376311347816 eV
minimum distance =  2.16165269535476 Angstroms
sigma value = 37


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

Energy: 0.6342894543633625
Energy: 0.608500934584883
Energy: 1.1117339071062076
Energy: 0.6085009352735481
Energy: 1.1163091447748525
Energy: 0.804260264793433
Energy: 0.6145901470968221
Energy: 0.8042602647922021
Energy: 0.8056439106433134
Energy: 1.0166057267388202
Energy: 1.1393947766636012
Energy: 1.016605723000843
Energy: 0.688566872540194
Energy: 0.6436879712351011
Energy: 0.5434123723043802
Energy: 0.6436879712527349
Energy: 0.5773443177004135
Energy: 0.8153644856528524
Energy: 0.7244684733645868
Energy: 0.8153644863780447
Energy: 0.6705048505661773
Energy: 0.9485155038457078
Energy: 0.8198228909010024
Energy: 0.9485153485654463
Energy: 0.5933819064385247
Energy: 1.1413408283645181
Energy: 0.9382038703820693
Energy: 1.1413408283657775
Energy: 0.5573115529784919
Energy: 0.4473979567178624
Energy: 0.45375338561218587
Energy: 0.4473979567178624
Energy: 0.6099352318018463
Energy: 0.841023662598518
Energy: 1.048661330654612
Energy: 0.8410236625997777
Energy: 1.0918958927162714
Energy: 0.8882311449382819
Energy: 0.8208170970682571
Energy: 0.8882311162405806
Energy: 0.5582264742189935
Energy: 0.9523488214060231
Energy: 0.6989297909195943
Energy: 0.9523488214110614
Energy: 0.9105904509973365
Energy: 0.8209033840858319
Energy: 0.5257072350490806
Energy: 0.8209033831831271
Energy: 0.7312519341154385
Energy: 0.9842629585382539
Energy: 0.8107327190566094
Energy: 0.9842629585470708
Energy: 0.9303396642087917
Energy: 1.0953596224681417
Energy: 0.6180334051380756
Energy: 1.0953596224694013
Energy: 0.6278328400111359
Energy: 0.6088609457697681
Energy: 0.5957011484024941
Energy: 0.608860950025196
Energy: 0.6540268748712557
Energy: 0.8016260591353218
Energy: 0.6014497913713447
Energy: 0.8016260596892711
Energy: 0.7932371474202212
Energy: 1.0946967879875569
Energy: 0.6822827527896569
Energy: 1.094696788012748
Energy: 0.667535274099421
Energy: 0.9543331362918501
Energy: 0.5656410373495808
Energy: 0.9543331362968883
Energy: 0.5462253357995857
Energy: 0.5075715080400843
Energy: 0.5430027821490186
Energy: 0.5075715288790965
Energy: 0.5632273130045768
Energy: 0.7847486580881083
Energy: 0.7347507672704833
Energy: 0.7847486578816262

minimum gb energy = 0.4473979567178624 eV
minimum distance =  2.25370659414247 Angstroms
sigma value = 25


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

Energy: 0.20260597336936842
Energy: 0.978348848427142
Energy: 1.0415342725257908
Energy: 0.9783488484320597
Energy: 1.1544050066638234
Energy: 0.8141140479830559
Energy: 0.364109256448147
Energy: 0.814114047386308
Energy: 0.3127690590316983
Energy: 0.29529085493246426
Energy: 1.4034109356329725
Energy: 0.29529085495508595
Energy: 0.677594867739309
Energy: 0.5501769984808815
Energy: 0.32091461762461504
Energy: 0.5501769984612105
Energy: 0.3078515916709137
Energy: 0.8585743483484416
Energy: 0.504508301394407
Energy: 0.858574344836758
Energy: 0.4694705140133129
Energy: 0.8231166856588265
Energy: 0.3096154419341236
Energy: 0.8231166856548923
Energy: 0.3281946971828756
Energy: 0.570692264544862
Energy: 0.753189367444006
Energy: 0.5706922224527655
Energy: 0.5874986829520817
Energy: 0.5204904489282275
Energy: 0.32878734282467464
Energy: 0.5204904489705202
Energy: 0.32550664360124704
Energy: 0.8031497724310086
Energy: 1.0213339054552506
Energy: 0.803149758214165
Energy: 0.4909199487532476
Energy: 0.9395701889292878
Energy: 0.22410267402920253
Energy: 0.9395701889479753
Energy: 0.3305017521882088
Energy: 0.6106103332691704
Energy: 0.8588846597550188
Energy: 0.6106103333910415
Energy: 0.9098705940544595
Energy: 0.8144603261008999
Energy: 0.31356666325551913
Energy: 0.8144603261186038
Energy: 0.31266658301546896
Energy: 0.31543227416401365
Energy: 0.8556693617690564
Energy: 0.31543798560666614
Energy: 0.7996487355108781
Energy: 0.9752500743551693
Energy: 0.3265583383214069
Energy: 0.9752500743541858
Energy: 0.3239726063174463
Energy: 0.6219117970605844
Energy: 0.48970512255215165
Energy: 0.6219117239610683
Energy: 0.7342576733989793
Energy: 0.8226520867343541
Energy: 0.33637537000626583
Energy: 0.822652086567195
Energy: 0.3195730894998433
Energy: 0.21615540670927216
Energy: 0.543602252346828
Energy: 0.21615541476295463
Energy: 0.5051888825690607
Energy: 0.8769696152895351
Energy: 0.2997108400760704
Energy: 0.8769696152934692
Energy: 0.2282520080446302
Energy: 0.9567786071126823
Energy: 0.4926126382720253
Energy: 0.9567786071117436
Energy: 0.8676001691430968
Energy: 0.832993304433124
Energy: 0.3325981668678054
Energy: 0.8329932992865535
Energy: 0.307298965688205
Energy: 0.8215080157405519
Energy: 0.6010986071492002
Energy: 0.8215080157592395
Energy: 0.34978765061823314
Energy: 0.5470890271105495
Energy: 0.2830170266728295
Energy: 0.5470890267703745
Energy: 0.32904683021685693
Energy: 0.6358711631076506
Energy: 0.7794128148491735
Energy: 0.6358711633986479
Energy: 0.4837187913822823
Energy: 0.7610512450953095
Energy: 0.31981808993574795
Energy: 0.7610512451119852
Energy: 0.3458622134500261
Energy: 0.8409466977470114
Energy: 0.7399478367823198
Energy: 0.8409466977499621
Energy: 0.483415906592121
Energy: 0.5002840050947617
Energy: 0.31358609105414675
Energy: 0.5002840226984223

minimum gb energy = 0.20260597336936842 eV
minimum distance =  2.27329161943168 Angstroms
sigma value = 41


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

Energy: 0.7314964411018227
Energy: 0.6882944650954828
Energy: 0.9543655888978907
Energy: 0.6882944650954828
Energy: 1.1592929323726875
Energy: 0.78394275584529
Energy: 0.31059460435459724
Energy: 0.7839427558541601
Energy: 0.09496075818716603
Energy: 0.8143821768083639
Energy: 1.127498545530549
Energy: 0.8143821768099767
Energy: 0.7437353910126666
Energy: 0.7820172101679652
Energy: 0.3126337746873455
Energy: 0.7820172101687717
Energy: 0.29789476869466763
Energy: 0.5518193889850643
Energy: 0.42051998900707405
Energy: 0.5518193824629636
Energy: 0.6066161403930516
Energy: 0.7520081139614285
Energy: 0.3120979072816907
Energy: 0.7520081139138906
Energy: 0.3098123619945906
Energy: 0.7098862648511733
Energy: 0.35744214972038924
Energy: 0.7098862647423525
Energy: 0.42131146776710365
Energy: 0.08684050201509713
Energy: 0.3144244791557987
Energy: 0.0868407106892224
Energy: 0.3061588564388799
Energy: 0.6897306670941163
Energy: 0.958179866161082
Energy: 0.6897306672021309
Energy: 0.6977106313704974
Energy: 0.8238515532705804
Energy: 0.12946497158898607
Energy: 0.8238515532705804
Energy: 0.31568381969113884
Energy: 0.737097549039079
Energy: 0.8711739579098384
Energy: 0.7370975477228935
Energy: 0.38252923433764197
Energy: 0.6406691128188544
Energy: 0.7634394481913922
Energy: 0.6406695812300092
Energy: 0.3182226320884747
Energy: 0.7745538479020625
Energy: 1.0735799561160706
Energy: 0.7745538477996927
Energy: 0.7588898525048474
Energy: 0.7737250344799143
Energy: 0.11983754460360946
Energy: 0.7737250344799143
Energy: 0.29993651659137344
Energy: 0.5701288670265108
Energy: 0.7884748143473569
Energy: 0.5701288670248982
Energy: 0.6658477856461944
Energy: 0.684523927747594
Energy: 0.3149363945829678
Energy: 0.6845235931692344
Energy: 0.3166294619264907
Energy: 0.7298055986694926
Energy: 0.7365686748675928
Energy: 0.7298055986767497
Energy: 0.6438279053254999
Energy: 0.7757814269857058
Energy: 0.31649018981839705
Energy: 0.7757813643503384
Energy: 0.31508516834920264
Energy: 0.07802434151742871
Energy: 0.42127368413522087
Energy: 0.07802427964534607
Energy: 0.5178471733691759
Energy: 0.7379038456612416
Energy: 0.31779719127860634
Energy: 0.737903845828083
Energy: 0.07894647549551698
Energy: 0.793874528326501
Energy: 0.44524383297359477
Energy: 0.7938745289261699
Energy: 0.8975231543451497
Energy: 0.7432314573733457
Energy: 0.3092501236926655
Energy: 0.7432314571823504
Energy: 0.7488397255592597
Energy: 0.7120648580537934
Energy: 0.3969359483900851
Energy: 0.7120648580610506
Energy: 0.6262185680676232
Energy: 0.7621097717010646
Energy: 0.3271340383163376
Energy: 0.7621097711997339
Energy: 0.1237746702895417
Energy: 0.7669825719097616
Energy: 0.4926108380002315
Energy: 0.7669825718984726
Energy: 0.8151369567191138
Energy: 0.7540361219161134
Energy: 0.31701147998068463
Energy: 0.7540361207852788
Energy: 0.3112564940502893
Energy: 0.7194242779261244
Energy: 0.6662024874494734
Energy: 0.7194242779253182
Energy: 0.33330003735646857
Energy: 0.7494338473507705
Energy: 0.32034229587773116
Energy: 0.7494338519707247
Energy: 0.31189615179068464
Energy: 0.8134624696772809
Energy: 0.6455656428688473
Energy: 0.8134624696805062
Energy: 0.4058790388602438
Energy: 0.4063670663872241
Energy: 0.3120358360258296
Energy: 0.4063671717902284
Energy: 0.33006710133591766
Energy: 0.6915895802646191
Energy: 0.46886562776871904
Energy: 0.6915895803057431
Energy: 0.40152088945053427
Energy: 0.7875439299041044
Energy: 0.13878855660918596
Energy: 0.7875439297824186

minimum gb energy = 0.07802427964534607 eV
minimum distance =  2.23587085531816 Angstroms
sigma value = 15


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

Energy: 0.5689642223410819
Energy: 0.7230951627783317
Energy: 0.8550116690913602
Energy: 0.7230951628281975
Energy: 1.0758875758413253
Energy: 0.7372967671650156
Energy: 0.15315214080849485
Energy: 0.7372967671650156
Energy: 0.02875664850281173
Energy: 0.5894689285593395
Energy: 1.1162402955704567
Energy: 0.5894689272074364
Energy: 0.7774390373148354
Energy: 0.655277758166126
Energy: 0.1564530655494952
Energy: 0.6552777582043792
Energy: 0.15673460154760496
Energy: 0.7614129144301404
Energy: 0.34153671724294454
Energy: 0.7614129144308235
Energy: 0.6513471319439574
Energy: 0.6673404883728378
Energy: 0.14521790943863933
Energy: 0.6673404884233866
Energy: 0.1566595738940426
Energy: 0.49852190823876197
Energy: 0.28850427008028323
Energy: 0.49852234656588923
Energy: 0.5125832620085561
Energy: 0.2698788032402428
Energy: 0.15968009734609334
Energy: 0.26991516865806076
Energy: 0.12480076035670991
Energy: 0.6825584390445081
Energy: 0.5725891741833894
Energy: 0.6825584390479235
Energy: 0.328465830136702
Energy: 0.6521331493755097
Energy: 0.15789808148667117
Energy: 0.6521331458454713
Energy: 0.15292586395919447
Energy: 0.671184722710728
Energy: 0.8402274434777421
Energy: 0.6711847227100448
Energy: 0.5768412474382711
Energy: 0.5961623426522105
Energy: 0.05670557423085493
Energy: 0.5961623426658103
Energy: 0.16943154094047175
Energy: 0.702931174686407
Energy: 1.0298539822136623
Energy: 0.7029311747178293
Energy: 0.35132936358958183
Energy: 0.759467271244265
Energy: 0.5318298226188282
Energy: 0.759467271428638
Energy: 0.15134944308940249
Energy: 0.6782107439222579
Energy: 0.9087221455843623
Energy: 0.6782107438990328
Energy: 0.6440080060826052
Energy: 0.6089582239375139
Energy: 0.0802458515667793
Energy: 0.6089582237135214
Energy: 0.1821097563657415
Energy: 0.7046989169874881
Energy: 0.886753740929487
Energy: 0.7046989169963062
Energy: 0.5634749398324478
Energy: 0.7498909631072443
Energy: 0.15641954832496135
Energy: 0.7498909631099767
Energy: 0.17891954622845135
Energy: 0.6737648030266133
Energy: 0.6510162828155406
Energy: 0.6737648030293457
Energy: 0.539810899227808
Energy: 0.6041550760206533
Energy: 0.15223224580918693
Energy: 0.604155076032949
Energy: 0.16144785479277493
Energy: 0.6259297527844812
Energy: 0.6619470475852458
Energy: 0.6259297527844812
Energy: 0.4543554866566705
Energy: 0.6460348851367956
Energy: 0.15701750681293325
Energy: 0.646034885140211
Energy: 0.14764590930121743
Energy: 0.661547893144563
Energy: 0.33628369705335703
Energy: 0.6615478931466123
Energy: 0.8548433498743828
Energy: 0.6207593889799776
Energy: 0.1567612333305856
Energy: 0.6207593884869708
Energy: 0.04090754714392969
Energy: 0.6625680180916529
Energy: 0.3876594267223023
Energy: 0.662568017678568
Energy: 0.7029385186274453
Energy: 0.7156872446103761
Energy: 0.1778981235319947
Energy: 0.7156872446021789
Energy: 0.49792476158908056
Energy: 0.7300820156123099
Energy: 0.34630524727947776
Energy: 0.7300820156519293
Energy: 0.8834670258220516
Energy: 0.6714044809322218
Energy: 0.14976686288053584
Energy: 0.6714044809342711
Energy: 0.0562344933781004
Energy: 0.6481857426193465
Energy: 0.40795861958992213
Energy: 0.6481857426077339
Energy: 0.5845083704724661
Energy: 0.7236607379519595
Energy: 0.1649749491503265
Energy: 0.7236607379519595
Energy: 0.1571484383517799
Energy: 0.7379009612043153
Energy: 0.555609421316784
Energy: 0.7379009612043153
Energy: 0.6456226354926636
Energy: 0.6884029228998043
Energy: 0.19231434274987935
Energy: 0.688402922626008
Energy: 0.1364827872587622
Energy: 0.5996027455803155
Energy: 0.5483789412387865
Energy: 0.5996027456404277
Energy: 0.2562411662802728
Energy: 0.6460613595188751
Energy: 0.14615430991038006
Energy: 0.6460613595202412
Energy: 0.20654835986476838
Energy: 0.6921992274966846
Energy: 0.453123539800807
Energy: 0.6921992277111138
Energy: 0.3493852230614792
Energy: 0.6709070195139417
Energy: 0.1658520006542744
Energy: 0.6709070198532526
Energy: 0.15631689644803448
Energy: 0.6087431578243266
Energy: 0.8219750148727132
Energy: 0.6087431578291083

minimum gb energy = 0.02875664850281173 eV
minimum distance =  2.26374990256851 Angstroms
sigma value = 85


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

Energy: 0.4485578345863628
Energy: 0.5737977511118512
Energy: 0.40345746184833897
Energy: 0.5738061871391061
Energy: 1.0313628685964646
Energy: 0.49966670964588894
Energy: 0.11503076061973927
Energy: 0.4996667101101525
Energy: 0.4627126564660192
Energy: 0.4633239824591799
Energy: 0.5670057618027473
Energy: 0.46332397911510825
Energy: 0.7082907074742647
Energy: 0.5349951112825805
Energy: 0.0991355199093281
Energy: 0.5349951113329117
Energy: 0.09744771377555152
Energy: 0.48522353551902986
Energy: 0.24386465044119499
Energy: 0.48522353545211017
Energy: 0.593725514033262
Energy: 0.5476971887183922
Energy: 0.0911587740074727
Energy: 0.5476971886597398
Energy: 0.10844298397402992
Energy: 0.4854463239634007
Energy: 0.17416043286438487
Energy: 0.48544632413394484
Energy: 0.47426819373966006
Energy: 0.5514520384721376
Energy: 0.12214121254887941
Energy: 0.5514520354946297
Energy: 0.09093085052747275
Energy: 0.47717171719051693
Energy: 0.39154146003441176
Energy: 0.4771717171804722
Energy: 0.39881941047439723
Energy: 0.523513337488873
Energy: 0.09872307749864494
Energy: 0.5235133374924277
Energy: 0.10393730054543268
Energy: 0.5332810785791463
Energy: 0.6424430609359278
Energy: 0.5332810668592094
Energy: 0.20513684748809818
Energy: 0.5386315553476559
Energy: 0.10171065683322832
Energy: 0.5386315553245504
Energy: 0.10566150388834597
Energy: 0.4566262637988473
Energy: 0.9186168115653952
Energy: 0.45662626379943977
Energy: 0.2853702632390412
Energy: 0.5056503774453865
Energy: 0.4618854773562882
Energy: 0.505650377658587
Energy: 0.09326967697894835
Energy: 0.5276072112698998
Energy: 0.8326806866437532
Energy: 0.5276072112704923
Energy: 0.2321939918080236
Energy: 0.5947813635732548
Energy: 0.4570995231112577
Energy: 0.5947813635685152
Energy: 0.10847768661225386
Energy: 0.31705639417468634
Energy: 0.9297628296930386
Energy: 0.3170563941142836
Energy: 0.5296024856385458
Energy: 0.4763543882564472
Energy: 0.460797424701501
Energy: 0.476354387816447
Energy: 0.09285408453737302
Energy: 0.5330860463501866
Energy: 0.7088168643350841
Energy: 0.5330860462423881
Energy: 0.4237654288208923
Energy: 0.5900973861725789
Energy: 0.08909502323178774
Energy: 0.5900973861666546
Energy: 0.11484033697867205
Energy: 0.3074010407298597
Energy: 0.6867770016311909
Energy: 0.3074013806770773
Energy: 0.40781703493800286
Energy: 0.48644957601134553
Energy: 0.09359984463311745
Energy: 0.4864495760587145
Energy: 0.08367520449388963
Energy: 0.5357711106720267
Energy: 0.5587101072600075
Energy: 0.535771110540557
Energy: 0.33891733388574624
Energy: 0.5463071366938047
Energy: 0.10508518474223702
Energy: 0.5463071389630413
Energy: 0.09854745935842013
Energy: 0.0998968972181532
Energy: 0.46345898396872864
Energy: 0.09989384449799613
Energy: 0.635294496213396
Energy: 0.4943325890110346
Energy: 0.10454226383609182
Energy: 0.4943325890015554
Energy: 0.0933052016423109
Energy: 0.5324696944843196
Energy: 0.22306580986629346
Energy: 0.5324699325763504
Energy: 0.6167063166840417
Energy: 0.5834997458634611
Energy: 0.09065978745050432
Energy: 0.5834997458575636
Energy: 0.4095588854101544
Energy: 0.29084949254451214
Energy: 0.27622866745197494
Energy: 0.2908494860790485
Energy: 0.8273982045338164
Energy: 0.50681803229897
Energy: 0.10620307744505852
Energy: 0.506818032362335
Energy: 0.42685423877429396
Energy: 0.5825058439872944
Energy: 0.23608471994258032
Energy: 0.582505843911488
Energy: 0.6486166485756923
Energy: 0.5849571274147196
Energy: 0.11682332152921499
Energy: 0.5849571274620884
Energy: 0.45099204344473337
Energy: 0.2900709951284828
Energy: 0.3224415358342819
Energy: 0.29007099526881214
Energy: 0.7089685269619298
Energy: 0.5230411608055443
Energy: 0.0764669107921792
Energy: 0.5230411588305925
Energy: 0.10056564679688218
Energy: 0.5535453444921989
Energy: 0.3955543470477542
Energy: 0.5535453445010856
Energy: 0.4422481512411249
Energy: 0.5752258941195381
Energy: 0.10794540386119585
Energy: 0.5752258941219078
Energy: 0.07241053200725525
Energy: 0.5078666902704356
Energy: 0.40340687888714494
Energy: 0.507866690277545
Energy: 0.4985654423901868
Energy: 0.5411718689219326
Energy: 0.1247680399466436
Energy: 0.541171915936085
Energy: 0.10068335160128408
Energy: 0.5989090790096696
Energy: 0.33430579194070653
Energy: 0.5989090794301188
Energy: 0.18219815813697274
Energy: 0.5489968684482797
Energy: 0.1035533750170432
Energy: 0.5489968684512418
Energy: 0.10296581197891012
Energy: 0.5276329835196737
Energy: 0.6558486155593167
Energy: 0.5276329835178963
Energy: 0.2129286376898447
Energy: 0.5795965174565678
Energy: 0.09295079906243342
Energy: 0.5795965174488659
Energy: 0.09933228567449198
Energy: 0.5760174837671983
Energy: 0.5951898605725464
Energy: 0.5760174833384547

minimum gb energy = 0.07241053200725525 eV
minimum distance =  2.24016765017063 Angstroms
sigma value = 113


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

Energy: 0.019079701156830508
Energy: 0.056291019689072096
Energy: 0.1588057324776815
Energy: 0.056291019688161206
Energy: 0.09176518298680174
Energy: -0.7329876048704871
Energy: -0.6790407871835705
Energy: -0.7330130912379166
Energy: 0.019079701156830508
Energy: 0.056291019689072096
Energy: 0.1588057324807684
Energy: 0.056291019688616654
Energy: 0.0917651829863463
Energy: -0.7347066167259332
Energy: -0.6790407875062773
Energy: -0.7318563823397947
Energy: 0.019079701156830508
Energy: 0.056291019689072096
Energy: 0.15880573247813692
Energy: 0.056291019689072096
Energy: 0.09176518298497996
Energy: -0.7331621352855605
Energy: -0.6790407876451366
Energy: -0.743903712590455

minimum gb energy = -0.743903712590455 eV
minimum distance =  2.45363847097046 Angstroms
sigma value = 1