Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ag__MO_111986436268_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.073291137814522
cohesive_energy=3.00442488504709
mass=107.8682
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.196636888755188e-19, 1.7279955650680198e-19, 2.1497365204358398e-19, 2.5037694912508198e-19, 2.8086957482337e-19, 3.07539407072934e-19, 3.31080188356296e-19, 3.51996604313166e-19, 3.7062831638995196e-19, 3.87241285907898e-19, 4.0205180671259394e-19, 4.15231311703878e-19, 4.2691758807227397e-19, 4.3722599253543e-19, 4.46259064397922e-19, 4.54106525551254e-19, 4.60835667414054e-19, 4.66512179228316e-19, 4.71193739352864e-19, 4.749364239698879e-19, 4.77783491848506e-19, 4.797717930512999e-19, 4.809413819941199e-19, 4.813243022096459e-19, 4.809205536978779e-19, 4.79593951444926e-19, 4.77161847314514e-19, 4.73407947461052e-19, 4.680759036230999e-19, 4.60854893533662e-19, 4.51366803507114e-19, 4.39145400142962e-19, 4.23621910736136e-19, 4.04107399334016e-19, 3.79704647021562e-19, 3.4929853886150995e-19, 3.1148717029911e-19, 2.64460081737942e-19, 2.0589892358860798e-19, 1.327289586727986e-19, 4.0898442500791196e-20, -7.506421835018759e-20, -2.22609625881228e-19, -4.12190380452546e-19, -6.586403946476939e-19, -9.83617892205084e-19, -1.4196166174388698e-18, -2.01707629514064e-18, -2.8574019179072994e-18, -4.0786610571738e-18, -5.92986400539642e-18, -8.89578134672454e-18, -1.402474929631704e-17, -2.3940684571208397e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.009126160679865238
Energy: 0.5987355390456168
Energy: 0.009478495842787637
Energy: 0.00936317521951699
Energy: 0.5985936363629423
Energy: 0.00931719128469218
Energy: 0.5987355390453835
Energy: 0.1204867656770406
Energy: 0.12057104175523477
Energy: 0.12076971040697011
Energy: 0.12019053508436794
Energy: 0.12059185164486934
Energy: 0.009478495841813322
Energy: 0.12057104175644236
Energy: 0.12083383876735608
Energy: 0.009502341083476432
Energy: 0.12067863197789473
Energy: 0.12085918287487218
Energy: 0.00936317521926998
Energy: 0.12076971040673683
Energy: 0.009502341082996135
Energy: 0.009371495281432914
Energy: 0.12064458443059486
Energy: 0.009241961172521537
Energy: 0.598593636362709
Energy: 0.12019053508412093
Energy: 0.12067863197644013
Energy: 0.12064458443034785
Energy: 0.12015066808127348
Energy: 0.1205856502524369
Energy: 0.00931719128493919
Energy: 0.12059185164462233
Energy: 0.12085918287487218
Energy: 0.009241961173001833
Energy: 0.1205856502536445
Energy: 0.009229316896572689

minimum gb energy = 0.009126160679865238 eV
minimum distance =  2.87866936096679 Angstroms
sigma value = 1


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

Energy: 1.6685877575449763
Energy: 0.9278441254227008
Energy: 0.9668719167833384
Energy: 0.9035650769595118
Energy: 0.9293541650156862
Energy: 0.9680112626308276
Energy: 1.4810974478504897
Energy: 0.9007303158965098
Energy: 0.8970138517435087
Energy: 0.8948778947831052
Energy: 0.9029753449594501
Energy: 0.8962379813965065
Energy: 0.8271947746185346
Energy: 0.902083431092628
Energy: 0.9003934771481241
Energy: 0.9384953876382395
Energy: 0.9080741100742966
Energy: 0.9065035092195372
Energy: 1.605417231111909
Energy: 0.9028728821898717
Energy: 0.9257850557340059
Energy: 0.9047404336686173
Energy: 0.8959519740677256
Energy: 0.9250115444781781
Energy: 1.4707290803620205
Energy: 0.9104055230831124
Energy: 0.9076592159739956
Energy: 0.8940653734876977
Energy: 0.900479136887919
Energy: 0.9063469477312733
Energy: 1.4466116884017648
Energy: 0.907546939339414
Energy: 0.9292856861173788
Energy: 0.9275715717262054
Energy: 0.8966121625501065
Energy: 0.928434387175925
Energy: 1.4463188449461244
Energy: 0.9308969022416341
Energy: 0.9293172699650617
Energy: 0.9202700154903608
Energy: 0.9020935655312302
Energy: 0.9282675715695858
Energy: 1.3567178192159666
Energy: 0.9147931243425269
Energy: 0.9372000494876366
Energy: 0.835607130416809
Energy: 0.9196916142538584
Energy: 0.9295197799261653
Energy: 1.1765782635831847
Energy: 0.9261652371931385
Energy: 0.9215553903927697
Energy: 0.8964417812408916
Energy: 0.9282446905634301
Energy: 0.9265708527515291
Energy: 1.1742575146412988
Energy: 0.8976246049707698
Energy: 0.9050788811877049
Energy: 0.9016081134956776
Energy: 0.8942564580095638
Energy: 0.9063282311534323
Energy: 1.099050801742955
Energy: 0.9132498376482604
Energy: 0.8982024225354442
Energy: 0.9233730959566382
Energy: 0.9127631558089816
Energy: 0.9040541220363052
Energy: 0.9934514848453295
Energy: 0.9055427564911983
Energy: 0.9067209618971283
Energy: 0.9020289940361981
Energy: 0.920750937582648
Energy: 0.9000093521160616
Energy: 0.9936763998392302
Energy: 0.894772738720462
Energy: 0.8948768121763482
Energy: 0.9039614892421557
Energy: 0.895310540514576
Energy: 0.8970605489071004
Energy: 1.068683842200279
Energy: 0.904070012248501
Energy: 0.907637014660883
Energy: 0.9291429809025527
Energy: 0.902823087820443
Energy: 0.8943786686671515
Energy: 1.047229413012843
Energy: 0.8941745638956572
Energy: 0.8963703160623337
Energy: 0.9042355580070048
Energy: 0.894411629934439
Energy: 0.9052355059113458
Energy: 1.047492284379274
Energy: 0.9309758666745179
Energy: 0.8577218592596396
Energy: 0.9069523283275539
Energy: 0.9394530276208164
Energy: 0.9202936324902538
Energy: 1.3592806709051954
Energy: 0.9198473769828892
Energy: 0.9268182218130823
Energy: 0.9020566268131447
Energy: 0.9181772821836768
Energy: 0.9197192671576276
Energy: 1.3191101038294146
Energy: 0.9309565407359338
Energy: 0.9322184678798203
Energy: 0.8589296341909497
Energy: 0.920265467254259
Energy: 0.9392912300263999
Energy: 1.3196137778423507
Energy: 0.9326476287396448
Energy: 0.9393356378110506
Energy: 0.9204931052000784
Energy: 0.9310015868982764
Energy: 0.9408642023810849
Energy: 1.363360289722361
Energy: 0.9312619812306433
Energy: 0.9407734902564291
Energy: 0.9214001408375673
Energy: 0.9214753619736608
Energy: 0.9410566918906995
Energy: 1.5061272431384058
Energy: 0.9031448352020528
Energy: 0.9150994263377494
Energy: 0.9141790052237022
Energy: 0.9070066253158292
Energy: 0.9143618860516145
Energy: 1.330331179911009
Energy: 0.9032082028168905
Energy: 0.9204356682838352
Energy: 0.9363726806847589
Energy: 0.9071697908547637
Energy: 0.9313201584975808
Energy: 1.5099356264342685
Energy: 0.9005994988159802
Energy: 0.8965353986777883
Energy: 0.8721920206356455
Energy: 0.9037550266377292
Energy: 0.8959577475045748

minimum gb energy = 0.8271947746185346 eV
minimum distance =  2.69386506714985 Angstroms
sigma value = 33


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

Energy: 2.0573420412925296
Energy: 0.9948579261930748
Energy: 1.0094498114633652
Energy: 1.03283762547622
Energy: 0.9949857868669278
Energy: 1.0652126012633367
Energy: 1.4576404335900504
Energy: 0.9804849408490854
Energy: 0.9461915660678579
Energy: 0.9610682061833231
Energy: 0.9910928549630535
Energy: 0.9530040806965219
Energy: 1.4598618803825134
Energy: 0.961914144716206
Energy: 0.9881830426949316
Energy: 1.0359315175770767
Energy: 0.9727791017614758
Energy: 1.0088927304397612
Energy: 1.5878320107681538
Energy: 1.0167131894015304
Energy: 0.9878779576288292
Energy: 1.0167198278109941
Energy: 1.0038423065663413
Energy: 1.0258064710277197
Energy: 1.4583344765993873
Energy: 0.9468057267648413
Energy: 0.9519253330955797
Energy: 0.9728420935169281
Energy: 0.9478105546198311
Energy: 0.9681925191289257
Energy: 1.5747408474994635
Energy: 0.9697063071506108
Energy: 0.940892668086933
Energy: 0.9512987278471946
Energy: 0.9694412569849423
Energy: 0.9545369483544849
Energy: 1.5741215516845608
Energy: 1.0875186221067656
Energy: 0.9433481261882485
Energy: 0.9514036322691243
Energy: 0.9577278704489735
Energy: 0.9422079613740234
Energy: 0.9378043837085825
Energy: 1.0403798929025236
Energy: 1.0069769722195838
Energy: 0.9511783526045521
Energy: 1.0446520989647334
Energy: 1.0053072472391489
Energy: 1.2731826613008104
Energy: 1.0292404838110676
Energy: 1.0777844025376693
Energy: 1.0843492428744708
Energy: 1.0215801960258823
Energy: 0.9490050747930266
Energy: 1.269116769507707
Energy: 1.0800695472612727
Energy: 1.080515586781468
Energy: 1.0817809568109056
Energy: 1.0781314627573608
Energy: 1.0813517513014008
Energy: 1.1907900075319833
Energy: 1.0214581045315054
Energy: 1.0149268988350237
Energy: 0.9891573867362025
Energy: 1.00786022234158
Energy: 1.0147477484254168
Energy: 1.1518830725988918
Energy: 1.0237540803543022
Energy: 1.0810946100393692
Energy: 1.0888358415643242
Energy: 1.0252662004348434
Energy: 1.0709335156798876
Energy: 1.1527599747045818
Energy: 1.0716363850267234
Energy: 1.1012200356688835
Energy: 1.0955746533942772
Energy: 1.0696280111029364
Energy: 1.096556692042599
Energy: 1.2235041254895103
Energy: 1.03459478492889
Energy: 1.0311460638407364
Energy: 1.079255180079223
Energy: 1.006356759891419
Energy: 1.0252199702046112
Energy: 1.2327528738161726
Energy: 1.0834974532947523
Energy: 1.0841699234606552
Energy: 1.115298679195675
Energy: 1.059986188285476
Energy: 1.0874958132684478
Energy: 1.2327655839325187
Energy: 1.0777164118629008
Energy: 1.0818336852877903
Energy: 1.0815563443800995
Energy: 1.075534217785959
Energy: 1.0962974010142366
Energy: 1.4826773367361188
Energy: 1.0749935258725651
Energy: 1.0752014909178729
Energy: 1.0797078735049508
Energy: 1.0757549583340773
Energy: 1.0675367023905091
Energy: 1.4096956689517317
Energy: 1.0627993027064662
Energy: 1.0671393808956169
Energy: 1.0219983952886902
Energy: 1.0542789158237518
Energy: 1.04062125037375
Energy: 1.4104963903562047
Energy: 1.084567517533904
Energy: 1.0818320303864304
Energy: 1.0221465264260294
Energy: 1.0750844279456728
Energy: 1.0854037801712264
Energy: 1.4263046894634173
Energy: 1.0723197425723316
Energy: 1.0749240245550444
Energy: 1.036660459127688
Energy: 1.0639798352361458
Energy: 1.073340460373569
Energy: 1.6613351183824923
Energy: 1.0840813213769687
Energy: 0.977497228772195
Energy: 0.9549208003245592
Energy: 1.087070215735813
Energy: 0.9779647442506046
Energy: 1.3040675242057098
Energy: 1.088752734894721
Energy: 1.0639740154781383
Energy: 0.98531339207598
Energy: 1.0862366310837674
Energy: 1.0742186840324472
Energy: 1.4264163967939443
Energy: 1.0756495688683818
Energy: 1.0807088045788493
Energy: 1.0670426288793602
Energy: 1.0745733120843204
Energy: 1.0834930765899642
Energy: 1.587308998179954
Energy: 1.122059288645751
Energy: 1.0875984927774982
Energy: 1.0257471435797334
Energy: 1.125991636951995
Energy: 1.017500274849878
Energy: 1.4263558529722709
Energy: 1.0780248171262934
Energy: 1.0856272793616701
Energy: 1.0570339797012154
Energy: 1.070208177319139
Energy: 1.0802475439035952
Energy: 1.566375377960241
Energy: 1.1029948327094223
Energy: 1.08179517429467
Energy: 1.1089208124353376
Energy: 1.1034399293534105
Energy: 1.1051914832663512
Energy: 1.563237839048464
Energy: 1.0828192427693413
Energy: 1.085381080386781
Energy: 1.0814735961044326
Energy: 1.080859903401536
Energy: 1.0643595852971839
Energy: 1.4434001259713458
Energy: 1.0328482287385135
Energy: 1.0399216629665142
Energy: 1.0685660636962735
Energy: 1.0204124612140175
Energy: 1.095817790768696
Energy: 1.3011183611243538
Energy: 1.0394346737494897
Energy: 1.0404810925755976
Energy: 1.0678290404980477
Energy: 1.0172232374867942
Energy: 1.0972587210681766
Energy: 1.3039649313240322
Energy: 1.0768038593494458
Energy: 1.0811138407434888
Energy: 1.0707859857796531
Energy: 1.0686921706249013
Energy: 1.0838407004713342
Energy: 1.3848064100456166
Energy: 1.004375599621294
Energy: 0.9968200297349509
Energy: 1.092814375968588
Energy: 1.007519294874677
Energy: 1.006103291448196
Energy: 1.120440730162867
Energy: 1.0217585313075719
Energy: 1.018119085500064
Energy: 1.1037995276819994
Energy: 1.0242942944077313
Energy: 1.0700126473930758
Energy: 1.120342590952726
Energy: 0.9508370874621703
Energy: 1.076224128042467
Energy: 1.0968116216529302
Energy: 1.071948733842853
Energy: 0.9588673358988348
Energy: 1.120486233121681
Energy: 1.0214024385722467
Energy: 1.0254982776073949
Energy: 1.098225202276007
Energy: 1.0061397887592474
Energy: 1.0127361522003029
Energy: 1.2432930713201298
Energy: 1.077779590381775
Energy: 0.9577530638456105
Energy: 0.9677432137955964
Energy: 0.9533123005777147
Energy: 0.959389233466164
Energy: 1.2430147974372823
Energy: 0.9679366466822946
Energy: 0.9670189861824614
Energy: 0.9793820805641065
Energy: 0.9666063096930991
Energy: 0.9682110529242904
Energy: 1.2432527067430394
Energy: 0.9444340629085105
Energy: 0.9694265645355847
Energy: 0.9790484467422924
Energy: 0.9733680189259586
Energy: 0.9954510953607081
Energy: 1.410983566895812
Energy: 0.9950479136700772
Energy: 1.0095816131386373
Energy: 1.0217209940628293
Energy: 0.9717320375609775
Energy: 0.9934794032888025
Energy: 1.4096659359958195
Energy: 0.9826261244847166
Energy: 0.9895761021747426
Energy: 1.020643593121101
Energy: 0.9897457820579597
Energy: 1.0056028918352118
Energy: 1.4582919455537986
Energy: 0.9818175833618459
Energy: 0.9843920810645165
Energy: 0.9558471255762225
Energy: 0.9747584309976953
Energy: 0.9531307946323664
Energy: 1.637620850238645
Energy: 0.9555676681381755
Energy: 0.9353582656031844
Energy: 0.9665130375696868
Energy: 0.9556987522376408
Energy: 1.0063798090820937

minimum gb energy = 0.9353582656031844 eV
minimum distance =  2.51139465518691 Angstroms
sigma value = 51


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

Energy: 1.7176044799062404
Energy: 1.023227522945689
Energy: 1.021873735484103
Energy: 0.9640063218174527
Energy: 1.0231214881913129
Energy: 0.9640760802004692
Energy: 1.3008049218663624
Energy: 1.009158209495342
Energy: 0.9871855313190545
Energy: 0.9440362837811205
Energy: 1.0060860913092105
Energy: 0.9421114180192383
Energy: 1.5156986140481001
Energy: 1.0070281510685861
Energy: 0.9818997189011488
Energy: 0.9425081134213642
Energy: 1.0169671357915944
Energy: 0.9821127813177397
Energy: 1.516131600664133
Energy: 1.0168637652784642
Energy: 1.0132060997145205
Energy: 0.9396540791808765
Energy: 1.0158852185554004
Energy: 0.9641699485075568
Energy: 1.3003546419223753
Energy: 0.9424782343573359
Energy: 0.9436128386818303
Energy: 0.9435828486936205
Energy: 0.9440328375227894
Energy: 0.9440317983203921
Energy: 1.300097006718426
Energy: 0.9422749984739449
Energy: 0.9429187019840616
Energy: 0.9433664481325891
Energy: 0.9446956469371868
Energy: 0.9426952956653286
Energy: 1.3000839103931954
Energy: 0.9444783236911135
Energy: 0.9423847380575555
Energy: 0.9447554677461374
Energy: 0.9431435272553227
Energy: 0.9497142196723385
Energy: 1.2332583496715794
Energy: 0.9022719549909782
Energy: 0.9566570845864714
Energy: 1.0177866524432249
Energy: 0.9023580551887267
Energy: 0.9867136922053322
Energy: 1.0458637972975728
Energy: 0.999011787527171
Energy: 1.007526831911098
Energy: 1.0167139708854966
Energy: 0.9989520216935298
Energy: 0.9821376443786601
Energy: 1.0458156406385573
Energy: 0.9413935069382939
Energy: 0.9408755365495755
Energy: 1.0101716785112176
Energy: 0.9444979559058992
Energy: 0.9876847037087496
Energy: 1.045695371679974
Energy: 0.9573260369359753
Energy: 0.9570208809691217
Energy: 1.006381837455226
Energy: 0.9361677199761784
Energy: 0.9562775678399354
Energy: 1.1176275111508338
Energy: 0.9421883198414198
Energy: 0.9416254586428817
Energy: 1.0101536774704882
Energy: 0.9415451780689598
Energy: 0.9871374542856866
Energy: 1.11567472637567
Energy: 0.9822478914082688
Energy: 0.9904288876906281
Energy: 1.0060880861666617
Energy: 1.0313801833246357
Energy: 0.9842929807709278
Energy: 1.1162191773528325
Energy: 0.9422019719421135
Energy: 0.9398900952060403
Energy: 0.9971672802468451
Energy: 0.9431926528602976
Energy: 0.9680927978997651
Energy: 1.39488661655839
Energy: 0.985018766588961
Energy: 0.9845033082919111
Energy: 0.9102554989654799
Energy: 0.9916028726228956
Energy: 0.9842754429258762
Energy: 1.3947097414595673
Energy: 0.983970744409598
Energy: 0.9846749665083095
Energy: 0.9107472069422636
Energy: 1.0208694901163426
Energy: 0.9113445445625548
Energy: 0.9552672349118329
Energy: 1.006101695148047
Energy: 0.9823621595288541
Energy: 0.942754692011703
Energy: 1.0094289958298803
Energy: 0.9856084245891026
Energy: 1.6362446226437362
Energy: 0.999678475666788
Energy: 0.935228199161655
Energy: 0.9012690373680523
Energy: 1.0078874992549076
Energy: 0.9338038093352964

minimum gb energy = 0.9012690373680523 eV
minimum distance =  2.69567388636046 Angstroms
sigma value = 19


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

Energy: 1.597644831862235
Energy: 1.0091646521829194
Energy: 0.949793626252799
Energy: 0.9507217260489793
Energy: 1.0030346354813433
Energy: 1.060370716419935
Energy: 1.3851994859247905
Energy: 1.003397670217671
Energy: 0.9750240023943334
Energy: 1.0216119737262839
Energy: 1.010431782296284
Energy: 0.9750833009885448
Energy: 1.6321324355566924
Energy: 1.0178251497354738
Energy: 0.9751120107846111
Energy: 1.0486414574220506
Energy: 1.0161472165003658
Energy: 0.990974479331133
Energy: 1.2946891864198955
Energy: 1.0175250846148014
Energy: 1.017546779686581
Energy: 1.0903236350318535
Energy: 1.0229055163330707
Energy: 1.0173322618260765
Energy: 1.3843704869896651
Energy: 0.9750844677799104
Energy: 1.00363768810001
Energy: 1.0218961788308054
Energy: 1.0162619883065964
Energy: 1.0301732184584962
Energy: 1.3708772327288672
Energy: 1.042784189828061
Energy: 1.0094359487259863
Energy: 1.1450655287319027
Energy: 1.042901254573425
Energy: 1.0295751927426715
Energy: 1.3711323053741544
Energy: 1.0068535823943054
Energy: 1.0094524219267698
Energy: 1.027685978757377
Energy: 1.0062482462111915
Energy: 1.1607173553499228
Energy: 1.2647819060531096
Energy: 0.9743502405808406
Energy: 0.9620009701764511
Energy: 1.0017759514194984
Energy: 0.9847296708649524
Energy: 0.9641550539680656
Energy: 1.157861777579559
Energy: 0.9637345425157103
Energy: 0.9639769527033526
Energy: 1.1463772189366874
Energy: 0.9799122178807544
Energy: 0.9700493716222449
Energy: 1.1587589934534592
Energy: 1.1502631716282552
Energy: 1.140689583572604
Energy: 1.150374152690497
Energy: 1.028869670585995
Energy: 1.1398657879760614
Energy: 1.1575668243197268
Energy: 1.0913631210538282
Energy: 1.0921492135201756
Energy: 1.1496002153807523
Energy: 1.0908246614234012
Energy: 1.14072841761455
Energy: 1.2540135568940833
Energy: 1.1476943042159933
Energy: 1.1617139026162622
Energy: 1.1483479516278996
Energy: 1.1435844432590765
Energy: 1.1408494860980647
Energy: 1.049018762725616
Energy: 1.1500939797854852
Energy: 1.1721546598927381
Energy: 1.0424919106525272
Energy: 1.1713001532550131
Energy: 1.1760168196958203
Energy: 1.2546151249173543
Energy: 1.1717390256995148
Energy: 1.1526828404698226
Energy: 1.1497776699455575
Energy: 1.1689972229153454
Energy: 1.149110506103018
Energy: 1.457059053291086
Energy: 1.1456809850789311
Energy: 1.1506669051170808
Energy: 0.9720344458185067
Energy: 1.151061685185969
Energy: 0.963771454142034
Energy: 1.4553727524134932
Energy: 1.1517633359409554
Energy: 0.9616288492999641
Energy: 0.974584475241978
Energy: 1.1856031395891324
Energy: 0.9616081285625503
Energy: 1.3907150648909625
Energy: 1.1515096503303048
Energy: 1.1449761312622453
Energy: 1.1529798852403637
Energy: 1.1511785038567846
Energy: 1.1439411049059538
Energy: 1.2953016757880784
Energy: 1.151795432407427
Energy: 1.1516280196207205
Energy: 1.0902072982698745
Energy: 1.1516933709418293
Energy: 1.1403198326964756
Energy: 1.2946411865158063
Energy: 1.139930340298836
Energy: 1.1402577485104175
Energy: 1.0904742246964374
Energy: 1.1403977836864951
Energy: 1.1252125193482572
Energy: 1.3870720575092113
Energy: 1.0428544433707518
Energy: 1.150493395539987
Energy: 1.1482705402332376
Energy: 1.0428488142924313
Energy: 1.1484340914352242
Energy: 1.384952958562907
Energy: 1.1489211315938197
Energy: 1.1483724074396573
Energy: 1.1678662280950651
Energy: 1.1440707544474833
Energy: 1.1517080989916064
Energy: 1.3852045176631747
Energy: 1.0026979187881995
Energy: 1.148513268334541
Energy: 1.1407793782792726
Energy: 1.0069340392655621
Energy: 1.0171252797616552
Energy: 1.272486813176251
Energy: 0.9739369183558088
Energy: 0.9557710887020157
Energy: 1.1787457732366922
Energy: 0.9820981136809807
Energy: 0.9650400346985666
Energy: 1.1446080559127667
Energy: 1.0092879471260652
Energy: 0.9786465551351239
Energy: 1.0130103495039744
Energy: 1.0256904432041933
Energy: 1.1238471892364823
Energy: 1.1444841856256818
Energy: 1.0120887639401666
Energy: 0.9752286299867073
Energy: 1.0049395448729708
Energy: 1.01132139714856
Energy: 1.0105174049664978
Energy: 1.2653626840662782
Energy: 1.0906959466453903
Energy: 1.0907507520052324
Energy: 1.0077183279498343
Energy: 1.0904691883325188
Energy: 1.0084751549528777
Energy: 1.3379227494002603
Energy: 1.0208469315562094
Energy: 1.0374303077064677
Energy: 1.0099140173146177
Energy: 1.0295361674507415
Energy: 1.0352015356076172
Energy: 1.0487968382973554
Energy: 1.021134247357754
Energy: 1.0374424979942003
Energy: 1.0429435228384565
Energy: 1.0304754174371993
Energy: 1.009587039193735
Energy: 1.3172719550918095
Energy: 1.0210644717948132
Energy: 1.009433847722573
Energy: 0.983081889440885
Energy: 1.0168772540457276
Energy: 1.0094477186795863
Energy: 1.4716709578092715
Energy: 1.0023111836163119
Energy: 0.970451563240803
Energy: 0.9745783525706
Energy: 1.0101265311944345
Energy: 1.0408080866609832

minimum gb energy = 0.949793626252799 eV
minimum distance =  2.59769960538855 Angstroms
sigma value = 27


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

Energy: 1.213229265517599
Energy: 0.8978542574979441
Energy: 0.8077533610346126
Energy: 0.9151259794436517
Energy: 0.8980188489677825
Energy: 0.8061878168291435
Energy: 1.1567809488416143
Energy: 0.846759461489501
Energy: 0.8466760084548439
Energy: 0.8791842613740561
Energy: 0.8969109525399569
Energy: 0.8472920599230727
Energy: 1.0703302057794828
Energy: 0.8976010664045824
Energy: 0.897358840760373
Energy: 0.8467547939798785
Energy: 0.8971858261324273
Energy: 0.8981296865873322
Energy: 1.1568880115139397
Energy: 0.8469696081099573
Energy: 0.8466778396380271
Energy: 0.8975123059192093
Energy: 0.933452187616508
Energy: 0.8463250585866575
Energy: 1.1580191384807845
Energy: 0.864475507118821
Energy: 0.846951802176272
Energy: 0.8471902992172875
Energy: 0.864522293011453
Energy: 0.8468136592174474
Energy: 0.9885995209711744
Energy: 0.916937984733291
Energy: 0.9168815418542234
Energy: 0.9884197807213363
Energy: 0.9180862805890356
Energy: 0.8043576214996273
Energy: 0.9891510849990155
Energy: 0.8784294359451815
Energy: 0.847333270380245
Energy: 0.9897044040552386
Energy: 0.8784961275288775
Energy: 0.846959790089805
Energy: 1.03905047938359
Energy: 0.8748656223387058
Energy: 0.8757103677064015
Energy: 1.039146613290051
Energy: 0.8755010912632896
Energy: 0.8464777570688671
Energy: 1.0702697055018384
Energy: 0.8462301097565929
Energy: 0.8812603425359207
Energy: 0.8978843369394998
Energy: 0.8458770779218533
Energy: 0.8823428013635304
Energy: 1.0710084707242902
Energy: 0.8843308386616616
Energy: 0.8974148875841256
Energy: 0.8988010234704367
Energy: 0.8842684525446064
Energy: 0.8982235665172535
Energy: 1.0701889215519809
Energy: 0.931186412722521
Energy: 0.9320169859048221
Energy: 0.8977583462768556
Energy: 0.9335909503049944
Energy: 0.9358912613514974
Energy: 1.0700499980323854
Energy: 0.8468399305962244
Energy: 0.8464260206665628
Energy: 0.8794950424670978
Energy: 0.898146916775122
Energy: 0.8470001278899

minimum gb energy = 0.8043576214996273 eV
minimum distance =  2.72664138522233 Angstroms
sigma value = 9


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

Energy: 0.7737721794933182
Energy: 0.7812670561903148
Energy: 0.8093462262983389
Energy: 0.8071597168997735
Energy: 0.8238788575712549
Energy: 0.8090598579668236
Energy: 0.8923447037387924
Energy: 0.78336097029508
Energy: 0.7858413385207519
Energy: 0.7873865274407118
Energy: 0.7940197215772468
Energy: 0.7902313521621068
Energy: 0.8933077067111846
Energy: 0.7771305575737579
Energy: 0.7810159916784912
Energy: 0.8226811507321775
Energy: 0.8117720592249349
Energy: 0.8081827295704406
Energy: 0.8930481398975202
Energy: 0.7806377663552886
Energy: 0.7844043580995534
Energy: 0.806732759178649
Energy: 0.7825686191901051
Energy: 0.777849215344378
Energy: 0.8923732520110452
Energy: 0.7770180364903989
Energy: 0.7728831132561645
Energy: 0.8407658385393753
Energy: 0.8073057345601404
Energy: 0.8034439526592777
Energy: 0.8545551357091319
Energy: 0.7787035447652174
Energy: 0.7716894161466435
Energy: 0.8552899675493036
Energy: 0.8264064413565648
Energy: 0.7717097262624256
Energy: 0.8555073270087665
Energy: 0.7824137216091878
Energy: 0.7821141736643382
Energy: 0.8564806024437277
Energy: 0.7808675802450331
Energy: 0.7809546086599258
Energy: 0.8729456835013747
Energy: 0.7854384843501814
Energy: 0.7777243961005148
Energy: 0.8719550436272414
Energy: 0.788184813064568
Energy: 0.7804026512022433
Energy: 1.0120671236482792
Energy: 0.7777767231034292
Energy: 0.7851701044670827
Energy: 0.8031032586795595
Energy: 0.8337452624520991
Energy: 0.7771306143028519
Energy: 0.8082613811739777
Energy: 0.7807308433806549
Energy: 0.7837214068657345
Energy: 0.8148876837928583
Energy: 0.783095808178445
Energy: 0.7774226771698111
Energy: 0.8082968200285815
Energy: 0.778025684706754
Energy: 0.7771027424440187
Energy: 0.813097777057096
Energy: 0.830454395162078
Energy: 0.8005377630215361
Energy: 1.011850501655725
Energy: 0.82448699773216
Energy: 0.797981376431023
Energy: 0.7951721143931506
Energy: 0.818714601534519
Energy: 0.8070155959973618
Energy: 1.097075906668202
Energy: 0.8239589627921982
Energy: 0.8027528871949529
Energy: 0.8121213780232654
Energy: 0.8238282873785161
Energy: 0.7947790314476953
Energy: 1.0118432992928577
Energy: 0.7998206732295329
Energy: 0.7978469316267489
Energy: 0.7953266711232878
Energy: 0.822706344227927
Energy: 0.8070516696285598
Energy: 0.8388297244069776
Energy: 0.7793605827019903
Energy: 0.77881297374043
Energy: 0.8218706387441113
Energy: 0.7789831374194248
Energy: 0.7934622487477422
Energy: 0.8390291123280874
Energy: 0.7846116502602992
Energy: 0.7850991904898353
Energy: 0.8389439557362782
Energy: 0.8067487647028261
Energy: 0.8045260684460469
Energy: 0.8388263623393736
Energy: 0.7759732575952117
Energy: 0.7933369459702803
Energy: 0.8209319788347579
Energy: 0.7938872043566928
Energy: 0.7837275383986945
Energy: 0.9111102406073739
Energy: 0.8051224760897512
Energy: 0.7931110921306893
Energy: 0.7955821821950205
Energy: 0.777025323858513
Energy: 0.7997496511491853
Energy: 0.8938719507463894
Energy: 0.7848047383652772
Energy: 0.7865457899189381
Energy: 0.8041176684663656
Energy: 0.7845908030933707
Energy: 0.785225737994497
Energy: 0.8925362612296114
Energy: 0.7832029430756169
Energy: 0.7831184824949261
Energy: 0.7994202214938141
Energy: 0.7991114913521903
Energy: 0.7828417263597756
Energy: 0.8936621989183187
Energy: 0.8000563720933476
Energy: 0.7943669305834742
Energy: 0.8060276623360656
Energy: 0.8035838689841927
Energy: 0.7854145951650005
Energy: 0.9383264431895195
Energy: 0.7999361520176115
Energy: 0.772572849744404
Energy: 0.8085085008153657
Energy: 0.7964047780783761
Energy: 0.7947075951822756
Energy: 0.9380145664599098
Energy: 0.8030387538508083
Energy: 0.7848835144001656
Energy: 0.8084841749211324
Energy: 0.7936293038670326
Energy: 0.7720395638363536
Energy: 0.8931154341749524
Energy: 0.7773609724450675
Energy: 0.8029700549942034
Energy: 0.8230788287171443
Energy: 0.794087629198767
Energy: 0.7963780129120305
Energy: 1.1136170253928297
Energy: 0.7853863276326712
Energy: 0.8045622873860158
Energy: 0.7856603844093326
Energy: 0.7799663058670727
Energy: 0.7977507247195084
Energy: 0.8926807368781183
Energy: 0.7778813734233857
Energy: 0.8075342806467299
Energy: 0.8022443688295205
Energy: 0.7809193982710085
Energy: 0.8026795192282488
Energy: 0.8263976966656584
Energy: 0.7984964246189177
Energy: 0.7853588439564408
Energy: 0.8237038297368412
Energy: 0.7720407169295184
Energy: 0.7954712946243032
Energy: 0.8547509654607139
Energy: 0.7775891307722255
Energy: 0.7780060505052004
Energy: 0.8552249685573938
Energy: 0.7811500160000897
Energy: 0.8063469276220803
Energy: 0.8550083329520848
Energy: 0.7790873264474355
Energy: 0.8030674173763892
Energy: 0.8551613147689328
Energy: 0.8136133153048061
Energy: 0.7768922623865058
Energy: 0.8466410289980378
Energy: 0.785680230008536
Energy: 0.7783794758358548
Energy: 0.7972632496162978
Energy: 0.784101878254028
Energy: 0.7766157403403517
Energy: 0.8083428413516044
Energy: 0.7767177368256182
Energy: 0.7772205949516594
Energy: 0.8127745740637566
Energy: 0.7824007111388616
Energy: 0.7771300891956521
Energy: 1.4368004915040573
Energy: 0.7863968202627498
Energy: 0.7808048982346925
Energy: 0.7731150575268523
Energy: 0.8722654115640242
Energy: 0.7777976618363119
Energy: 1.0120565460433757
Energy: 0.8176924848387706
Energy: 0.7774005019877531
Energy: 0.7830669343133895
Energy: 0.856891520053483
Energy: 0.7774579311201372
Energy: 0.8753952547627618
Energy: 0.78788824079669
Energy: 0.7982446868434796
Energy: 0.8143279455277231
Energy: 0.830970668636196
Energy: 0.7761583114112729
Energy: 0.8742776129534361
Energy: 0.8009827412679756
Energy: 0.7982531675957593
Energy: 0.8132098370423985
Energy: 0.7981925033868551
Energy: 0.8030452963734055
Energy: 0.8664546439696141
Energy: 0.7798119941722524
Energy: 0.7929319825856679
Energy: 0.7929386908579943
Energy: 0.780536995534049
Energy: 0.7923779675283413
Energy: 0.8397271896281864
Energy: 0.804860599365526
Energy: 0.8083612773564279
Energy: 0.8397753663456619
Energy: 0.8049088208853943
Energy: 0.7775797134687036
Energy: 0.8389046414532059
Energy: 0.7882008093044278
Energy: 0.7888511128788682
Energy: 0.8223693146637815
Energy: 0.7881412915874693
Energy: 0.7880656484148871
Energy: 0.82337816665731
Energy: 0.7793925100448856
Energy: 0.77834431324599
Energy: 0.8229558386759885
Energy: 0.7776093876092802
Energy: 0.775387492192386
Energy: 0.8923363966979132
Energy: 0.7890208090811516
Energy: 0.788773143346552
Energy: 0.7942072087614116
Energy: 0.7882690644155793
Energy: 0.7897276693193381
Energy: 0.890230610757035
Energy: 0.7830079102060442
Energy: 0.7833051708567645
Energy: 0.7991848606461356
Energy: 0.7837717273419259
Energy: 0.7854874024515228
Energy: 0.8940337238707542
Energy: 0.7830682370556569
Energy: 0.7841423800636718
Energy: 0.8053263376528482
Energy: 0.8001400624017581
Energy: 0.7888006955616974
Energy: 1.074607690319927
Energy: 0.7846236579093526
Energy: 0.7984906624101823
Energy: 0.8083001245898479
Energy: 0.7927593691496542
Energy: 0.7719489073989806

minimum gb energy = 0.7716894161466435 eV
minimum distance =  2.67311672278936 Angstroms
sigma value = 57


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

Energy: 0.4433910546642878
Energy: 0.45584735516502034
Energy: 0.4372203387429759
Energy: 0.44187468792295886
Energy: 0.4559899772376755
Energy: 0.4342702002573004
Energy: 0.534516636905088
Energy: 0.4529570599045446
Energy: 0.44892506614656635
Energy: 0.47041189100364034
Energy: 0.4567430730427303
Energy: 0.44846732399240763
Energy: 0.5381496537499302
Energy: 0.45478199638554434
Energy: 0.45076235765054223
Energy: 0.4589972153809023
Energy: 0.4584541563160472
Energy: 0.4478399743821643
Energy: 0.5382990086923284
Energy: 0.45675600493670593
Energy: 0.4503059862149186
Energy: 0.459751137623262
Energy: 0.45694825326731847
Energy: 0.44873281307086815
Energy: 0.5331966679520623
Energy: 0.4406058407514412
Energy: 0.4378845365947623
Energy: 0.458437627537777
Energy: 0.4357058771313137
Energy: 0.4493157214015131
Energy: 0.49602689831845864
Energy: 0.43511395403081543
Energy: 0.43881276479833137
Energy: 0.45989210520471335
Energy: 0.4376890524154905
Energy: 0.43694237269858954
Energy: 0.4890552504415984
Energy: 0.4528590555673475
Energy: 0.45194556832013955
Energy: 0.45683173026990387
Energy: 0.45646624331976077
Energy: 0.4468593332576915
Energy: 0.4959938163566059
Energy: 0.45337690242928225
Energy: 0.45220579972758956
Energy: 0.46546180259560516
Energy: 0.45719492473063106
Energy: 0.451159742383989
Energy: 0.5326830586658545
Energy: 0.44724820115509567
Energy: 0.4479525786344599
Energy: 0.46768370748990107
Energy: 0.456939833433116
Energy: 0.4519931678010015
Energy: 0.44480035699123
Energy: 0.45105241629418275
Energy: 0.4344669775041036
Energy: 0.4404208187274842
Energy: 0.46471040807685765
Energy: 0.43759920335680524
Energy: 0.4447966997483489
Energy: 0.4546433903604997
Energy: 0.4491118045743479
Energy: 0.43929738183683065
Energy: 0.4582569344022426
Energy: 0.43745937828742043
Energy: 0.5347406501141033
Energy: 0.4507817248219447
Energy: 0.4486025855760268
Energy: 0.4580560588784004
Energy: 0.4646642042992669
Energy: 0.4480178957786649
Energy: 0.882006758212801
Energy: 0.4565032721872607
Energy: 0.4505241994508038
Energy: 0.4518124700506649
Energy: 0.46051270512080406
Energy: 0.4481510170195061
Energy: 0.5334509464871056
Energy: 0.4510748001546987
Energy: 0.44877230289067305
Energy: 0.4600160166820192
Energy: 0.4684509280395076
Energy: 0.44851971528920037
Energy: 0.5383250962254661
Energy: 0.4360424067563067
Energy: 0.4341157571418987
Energy: 0.4590132543624189
Energy: 0.44071221218156775
Energy: 0.4365130746057479
Energy: 0.4930281235421548
Energy: 0.4496247652577454
Energy: 0.44866161421250217
Energy: 0.45992749119153115
Energy: 0.44272916953862185
Energy: 0.4492311132934968
Energy: 0.49472987152268233
Energy: 0.44770008681931156
Energy: 0.4479186073749819
Energy: 0.4678018593372023
Energy: 0.4544663741652449
Energy: 0.4498945341199061
Energy: 0.5369386011789778
Energy: 0.45356587786687047
Energy: 0.4505678138927803
Energy: 0.45722406944522476
Energy: 0.45698742334810577
Energy: 0.44950747328396357
Energy: 0.44484313186341984
Energy: 0.45348520313236446
Energy: 0.45172015247906255
Energy: 0.4383075417652306
Energy: 0.45631034847124924
Energy: 0.449366232166861

minimum gb energy = 0.4341157571418987 eV
minimum distance =  2.75761595826955 Angstroms
sigma value = 11


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

Energy: 1.3079526491841187
Energy: 0.7824619119195969
Energy: 0.7845274168297162
Energy: 0.6330701813503827
Energy: 0.7781993347386514
Energy: 0.7830948821845967
Energy: 0.635074188961008
Energy: 0.6267653706625923
Energy: 0.6254081699371431
Energy: 0.6208707395529962
Energy: 0.6213903736745585
Energy: 0.6207109416610823
Energy: 0.637742508571315
Energy: 0.6188895943722271
Energy: 0.6191373335268028
Energy: 0.6228189069640763
Energy: 0.6188651803691229
Energy: 0.6199963645880776
Energy: 0.6374284556438945
Energy: 0.6214700080805908
Energy: 0.6192148333446938
Energy: 0.6234344970595876
Energy: 0.6218206231160222
Energy: 0.6198623027856911
Energy: 0.6348599601792912
Energy: 0.7043241180404175
Energy: 0.704367269287625
Energy: 0.6236869134208105
Energy: 0.7045174421879802
Energy: 0.6230107766676982
Energy: 0.6769211463580741
Energy: 0.6289084763092172
Energy: 0.6275963608515199
Energy: 0.6216541526995634
Energy: 0.6256778454906736
Energy: 0.7047400521105577
Energy: 0.6803020515278282
Energy: 0.6199602227269418
Energy: 0.6197778067142572
Energy: 0.6225335931814125
Energy: 0.6198864096788396
Energy: 0.6192983279448615
Energy: 0.6526043336215474
Energy: 0.6173645763930974
Energy: 0.6190012620951372
Energy: 0.6212685169697597
Energy: 0.6201385347968208
Energy: 0.6230443207676262
Energy: 0.6792997563033514
Energy: 0.6220269749344355
Energy: 0.6200722161735337
Energy: 0.6213300291329278
Energy: 0.6188255563943073
Energy: 0.6185359969603403
Energy: 0.9252897417657625
Energy: 0.6205207207177474
Energy: 0.6206888895468807
Energy: 0.625753434921722
Energy: 0.6201775516479991
Energy: 0.6232189500560896
Energy: 0.7056349307291798
Energy: 0.702401901711318
Energy: 0.7028800672159153
Energy: 0.7044256133713851
Energy: 0.7041442472033506
Energy: 0.704982614040169
Energy: 0.6861336181446062
Energy: 0.6209858369142215
Energy: 0.6233643654450722
Energy: 0.6204886583259045
Energy: 0.6253122634447632
Energy: 0.6176712152205286
Energy: 0.8116529022978854
Energy: 0.622141070223487
Energy: 0.620568055447452
Energy: 0.6238885021199401
Energy: 0.6278084489305968
Energy: 0.6188872187077963
Energy: 0.8116123575242306
Energy: 0.7842535403828923
Energy: 0.7843751061215172
Energy: 0.7037602952519458
Energy: 0.7844926995533188
Energy: 0.7840457941937456
Energy: 0.8124803043429384
Energy: 0.6216789609799567
Energy: 0.6221995929566968
Energy: 0.7069788380434936
Energy: 0.6234110089068675
Energy: 0.7069720891589527
Energy: 0.994285458168981
Energy: 0.7852939497946579
Energy: 0.7846718012355165
Energy: 0.7040589611452763
Energy: 0.7036062702007105
Energy: 0.784322029140624
Energy: 1.1108211456833796
Energy: 0.6214666114146159
Energy: 0.6228686326528236
Energy: 0.6223430882124893
Energy: 0.6396158714417064
Energy: 0.6199525805544412
Energy: 1.2872499773732546
Energy: 0.7049306584208864
Energy: 0.7045389192343815
Energy: 0.618784781103995
Energy: 0.7055558365626396
Energy: 0.7046123430412701
Energy: 0.9941523456490685
Energy: 0.6186327720678104
Energy: 0.6226325518027117
Energy: 0.6234877367807363
Energy: 0.6199204868612719
Energy: 0.6223261893147438
Energy: 0.8924509891087824
Energy: 0.6403325382923482
Energy: 0.6386954229773961
Energy: 0.620308939095152
Energy: 0.6191732415076016
Energy: 0.6288284807167543
Energy: 0.9937460899835711
Energy: 0.7031347569076711
Energy: 0.703771164096894
Energy: 0.706289836127769
Energy: 0.7815491705823513
Energy: 0.7039313722324653
Energy: 0.6391171456690954
Energy: 0.6228029143460181
Energy: 0.6224403947735906
Energy: 0.7049004897435012
Energy: 0.6308550267048585
Energy: 0.7852510897200616
Energy: 0.639091687893954
Energy: 0.7049483108355796
Energy: 0.7054090652278259
Energy: 0.6182124246511173
Energy: 0.6221767747561259
Energy: 0.7063359737439997
Energy: 0.6403385197240452
Energy: 0.6200740659871283
Energy: 0.621908734849727
Energy: 0.6229251410320312
Energy: 0.6192581058477259
Energy: 0.6188800370628957
Energy: 0.781211735732296
Energy: 0.6210069208418921
Energy: 0.6210968308956508
Energy: 0.617598641665861
Energy: 0.6212415422913229
Energy: 0.618694717462986
Energy: 0.70341241323714
Energy: 0.6221620818023751
Energy: 0.6226190034593077
Energy: 0.7037928206593969
Energy: 0.6243174929887295
Energy: 0.6174171386287509

minimum gb energy = 0.6173645763930974 eV
minimum distance =  2.71071993727758 Angstroms
sigma value = 41


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

Energy: 1.4435252084795491
Energy: 0.9003927434256624
Energy: 0.6606327655483496
Energy: 1.2084863174030827
Energy: 0.899195144492668
Energy: 0.68497567676557
Energy: 0.6874001274856805
Energy: 0.6610646838268508
Energy: 0.6605416667182549
Energy: 0.6656739743405182
Energy: 0.6616158540072051
Energy: 0.6609674661423426
Energy: 0.684378406341967
Energy: 0.661638840381418
Energy: 0.661954666281283
Energy: 0.6609067739487035
Energy: 0.6609636003700462
Energy: 0.6622999210827486
Energy: 0.6844751362059247
Energy: 0.6639523263364575
Energy: 0.6623634341325735
Energy: 0.66336606846164
Energy: 0.6619950631412651
Energy: 0.6632830653415034
Energy: 0.6863854044185138
Energy: 0.6801966702231801
Energy: 0.6709096168326624
Energy: 0.6648219274757823
Energy: 0.6668762793191246
Energy: 0.6628515077599522
Energy: 0.7511768427722536
Energy: 0.6654715968048751
Energy: 0.6669076636869185
Energy: 0.6677008834871536
Energy: 0.664117082511012
Energy: 0.6671766454073045
Energy: 0.7498389753602305
Energy: 0.6643950856015923
Energy: 0.6633202526645529
Energy: 0.6658695294310629
Energy: 0.6616546384510916
Energy: 0.6632133117592212
Energy: 0.7105288052440433
Energy: 0.661563918476905
Energy: 0.6592350461069577
Energy: 0.661162118419222
Energy: 0.659165828178445
Energy: 0.6977215362766125
Energy: 0.7489384506594398
Energy: 0.6627521597529717
Energy: 0.6611739625939053
Energy: 0.6647210141441676
Energy: 0.6638747613754861
Energy: 0.6611186314073311
Energy: 0.7520772894335261
Energy: 0.6621040144800802
Energy: 0.66308502332632
Energy: 0.6643794546053994
Energy: 0.6649759472800795
Energy: 0.6630003990951994
Energy: 0.7513297241903223
Energy: 0.6681922544883222
Energy: 0.6680263678744207
Energy: 0.6664903151430769
Energy: 0.6682407618916378
Energy: 0.6679981894677046
Energy: 0.7514567203414553
Energy: 0.6589387719006379
Energy: 0.6581698201911437
Energy: 0.6679356217596893
Energy: 0.6592208179539968
Energy: 0.6675751376963476
Energy: 0.6918050976636145
Energy: 0.6593962010597846
Energy: 0.659887504249679
Energy: 0.6673061494432236
Energy: 0.6595921881177003
Energy: 0.6600710317832149
Energy: 0.6939968146795242
Energy: 0.6610684275400004
Energy: 0.6601192739856865
Energy: 0.6652850414166175
Energy: 0.6608482799850895
Energy: 0.6607815422711316
Energy: 0.6917445545332733
Energy: 0.6622940259373439
Energy: 0.6623515185975543
Energy: 0.6605975218472023
Energy: 0.6919967425291121
Energy: 0.6622575036676569
Energy: 0.6886027174648081
Energy: 0.6630021129338558
Energy: 0.6622195180262531
Energy: 0.6650413160599491
Energy: 0.6650110358772305
Energy: 0.6613332966239133
Energy: 0.79514051537739
Energy: 0.6787403446536394
Energy: 0.656304895108301
Energy: 0.6676806530140416
Energy: 0.6784258273867745
Energy: 0.6644514628719331
Energy: 0.7115285019679928
Energy: 0.6643561662318906
Energy: 0.6634400482598389
Energy: 0.6589296824555393
Energy: 0.6646179343569254
Energy: 0.6595619521074375
Energy: 0.685398173455831
Energy: 0.661723391835211
Energy: 0.660812395342251
Energy: 0.6655573200901508
Energy: 0.661030257963708
Energy: 0.6628374244249148
Energy: 0.6842553959755544
Energy: 0.6639953925506465
Energy: 0.6626288581759439
Energy: 0.6611282729142854
Energy: 0.6613145620098357
Energy: 0.6617230276644374
Energy: 0.6877070880915978
Energy: 0.6640640303562423
Energy: 0.6626905433823823
Energy: 0.6686562510984485
Energy: 0.6657683838384026
Energy: 0.6609162778780983
Energy: 1.1756748695059622
Energy: 0.6958472305448403
Energy: 0.6967926405536807
Energy: 0.9217856827885407
Energy: 0.6965866118462706
Energy: 0.6621804160674291
Energy: 0.7530114249750345
Energy: 0.6628685505293641
Energy: 0.6628863465154806
Energy: 0.6669046989871618
Energy: 0.6651184830086163
Energy: 0.6614594634607249
Energy: 0.7103406444373305
Energy: 0.6952280995786221
Energy: 0.6949599405731238
Energy: 0.658094175543181
Energy: 0.6633318307833278
Energy: 0.6602046048027104
Energy: 0.751587511639312
Energy: 0.6645840809556355
Energy: 0.662766491321783
Energy: 0.6619228728180103
Energy: 0.6614209257091539
Energy: 0.6617516194947366
Energy: 0.751483646798896
Energy: 0.6679209281360459
Energy: 0.6680076207937353
Energy: 0.6657502718476759
Energy: 0.6678993203430704
Energy: 0.6688234775023811
Energy: 0.7521647316346014
Energy: 0.6621665956279852
Energy: 0.663072839659736
Energy: 0.66423938847391
Energy: 0.6602815262348399
Energy: 0.6632470026463918
Energy: 0.7513100370951848
Energy: 0.6572841613517454
Energy: 0.6774686214452831
Energy: 0.6675506423327251
Energy: 0.6601368088542185
Energy: 0.6754808422779038
Energy: 0.6922123497784709
Energy: 0.6604192677373569
Energy: 0.6971364670650834
Energy: 0.661716895209548
Energy: 0.6597693081987942
Energy: 0.697171111878837
Energy: 0.691976862808517
Energy: 0.6755759681083876
Energy: 0.6775928102432617
Energy: 0.6675946922558857
Energy: 0.6754527074519613
Energy: 0.6780976689436036
Energy: 0.6915528621686476
Energy: 0.662306515149572
Energy: 0.6613559608094888
Energy: 0.6606331545828907
Energy: 0.6610695431868497
Energy: 0.6617003440937698
Energy: 0.6856484443488927
Energy: 0.6660835171003852
Energy: 0.6638596382757064
Energy: 0.6623073526453382
Energy: 0.6594074367642897
Energy: 0.6638082601384991
Energy: 0.7935689033154101
Energy: 0.6663193145488033
Energy: 0.6600630115805672
Energy: 0.6656258378476814
Energy: 0.6644906951035311
Energy: 0.668296238311905

minimum gb energy = 0.656304895108301 eV
minimum distance =  2.70108792727046 Angstroms
sigma value = 33


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

Energy: 0.8586769677520871
Energy: 0.7196887355539242
Energy: 0.7388532913489617
Energy: 0.7540377691190316
Energy: 0.7148978806999934
Energy: 0.7385803052246432
Energy: 0.7409167330100798
Energy: 0.7149154839856635
Energy: 0.7146130425120469
Energy: 0.715049649789926
Energy: 0.7148530312139966
Energy: 0.7145298862805478
Energy: 0.742937392773017
Energy: 0.7131289459771533
Energy: 0.7138353220921042
Energy: 0.7136627025917904
Energy: 0.7132255935002948
Energy: 0.7134039518959601
Energy: 0.7419538441673974
Energy: 0.7138910472621046
Energy: 0.7143608461853076
Energy: 0.712722575787914
Energy: 0.714896868239195
Energy: 0.7127553181533357
Energy: 0.7395619668076517
Energy: 0.7186895036868658
Energy: 0.7294300155089583
Energy: 0.7164522171576804
Energy: 0.7176302276652277
Energy: 0.7170038409189937
Energy: 0.7383377271852785
Energy: 0.7190856756193236
Energy: 0.7192620421373681
Energy: 0.7146759848791964
Energy: 0.7176734813482258
Energy: 0.7187697184445934
Energy: 0.7837280362679203
Energy: 0.7193665657324789
Energy: 0.7133240159352315
Energy: 0.7114260167095973
Energy: 0.7182436413103864
Energy: 0.711578318014853
Energy: 0.7720776569943321
Energy: 0.7156309010539572
Energy: 0.7502734713700339
Energy: 0.7104209730273032
Energy: 0.7153888031961463
Energy: 0.7507271315949615
Energy: 0.7835950716451426
Energy: 0.7195082652294419
Energy: 0.7202506595701142
Energy: 0.7355211932040461
Energy: 0.712420357446258
Energy: 0.7203957067552836
Energy: 0.7867089797437848
Energy: 0.7128022116200627
Energy: 0.7133973228743704
Energy: 0.7131625755675586
Energy: 0.7133165745408345
Energy: 0.7123847079021373
Energy: 0.7845018772282168
Energy: 0.7201662884288601
Energy: 0.7137210404318554
Energy: 0.7132608806593679
Energy: 0.7195163515895685
Energy: 0.7142343197387327
Energy: 0.7842471563231002
Energy: 0.70642596951457
Energy: 0.7090666059402636
Energy: 0.7141064087388757
Energy: 0.7061757627490405
Energy: 0.7249914890965546
Energy: 0.7389578854667246
Energy: 0.706207146578078
Energy: 0.7078960203836663
Energy: 0.7191422011428167
Energy: 0.7060991063332067
Energy: 0.7084701660737578
Energy: 0.7397465838226821
Energy: 0.714181353774379
Energy: 0.713619031472761
Energy: 0.7128443561379597
Energy: 0.7129399801927886
Energy: 0.7132857210303696
Energy: 0.7066059045709192
Energy: 0.7117454888250788
Energy: 0.7118969517046312
Energy: 0.713633771642676
Energy: 0.712085812956276
Energy: 0.7117373919916106
Energy: 0.7436839435821405
Energy: 0.7159992157659423
Energy: 0.7165457654424683
Energy: 0.7114717313578289
Energy: 0.7168083025558122
Energy: 0.7130005350910626
Energy: 0.830372227343165
Energy: 0.7175979182069152
Energy: 0.7181469914126524
Energy: 0.7175608524079696
Energy: 0.7135675328274755
Energy: 0.7180715827231089
Energy: 0.7867066333283101
Energy: 0.7168277835400251
Energy: 0.7202254461687281
Energy: 0.7221193056488104
Energy: 0.7139523792497842
Energy: 0.7205531059979857
Energy: 0.7411863977756968
Energy: 0.7081933990507177
Energy: 0.707964499131143
Energy: 0.7106942103590331
Energy: 0.7089390691614267
Energy: 0.7143655331260064
Energy: 0.7138417750152449
Energy: 0.7082987383335966
Energy: 0.7067386344817714
Energy: 0.713300306295997
Energy: 0.7080385051918788
Energy: 0.720000990210106
Energy: 0.7125435046462434
Energy: 0.7194887726891643
Energy: 0.719749992606568
Energy: 0.7128747424828842
Energy: 0.719560966465705
Energy: 0.7229349958651791
Energy: 0.7498560090086736
Energy: 0.7129211186472934
Energy: 0.7124726533865122
Energy: 0.7126950939929653
Energy: 0.7135145346125188
Energy: 0.7554371102165109
Energy: 0.7415585560908851
Energy: 0.714925347013054
Energy: 0.7142410775217468
Energy: 0.7188941083585406
Energy: 0.7132823273715787
Energy: 0.71950215608436
Energy: 0.782270453492325
Energy: 0.71908516505307
Energy: 0.7096777179643278
Energy: 0.7062104980756648
Energy: 0.7169124996838525
Energy: 0.7087357034666508
Energy: 0.7816371892215639
Energy: 0.7130149361809244
Energy: 0.715556958746467
Energy: 0.7287188057004791
Energy: 0.7145496570786625
Energy: 0.7176477710557452
Energy: 0.7421550026464864
Energy: 0.7133957183390403
Energy: 0.7114278496582878
Energy: 0.7135838421464218
Energy: 0.7136355916600365
Energy: 0.7121320326497161
Energy: 0.7423731667541879
Energy: 0.7137812155042121
Energy: 0.7147119096035317
Energy: 0.7137112568909393
Energy: 0.7133611458285701
Energy: 0.7152266698432902
Energy: 0.7405157595879691
Energy: 0.7162486173980805
Energy: 0.7144510558481255
Energy: 0.7186086621183867
Energy: 0.7205384445352276
Energy: 0.7246228442081455
Energy: 0.7378260086955826
Energy: 0.7190178017467541
Energy: 0.7184151036625724
Energy: 0.7133660866786325
Energy: 0.7189757147047825
Energy: 0.7180685595417303
Energy: 0.783463236576774
Energy: 0.7185784409216126
Energy: 0.7192663396908231
Energy: 0.7130692936262283
Energy: 0.7179140378831007
Energy: 0.7111914829978027
Energy: 0.772168174601137
Energy: 0.720278242845536
Energy: 0.7516443529483346
Energy: 0.710397127713703
Energy: 0.7151363259433086
Energy: 0.7510593300337921
Energy: 0.7839200511322945
Energy: 0.7189138846285591
Energy: 0.7196955328523325
Energy: 0.7295948947474513
Energy: 0.7136524493739927
Energy: 0.7201436861831101
Energy: 0.7856867616162
Energy: 0.720654069082779
Energy: 0.7201155463781194
Energy: 0.7137180731951015
Energy: 0.7197080366722335
Energy: 0.7134988793579684
Energy: 0.7853713058687406
Energy: 0.718852328837354
Energy: 0.7144070943503886
Energy: 0.7136435159192167
Energy: 0.7156409701381565
Energy: 0.7126254739872415
Energy: 0.7838002169340809
Energy: 0.7108728802577445
Energy: 0.7245852015286006
Energy: 0.7125209008609314
Energy: 0.7105895795622434
Energy: 0.7201813420654168
Energy: 0.7981245678326223
Energy: 0.7062496988110236
Energy: 0.7080228315627427
Energy: 0.7198225039301067
Energy: 0.7063386604242955
Energy: 0.7086583216566088
Energy: 0.744405416755982
Energy: 0.7119850480848798
Energy: 0.7112733197349759
Energy: 0.7113202263256021
Energy: 0.716793906584797
Energy: 0.713427412933706
Energy: 0.7585780430175016
Energy: 0.7130414640651392
Energy: 0.7112461611995666
Energy: 0.758661886399298
Energy: 0.71389050102275
Energy: 0.7113721874372428
Energy: 0.7447041114348292
Energy: 0.7139257106431184
Energy: 0.7148859599653995
Energy: 0.7130422299718696
Energy: 0.7115281697294934
Energy: 0.7124896225594077
Energy: 0.8300337126043774
Energy: 0.7173477215153988
Energy: 0.7147837931895504
Energy: 0.7177979313354909
Energy: 0.7127428405048926
Energy: 0.7177076490546392
Energy: 0.8303776589468888
Energy: 0.7198897771673792
Energy: 0.719777394198118
Energy: 0.7169663484148839
Energy: 0.7175785814864007
Energy: 0.7202854759905593
Energy: 0.7404864586212323
Energy: 0.705304082237666
Energy: 0.7068866122491847
Energy: 0.7130143974835872
Energy: 0.7070206710456519
Energy: 0.7141592966292253
Energy: 0.7148338716510493
Energy: 0.7088009196594329
Energy: 0.7085513024806989
Energy: 0.7149870678834181
Energy: 0.7087391472825786
Energy: 0.7060043596767458
Energy: 0.7157616081446301
Energy: 0.7197173963051361
Energy: 0.7199828158183953
Energy: 0.7121110736802019
Energy: 0.7192992805571952
Energy: 0.7321283357206747
Energy: 0.8087701510488514
Energy: 0.7532759610264621
Energy: 0.7217836723565334
Energy: 0.8085932029995203
Energy: 0.7117471357251801
Energy: 0.7671203768014873
Energy: 0.7424811633192692
Energy: 0.7163781227230156
Energy: 0.7117006302823146
Energy: 0.7182159736246005
Energy: 0.7123754261916564
Energy: 0.7150331328318246
Energy: 0.7710534387681673
Energy: 0.7195118235893079
Energy: 0.7090389456708784
Energy: 0.7057870623572146
Energy: 0.7198624353327583
Energy: 0.7081911689240541

minimum gb energy = 0.705304082237666 eV
minimum distance =  2.70049790428831 Angstroms
sigma value = 67


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

Energy: 1.1655161391893223
Energy: 0.794397342944064
Energy: 0.8269703477250832
Energy: 0.8270111774518335
Energy: 0.7944287245875892
Energy: 0.8283398401765905
Energy: 0.8217027396097126
Energy: 0.7802130646725143
Energy: 0.7788026589724542
Energy: 0.7785295665491136
Energy: 0.7792690082631588
Energy: 0.7786451377175774
Energy: 0.7894607517739498
Energy: 0.7404569500501863
Energy: 0.7544270894679292
Energy: 0.7553512525245599
Energy: 0.7420582623134785
Energy: 0.753939959054157
Energy: 0.7893255603410904
Energy: 0.7552067346497068
Energy: 0.7555727804402764
Energy: 0.7548651206334529
Energy: 0.7543729749109048
Energy: 0.756479671255887
Energy: 0.8202484904595687
Energy: 0.7806771548637245
Energy: 0.7799720107489615
Energy: 0.7827116396474159
Energy: 0.7795221210634029
Energy: 0.7801497216440769
Energy: 0.8211717682117569
Energy: 0.7720003961054681
Energy: 0.781880510832021
Energy: 0.7842650616603765
Energy: 0.7701678730976862
Energy: 0.7823888372139983
Energy: 0.8420918303353029
Energy: 0.7798818653705323
Energy: 0.7789758606898242
Energy: 0.7419829120116873
Energy: 0.7792292699821776
Energy: 0.7788111082477909

minimum gb energy = 0.7404569500501863 eV
minimum distance =  2.72946912883165 Angstroms
sigma value = 3


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

Energy: 1.0734980920711847
Energy: 0.9644181301882926
Energy: 0.8162465143845841
Energy: 0.9090132618033473
Energy: 0.9625252229440523
Energy: 0.8212813166421871
Energy: 0.8574141084205638
Energy: 0.9250596313049044
Energy: 0.8649546585237842
Energy: 0.8585649808107266
Energy: 0.9247585989285526
Energy: 0.8633264474849003
Energy: 0.8988593699505484
Energy: 0.8579980934831116
Energy: 0.8550900022018887
Energy: 0.8960410659308189
Energy: 0.8523549593339538
Energy: 0.8850071833999804
Energy: 0.85601577905633
Energy: 0.8642768851453972
Energy: 0.8646282424612698
Energy: 0.8581248121859308
Energy: 0.8505700804836884
Energy: 0.8666728818684132
Energy: 0.8307966378139854
Energy: 0.8260621263070331
Energy: 0.8263445707618613
Energy: 0.8309827603148758
Energy: 0.8288311917185935
Energy: 0.8267531108453852
Energy: 0.8688432432939647
Energy: 0.8256260963935709
Energy: 0.825299758398621
Energy: 0.857594268800501
Energy: 0.830688118582066
Energy: 0.8290197718990255
Energy: 0.8310413101094345
Energy: 0.82873089028147
Energy: 0.8289323586144058
Energy: 0.8239201914255134
Energy: 0.8279307366545943
Energy: 0.8297246399257326
Energy: 1.0584026708592502
Energy: 0.9088711473840686
Energy: 0.8937083743421842
Energy: 0.9107935511227506
Energy: 0.893240831525344
Energy: 0.9060912035930172
Energy: 0.8305064057371423
Energy: 0.8255846399208853
Energy: 0.881599969832576
Energy: 0.8293199945664305
Energy: 0.8248177193185728
Energy: 0.8825181060010947
Energy: 0.8662873950777719
Energy: 0.8829361447868186
Energy: 0.8991431519200899
Energy: 0.9415118996538797
Energy: 0.8784535183114908
Energy: 0.9142321967359723
Energy: 0.8756651651450744
Energy: 0.8174354177395933
Energy: 0.816079602858165
Energy: 0.8294455807600611
Energy: 0.8176098225758368
Energy: 0.8276184238442035
Energy: 0.8781131646533139
Energy: 0.8304584138101992
Energy: 0.8274980463101694
Energy: 0.8291499963223615
Energy: 0.8335038607818636
Energy: 0.8345094637535614
Energy: 0.860177465549424
Energy: 0.8254965676325396
Energy: 0.8297710372397005
Energy: 0.8204899627477723
Energy: 0.8252878951091897
Energy: 0.829700906912384
Energy: 0.911394296056528
Energy: 0.8655977525605075
Energy: 0.865192275944275
Energy: 0.8706369587206787
Energy: 0.8709617849998147
Energy: 0.8567614329880632
Energy: 0.9847912814664982
Energy: 0.8886410806431234
Energy: 0.9000358125802634
Energy: 0.8853734636163535
Energy: 0.9006346125083
Energy: 0.9017524118244118
Energy: 0.9425798033604442
Energy: 0.8708386419548031
Energy: 0.8746172039088417
Energy: 0.8787376468619523
Energy: 0.8669364810067766
Energy: 0.8698623434545325
Energy: 0.9413356951853039
Energy: 0.9093393990656046
Energy: 0.8887845228744238
Energy: 0.8592157164240694
Energy: 0.9178418910820323
Energy: 0.8345992572313429
Energy: 1.0301182687146357
Energy: 0.9211207155410265
Energy: 0.9653568991448034
Energy: 0.9130934394515317
Energy: 0.9345890100934094
Energy: 0.9285208722319219
Energy: 1.0195795263300718
Energy: 0.939470819137487
Energy: 0.921526916535132
Energy: 0.8708591167012187
Energy: 0.9685723739593608
Energy: 0.8723913924155807
Energy: 0.9256250131452892
Energy: 0.8952296397359454
Energy: 0.9439009182156963
Energy: 0.8762001031731429
Energy: 0.8854203591346532
Energy: 0.8731280239781666
Energy: 0.8409062782314781
Energy: 0.820767736280345
Energy: 0.8185453907238011
Energy: 0.8163168707373826
Energy: 0.819595535108881
Energy: 0.8189556534147278
Energy: 0.8423762223744925
Energy: 0.8335930106122544
Energy: 0.8194254321855146
Energy: 0.8165830894502316
Energy: 0.8360611208942009
Energy: 0.8183201446544357
Energy: 0.8990571020296473
Energy: 0.8625332804992384
Energy: 0.8263843463913112
Energy: 0.8738931991207866
Energy: 0.8688135645387018
Energy: 0.8222205418051981
Energy: 0.8976749793626061
Energy: 0.9055741599383221
Energy: 0.9045522025760154
Energy: 0.8742433219041134
Energy: 0.9067575947032719
Energy: 0.893032197638256
Energy: 0.8352801730582633
Energy: 0.8422339173793925
Energy: 0.8422287959827623
Energy: 0.836601561696083
Energy: 0.8399908131989354
Energy: 0.838736587060293
Energy: 0.9876864265286875
Energy: 0.8421638808755819
Energy: 0.836150988880663
Energy: 0.844249042971859
Energy: 0.840550430073025
Energy: 0.8449090751020023
Energy: 0.8473886050898668
Energy: 0.8562059781018184
Energy: 0.8572127710154753
Energy: 0.8459784144911471
Energy: 0.8518254155636961
Energy: 0.8439261471944499
Energy: 0.8354482333200446
Energy: 0.8446860977005533
Energy: 0.8409668622124133
Energy: 0.8389097000764492
Energy: 0.8400916793914236
Energy: 0.8392425639088386
Energy: 0.9054702418197392
Energy: 0.9074462124990332
Energy: 0.8845025847162242
Energy: 0.9123465096098838
Energy: 0.9066277552539876
Energy: 0.8652205778377371
Energy: 0.9551264335054586
Energy: 0.8365780914783332
Energy: 0.8321706782371634
Energy: 0.9502548294489154
Energy: 0.8637572540275816
Energy: 0.8387345662320996
Energy: 0.8732022639755136
Energy: 0.8575836552751653
Energy: 0.8604400098829563
Energy: 0.8610218211287253
Energy: 0.8807228211906435
Energy: 0.858711224102103
Energy: 0.83745808060657
Energy: 0.84257153911384
Energy: 0.8343743131083737
Energy: 0.8287840873492814
Energy: 0.8429835088925514
Energy: 0.8341335351728658
Energy: 0.968031490057591
Energy: 0.8332646837323151
Energy: 0.8896395181094856
Energy: 0.895722473742217
Energy: 0.8342669761932828
Energy: 0.855144203993876
Energy: 0.9112104194733613
Energy: 0.9203769581898892
Energy: 0.8296138113252232
Energy: 0.8550148436094563
Energy: 0.9380841777207798
Energy: 0.8276568958972951
Energy: 0.917045172465421
Energy: 0.869722105817984
Energy: 0.8834840016912356
Energy: 0.8386678997164162
Energy: 0.8700409852101079
Energy: 0.8390153749884331
Energy: 0.8762343477912259
Energy: 0.9040147941625213
Energy: 0.9101563791876375
Energy: 0.8256700371149112
Energy: 0.8814375844246257
Energy: 0.9168985447196512
Energy: 0.8771128454249064
Energy: 0.826519219328815
Energy: 0.8296618580096995
Energy: 0.8286848486496796
Energy: 0.8242209855026978
Energy: 0.8263961093624685
Energy: 0.8997109338310088
Energy: 0.857324479310258
Energy: 0.8534918345800161
Energy: 0.8356465306707507
Energy: 0.856163660014273
Energy: 0.9033588821409799
Energy: 0.9496323998035274
Energy: 0.8913898722661115
Energy: 0.8866270347214944
Energy: 0.8772775288258015
Energy: 0.8861185931712472
Energy: 0.8761071685578184
Energy: 0.8918007403396928
Energy: 0.8759989578223205
Energy: 0.8781122845789515
Energy: 0.8637325622360105
Energy: 0.8758911212812958
Energy: 0.8824452511595435
Energy: 0.9441132115602576
Energy: 0.8606857828150899
Energy: 0.8690996323165724
Energy: 0.8627952642011546
Energy: 0.8578092495211667
Energy: 0.8692614000570825
Energy: 0.9412150069287649
Energy: 0.8492030656730406
Energy: 0.8355475549052195
Energy: 0.8651425130884915
Energy: 0.9164455250122215
Energy: 0.864258451469535
Energy: 1.0772000674015185
Energy: 0.8628942853041061
Energy: 0.8615052002543246
Energy: 0.9389470760660076
Energy: 0.8588772935132872
Energy: 0.9088501606844607
Energy: 0.978795597712738
Energy: 0.8687473053305308
Energy: 0.8674521362738439
Energy: 0.9397320723908618
Energy: 0.8588702102017772
Energy: 0.8640416460055953
Energy: 1.024044380857854
Energy: 0.8492020519112804
Energy: 0.899536365311743
Energy: 0.9190655793622882
Energy: 0.8541680958426418
Energy: 0.9008647509913879
Energy: 0.8333808302558918
Energy: 0.8126938920514519
Energy: 0.8088920900560954
Energy: 0.8115586529771665
Energy: 0.8066680769050592
Energy: 0.8172182523576281
Energy: 0.8345121159600708
Energy: 0.8097782664171627
Energy: 0.815195883643514
Energy: 0.8063285785031767
Energy: 0.8177000087660227
Energy: 0.8083317720340236
Energy: 0.8339212647539529
Energy: 0.8133921904919161
Energy: 0.8093864067541987
Energy: 0.8075805377546135
Energy: 0.8126782131522676
Energy: 0.8083075568829673
Energy: 0.9024634568576959
Energy: 0.8749524985318526
Energy: 0.8649591931806467
Energy: 0.8903257584853699
Energy: 0.8758364656907879
Energy: 0.8698760942237657
Energy: 0.8985598395812197
Energy: 0.8808895927583148
Energy: 0.8818425664258324
Energy: 0.8964241864773034
Energy: 0.8759753112880714
Energy: 0.8601887393095798
Energy: 0.8460830237939352
Energy: 0.9084235953742452
Energy: 0.8960789050634761
Energy: 0.8458360550990861
Energy: 0.9162183584916824
Energy: 0.86224641346907

minimum gb energy = 0.8063285785031767 eV
minimum distance =  2.6744529932417 Angstroms
sigma value = 81


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

Energy: 1.6113010353376964
Energy: 0.9049605168997373
Energy: 0.8612255542631126
Energy: 0.8559790756297025
Energy: 0.904583173772997
Energy: 0.8900580405147711
Energy: 0.9423444793618816
Energy: 0.7804657349247495
Energy: 0.8077023254118975
Energy: 0.8059307995991059
Energy: 0.7821599828132545
Energy: 0.8042268795186932
Energy: 0.9746354634931168
Energy: 0.8279111250391505
Energy: 0.8275854770212621
Energy: 0.8146065827046692
Energy: 0.82833961836019
Energy: 0.9324729950462928
Energy: 0.9699798083290452
Energy: 0.8279468385092175
Energy: 0.7981948109426261
Energy: 0.8462599313142769
Energy: 0.8288202525320194
Energy: 0.8169490754881599
Energy: 0.9807193936692336
Energy: 0.8379493609204973
Energy: 0.8389447506560718
Energy: 0.831077922777628
Energy: 0.8373640918089245
Energy: 0.8316856602959858
Energy: 0.8535569291155166
Energy: 0.836764349244308
Energy: 0.9442239901405705
Energy: 0.847277670705384
Energy: 0.8368428359829996
Energy: 0.9656063584213591
Energy: 0.9786328419550975
Energy: 0.8358977979528202
Energy: 0.8390771775520139
Energy: 0.8380076176910609
Energy: 0.831283198588729
Energy: 0.8390533404398254
Energy: 1.0364069597788161
Energy: 1.009666031986735
Energy: 1.050121694071517
Energy: 0.8951085953708575
Energy: 1.0754393874188974
Energy: 0.8949952826766314
Energy: 0.9793898326268273
Energy: 1.0377846409015143
Energy: 1.0391149627312286
Energy: 0.9651598450460814
Energy: 0.9507115141818828
Energy: 0.9636354932100017
Energy: 0.8439117758106539
Energy: 0.8517476464923684
Energy: 0.8539657509926772
Energy: 0.9537643394544032
Energy: 0.8534871878320174
Energy: 0.8536949171376427
Energy: 0.9815024550307245
Energy: 0.8419708234978485
Energy: 0.8425648309428477
Energy: 0.9349059533147233
Energy: 0.8394904248668219
Energy: 0.9097132845736515
Energy: 0.8772627267914271
Energy: 0.9535927666515942
Energy: 0.9527505689905551
Energy: 0.8337195475463933
Energy: 0.9511033008291335
Energy: 0.9550572370538569
Energy: 0.8788555456444017
Energy: 0.9616782251403341
Energy: 0.95274505823549
Energy: 0.8282625621630209
Energy: 0.9667802824995081
Energy: 0.8282410335913267
Energy: 0.9812467287539925
Energy: 0.913711968381132
Energy: 0.9097043080438829
Energy: 0.9101699502957562
Energy: 0.9338705974738389
Energy: 0.9107182440155958
Energy: 1.0425023054499476
Energy: 0.9563299258737576
Energy: 0.9586412418643029
Energy: 0.9644689488594235
Energy: 0.9579926769248452
Energy: 0.9653946957378741
Energy: 0.9823217311405849
Energy: 0.969490870862503
Energy: 0.967985749707878
Energy: 0.9076498754203016
Energy: 0.9629876326880259
Energy: 0.9628469812489783
Energy: 1.0823074820762124
Energy: 0.9084131288468348
Energy: 0.9077586580999846
Energy: 0.9656884498706225
Energy: 0.9081351787832528
Energy: 0.8946079671082665
Energy: 1.0206273128266292
Energy: 0.9647502134851587
Energy: 1.0480972261256063
Energy: 1.0395104672969666
Energy: 0.9647260309790725
Energy: 1.0479560891695137
Energy: 0.9522466742190081
Energy: 0.9609659013452083
Energy: 0.8546375039440919
Energy: 0.8523410528178926
Energy: 0.9609664980689478
Energy: 0.8556844591617365
Energy: 0.9536631046055944
Energy: 0.9611187122655028
Energy: 0.8560689993098712
Energy: 0.8549869709876408
Energy: 0.9611645962197186
Energy: 0.8542817428950584
Energy: 0.9518290462115978
Energy: 0.9037878593782943
Energy: 0.9348324587176282
Energy: 0.9513100731426992
Energy: 0.9209395346006326
Energy: 0.9531051121576108
Energy: 0.9764844369408988
Energy: 0.8295056588072438
Energy: 0.8293968473423448
Energy: 0.9529811903006189
Energy: 0.8303916342690517
Energy: 0.831278447952481
Energy: 0.9731784083773087
Energy: 0.9053564735576943
Energy: 0.9051769937627614
Energy: 0.911519686653145
Energy: 0.9087846381785851
Energy: 0.9045401207057806
Energy: 0.988906981507993
Energy: 0.9582657218343397
Energy: 0.962707765246054
Energy: 0.9587017493340163
Energy: 0.9579570958235624
Energy: 0.9588697970371389
Energy: 0.9822549837890965
Energy: 0.9609750123124172
Energy: 0.9606486865856545
Energy: 0.9628402540690888
Energy: 0.9635789750951841
Energy: 0.9617408562374151
Energy: 0.9741556170865084
Energy: 1.0407556156130586
Energy: 1.0312895855269628
Energy: 0.8981259953896344
Energy: 1.0451672310182043
Energy: 1.0390722191223163
Energy: 0.9737314926334287
Energy: 1.0395215258585835
Energy: 1.0375913482006882
Energy: 0.8981518139948604
Energy: 1.046712876209402
Energy: 1.0444498230149637
Energy: 0.9825181394668051
Energy: 0.8391980613923382
Energy: 0.9554477768308887
Energy: 0.9629261938566026
Energy: 0.8379113948655094
Energy: 0.9573973199897547
Energy: 0.8391780748068254
Energy: 0.8537551012664344
Energy: 0.8524161067696845
Energy: 0.9770961003463323
Energy: 0.8508109311433129
Energy: 0.8652430546180389
Energy: 0.9751695242266477
Energy: 0.9500219383366237
Energy: 0.7869791670242618
Energy: 0.9396951628704483
Energy: 0.9514057825934895
Energy: 0.9028119451506168
Energy: 0.8790279794191618
Energy: 0.986677142593064
Energy: 0.9558782765731902
Energy: 0.8282477039147118
Energy: 0.9891080015350282
Energy: 0.8282807109590141
Energy: 0.9769622193173407
Energy: 0.7800502154596085
Energy: 0.7936052100361284
Energy: 0.798618795855768
Energy: 0.780857820897264
Energy: 0.7936235841524168
Energy: 1.0395561970234575
Energy: 0.8354816481602131
Energy: 0.8327401406478987
Energy: 0.8284416042699865
Energy: 0.8372059626983622
Energy: 0.8366510852270368
Energy: 1.0385325344886864
Energy: 0.8327186831658283
Energy: 0.8318508628454727
Energy: 0.8364012343175266
Energy: 0.8339300376444466
Energy: 0.8381559616207797
Energy: 1.0344346361386547
Energy: 0.8328980345032452
Energy: 0.8384175113483668
Energy: 0.8311827912904942
Energy: 0.8991174134272022
Energy: 0.8304302932616882
Energy: 1.0485181121678553
Energy: 0.9000693577645758
Energy: 0.9008240823701628
Energy: 0.907733468745942
Energy: 0.9004044927545729
Energy: 1.0307481388585444
Energy: 1.1210493064809306
Energy: 0.8338997365200789
Energy: 0.8346181625496433
Energy: 0.910833551381929
Energy: 0.8335647905142242
Energy: 0.8332422535224169
Energy: 1.0102166071040508
Energy: 0.8494293921316968
Energy: 0.8604179855532958
Energy: 0.8597328642782709
Energy: 0.8493858232151132
Energy: 0.9335741804293625

minimum gb energy = 0.7800502154596085 eV
minimum distance =  2.58122213612679 Angstroms
sigma value = 43


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

Energy: 1.168215399545761
Energy: 0.8580004838220068
Energy: 0.8143873487951027
Energy: 0.9145176330162003
Energy: 0.8577597044559622
Energy: 0.9484579731249968
Energy: 0.8550080099307794
Energy: 0.7880645846806985
Energy: 0.8205199538232487
Energy: 0.8536759500811271
Energy: 0.7854073122778022
Energy: 0.8102726117126822
Energy: 0.8453184415103254
Energy: 0.8371267556307439
Energy: 0.837838169122727
Energy: 0.8760792287178764
Energy: 0.8366118947216333
Energy: 0.8596248384620533
Energy: 0.8924254543571433
Energy: 0.8369792251760546
Energy: 0.8108521884138973
Energy: 0.8924680091958241
Energy: 0.8453181107278599
Energy: 0.8118569731347267
Energy: 0.8030319837005591
Energy: 0.7669675031803962
Energy: 0.7669395754673444
Energy: 0.7696926217684896
Energy: 0.7670359846961938
Energy: 0.7668908547907639
Energy: 0.8002112651930176
Energy: 0.767139143980935
Energy: 0.7671301893915512
Energy: 0.7671365967323515
Energy: 0.7672023820084011
Energy: 0.7672317529613941
Energy: 0.7986005589970684
Energy: 0.770680568876419
Energy: 0.7673459448395011
Energy: 0.7669076248564709
Energy: 0.7641091271018436
Energy: 0.7670403938540293
Energy: 0.8887808678548897
Energy: 0.8686915058315726
Energy: 0.8658394686327618
Energy: 0.8286163660701199
Energy: 0.8668460962949761
Energy: 0.8651597844945496
Energy: 0.8002360996410393
Energy: 0.859791073130536
Energy: 0.8587027340610168
Energy: 0.7842395675978037
Energy: 0.8629837981790707
Energy: 0.8591555568821999
Energy: 0.9386827391124254
Energy: 0.8743854578094361
Energy: 0.8725610429517843
Energy: 0.8481741351749216
Energy: 0.8810267226893398
Energy: 0.877294453345923
Energy: 0.8031479498278937
Energy: 0.9009983479893349
Energy: 0.8902252725700186
Energy: 0.7885398359266853
Energy: 0.828007315353781
Energy: 0.7846680141256543
Energy: 0.921712701018661
Energy: 0.8593938810239065
Energy: 0.8591150512680635
Energy: 0.7684423001481726
Energy: 0.8538201782974609
Energy: 0.852127117084591
Energy: 0.9171630979514499
Energy: 0.8655935836904344
Energy: 0.8846071988832139
Energy: 0.8483100995576234
Energy: 0.864820053735692
Energy: 0.8809129514477605
Energy: 0.8019476789308531
Energy: 0.787928528782793
Energy: 0.7850063503346746
Energy: 0.7872772833057716
Energy: 0.7878304583575495
Energy: 0.7844850033359551
Energy: 0.8008569429903413
Energy: 0.8039343222614332
Energy: 0.7894223469382285
Energy: 0.7893058718031555
Energy: 0.7695039142334009
Energy: 0.782940584747415
Energy: 0.7979755743112896
Energy: 0.768042820609113
Energy: 0.8609275442694779
Energy: 0.798243787304132
Energy: 0.7676767095350913
Energy: 0.7856050851608626
Energy: 0.8246428666266215
Energy: 0.8231666651606665
Energy: 0.8206597680109925
Energy: 0.8290603853871596
Energy: 0.7945132485312717
Energy: 0.8207355444523347
Energy: 0.8266085344211038
Energy: 0.8284178536695176
Energy: 0.8299292971977381
Energy: 0.823710505660944
Energy: 0.8146146882152229
Energy: 0.8288927881177697
Energy: 0.9720862406522116
Energy: 0.8204809314798308
Energy: 0.8254460005529103
Energy: 0.8726141753837042
Energy: 0.8171622966204923
Energy: 0.8613871302082262
Energy: 0.9759919671369142
Energy: 0.8205103606292662
Energy: 0.8214312811920675
Energy: 0.8725245579581472
Energy: 0.8246255181605264
Energy: 0.861812593391013
Energy: 0.8272351264792605
Energy: 0.8195269489079745
Energy: 0.8147378643317215
Energy: 0.827522949431288
Energy: 0.7950967717015119
Energy: 0.8148429732291499
Energy: 0.8802507895266978
Energy: 0.8925913648558522
Energy: 0.9120215855503396
Energy: 0.811530498168015
Energy: 0.8516738997817721
Energy: 0.9835210257309753
Energy: 0.9326738035414628
Energy: 0.8260648882959956
Energy: 0.8267216731404092
Energy: 0.818885311011488
Energy: 0.8172314993886166
Energy: 0.8267795053283629
Energy: 0.8569220980252708
Energy: 0.8159129553582509
Energy: 0.8305543660285116
Energy: 0.8028385169463942
Energy: 0.830729597908305
Energy: 0.8209206206347974
Energy: 0.9342827429088982
Energy: 0.8270602175350084
Energy: 0.821457813023515
Energy: 0.8144715700806848
Energy: 0.8275298371785967
Energy: 0.8237678738159198
Energy: 0.8323672100923675
Energy: 0.7833255559451412
Energy: 0.7901989560915899
Energy: 0.7884434026033152
Energy: 0.7851158165569936
Energy: 0.7903880281158665
Energy: 0.8322058145716105
Energy: 0.7853808015703401
Energy: 0.7884394245617847
Energy: 0.7881146163011662
Energy: 0.7919154526371427
Energy: 0.7886589654614236
Energy: 0.830651208502187
Energy: 0.7875077631686859
Energy: 0.7870454447137247
Energy: 0.7967516915595501
Energy: 0.7842498304137441
Energy: 0.787105535932062
Energy: 0.8708353037382158
Energy: 0.8622441244630811
Energy: 0.867090729158745
Energy: 0.8708256456827227
Energy: 0.8324074280758591
Energy: 0.8082848070711206
Energy: 0.8554440440670512
Energy: 0.788662159129224
Energy: 0.7881569731895394
Energy: 0.8667408441435616
Energy: 0.7864463622121347
Energy: 0.8107021511090664
Energy: 0.9820248662791584
Energy: 0.8194669347245993
Energy: 0.8506473361492549
Energy: 0.9035214333276705
Energy: 0.8198289239694886
Energy: 0.8440003905598926

minimum gb energy = 0.7641091271018436 eV
minimum distance =  2.6762666378543 Angstroms
sigma value = 57


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

Energy: 1.0482416707253783
Energy: 1.0144373043066797
Energy: 0.9840015168365407
Energy: 0.8104119826457867
Energy: 0.8791667465572429
Energy: 0.983854314598209
Energy: 0.8199905179343085
Energy: 0.749400594583259
Energy: 0.7505399314515858
Energy: 0.7540051971039299
Energy: 0.7485354311893373
Energy: 0.7506993080893654
Energy: 0.8189017147972782
Energy: 0.7566078625299315
Energy: 0.7565288688919816
Energy: 0.8311741602848872
Energy: 0.7551279198633698
Energy: 0.7564588812268251
Energy: 0.8608493159996616
Energy: 0.7543516469042064
Energy: 0.7543216366970854
Energy: 0.8611504786091951
Energy: 0.7493203488919905
Energy: 0.7488768495444242
Energy: 0.7833192762392556
Energy: 0.7482441954865584
Energy: 0.7479886577829209
Energy: 0.7501601866950365
Energy: 0.7508860317624735
Energy: 0.7488557929594426
Energy: 0.765498855745764
Energy: 0.749186915021566
Energy: 0.749432025799805
Energy: 0.748404984170169
Energy: 0.7482591479786498
Energy: 0.7493279386049071
Energy: 0.8896296560112233
Energy: 0.7531116694379734
Energy: 0.7498557711635682
Energy: 0.7492107145204508
Energy: 0.8637896861882522
Energy: 0.748428319075654
Energy: 0.78910811374799
Energy: 0.8501762857839271
Energy: 0.8276728813245436
Energy: 0.7592408710349886
Energy: 0.8091538835480296
Energy: 0.7828656216036696
Energy: 0.8892219526694486
Energy: 0.8285060471634709
Energy: 0.8276919266124854
Energy: 0.753418694884257
Energy: 0.8323195052882727
Energy: 0.7523034328747501
Energy: 1.0637259552320464
Energy: 0.8555999549900177
Energy: 0.8544890999054209
Energy: 0.9867549932858255
Energy: 0.8545992319271138
Energy: 0.8497778223243035
Energy: 0.8617688889527323
Energy: 0.7720485745053961
Energy: 0.7484015892872835
Energy: 0.8306753597315994
Energy: 0.7585492400726448
Energy: 0.8261029075260385
Energy: 0.7632797424801323
Energy: 0.8274388984562716
Energy: 0.8259579799704049
Energy: 0.757096730828976
Energy: 0.8272656338660815
Energy: 0.8682198466092491
Energy: 0.7627173377750867
Energy: 0.8519681855986567
Energy: 0.8814252406651443
Energy: 0.8825937457471125
Energy: 0.8513471973011307
Energy: 0.8948774345280597
Energy: 0.8646135316911507
Energy: 0.7509276779607211
Energy: 0.7505932356544421
Energy: 0.8308998942363109
Energy: 0.7535958866833672
Energy: 0.7490404406972717
Energy: 0.8624721948766735
Energy: 0.7521372953317732
Energy: 0.7515651320623229
Energy: 0.8113173440136319
Energy: 0.7518668793432731
Energy: 0.7562385180117412
Energy: 0.8620651860273
Energy: 0.7508896928853519
Energy: 0.7501494325655026
Energy: 0.8625651200414614
Energy: 0.7495539822257692
Energy: 0.7518514741951549
Energy: 0.7816490508654446
Energy: 0.749517668948184
Energy: 0.7494907367195534
Energy: 0.7496870597492488
Energy: 0.7491587775494508
Energy: 0.749176240245909
Energy: 0.783271358131498
Energy: 0.7495503377952436
Energy: 0.7498576914919319
Energy: 0.7478253538595119
Energy: 0.7496226467246937
Energy: 0.7497695538923862
Energy: 0.8894752971199227
Energy: 0.8511478963610339
Energy: 0.8284988501511387
Energy: 0.7495317484087733
Energy: 0.8122702549862899
Energy: 0.8287720215331272
Energy: 0.889211229197904
Energy: 0.8304115151180848
Energy: 0.8316042938982311
Energy: 0.7496098841588986
Energy: 0.8516650121704198
Energy: 0.8298716054961294
Energy: 0.8867656486260287
Energy: 0.7531357703064399
Energy: 0.750584979598677
Energy: 0.752509911002329
Energy: 0.8293814987374902
Energy: 0.7497733375102842
Energy: 0.9628033405501412
Energy: 0.8545909032338566
Energy: 0.8830992472991201
Energy: 0.822071694323336
Energy: 0.8575353548248409
Energy: 0.7962964019441998
Energy: 0.8730064559570603
Energy: 0.8314692205937539
Energy: 0.754310900515161
Energy: 0.8277486443702244
Energy: 0.8294865786355404
Energy: 0.7508583045862635
Energy: 0.7622014358531073
Energy: 0.8320681368993318
Energy: 0.8830518547756909
Energy: 0.8949652109866204
Energy: 0.8522703452002341
Energy: 0.8946476587915689

minimum gb energy = 0.7478253538595119 eV
minimum distance =  2.70261446853413 Angstroms
sigma value = 17


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

Energy: 1.096050424432022
Energy: 0.8114202605673668
Energy: 0.9158894470903371
Energy: 0.7760387594932723
Energy: 0.9183539840461596
Energy: 0.7349134404583914
Energy: 0.9444493893303505
Energy: 0.7327373937616801
Energy: 0.7335528039229628
Energy: 0.8820523663162858
Energy: 0.835567942729932
Energy: 0.7334725582183113
Energy: 0.7898089828739314
Energy: 0.7091941042557549
Energy: 0.7074462290449658
Energy: 0.7859742768512072
Energy: 0.7098941164843078
Energy: 0.7060307235138203
Energy: 0.8895408916539809
Energy: 0.7091213010229416
Energy: 0.7078554643008332
Energy: 0.8895734583782209
Energy: 0.7082501712793464
Energy: 0.7338280153740729
Energy: 0.9014836881649644
Energy: 0.6833257671526803
Energy: 0.6831184011774445
Energy: 0.8072597838463206
Energy: 0.6838325862748145
Energy: 0.68408062433379
Energy: 0.7744020811651462
Energy: 0.69157487914946
Energy: 0.6915314527503288
Energy: 0.6695121595679743
Energy: 0.6915596881773693
Energy: 0.6680643706585389
Energy: 0.7505690592273291
Energy: 0.6705187864536197
Energy: 0.6682619232746149
Energy: 0.669082161945855
Energy: 0.8216791106902477
Energy: 0.6680626459482696
Energy: 0.7497076284148159
Energy: 0.6687970339507986
Energy: 0.6686642943844676
Energy: 0.6686575684423609
Energy: 0.6703117062711852
Energy: 0.6699255444859715
Energy: 0.8226165016163315
Energy: 0.667807515357621
Energy: 0.6671481471687614
Energy: 0.8227822932687513
Energy: 0.6680919485349686
Energy: 0.6673019520887137
Energy: 0.8231132770374956
Energy: 0.6914067970352064
Energy: 0.6913114225293052
Energy: 0.7588635629298134
Energy: 0.6916782744050133
Energy: 0.6914047174302572
Energy: 0.7219258352396718
Energy: 0.6849313589909318
Energy: 0.6841226149243897
Energy: 0.6836608139984646
Energy: 0.6835657000028322
Energy: 0.6834635968984616
Energy: 0.9036552487827684
Energy: 0.8362868976317207
Energy: 0.7327275732719497
Energy: 0.6942598219710961
Energy: 0.890561317988868
Energy: 0.7347913291169585
Energy: 0.8477241639135522
Energy: 0.786061441316851
Energy: 0.7664763206152666
Energy: 0.6950096589876141
Energy: 0.786194056600279
Energy: 0.7666302394982593
Energy: 0.9147304897559523
Energy: 0.7663837691428945
Energy: 0.7121314974317279
Energy: 0.8672783392952249
Energy: 0.7806158747138608
Energy: 0.7131778134146375
Energy: 0.8304159014274808
Energy: 0.8330620933937273
Energy: 0.8178768931918666
Energy: 0.8168830157889228
Energy: 0.8325225656702695
Energy: 0.8176520721308903
Energy: 0.8444399742205732
Energy: 0.8866641944335811
Energy: 0.7337455674765463
Energy: 0.7650123470625645
Energy: 0.7807628073191966
Energy: 0.7324498261235471
Energy: 0.9243159878540705
Energy: 0.7661345531963569
Energy: 0.8667937143658531
Energy: 0.7178544562952002
Energy: 0.7856219843846174
Energy: 0.8948299898157782

minimum gb energy = 0.6671481471687614 eV
minimum distance =  2.62048928031556 Angstroms
sigma value = 17


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

Energy: 0.759348908551598
Energy: 0.9633738545721119
Energy: 0.7188572310728772
Energy: 0.6622284855282956
Energy: 0.7163156633229675
Energy: 0.7163308712598695
Energy: 0.974587471196289
Energy: 0.7170392368622988
Energy: 0.6339015585211064
Energy: 0.7033472973947189
Energy: 0.7162653554874966
Energy: 0.6604139123012885
Energy: 1.0402447159186612
Energy: 0.619276204271971
Energy: 0.6501299429602904
Energy: 0.6913280443085491
Energy: 0.6197857540841023
Energy: 0.6500176989114107
Energy: 0.8816583334118265
Energy: 0.6514571249864884
Energy: 0.6506209694640361
Energy: 0.8826604778541148
Energy: 0.6130966960806018
Energy: 0.6500674139706654
Energy: 0.7922826185528187
Energy: 0.6296845479070966
Energy: 0.6302300957862195
Energy: 0.7311493157640097
Energy: 0.6298517946743558
Energy: 0.6307166984736048
Energy: 0.7404488000129726
Energy: 0.6291656990534418
Energy: 0.6123422676400031
Energy: 0.6161854519892042
Energy: 0.6293444537901036
Energy: 0.6127028997613044
Energy: 0.7531444462834369
Energy: 0.7096569433544216
Energy: 0.6959699610368646
Energy: 0.6063932986378748
Energy: 0.7842028840438469
Energy: 0.6115149924888131
Energy: 0.6729514630265453
Energy: 0.601339805194725
Energy: 0.6056595048440218
Energy: 0.610950228614134
Energy: 0.6023415430398809
Energy: 0.6081685353456533
Energy: 0.7527628723675949
Energy: 0.607343333025824
Energy: 0.6066789958643234
Energy: 0.753704925628532
Energy: 0.614916375917062
Energy: 0.6064050964654609
Energy: 0.7517766390009579
Energy: 0.6020805140705315
Energy: 0.6013101861564865
Energy: 0.7539434330264774
Energy: 0.6024666118841671
Energy: 0.601052354737766
Energy: 0.7296205332972631
Energy: 0.6023588351840331
Energy: 0.6017657594561415
Energy: 0.6030377748106504
Energy: 0.751926475633866
Energy: 0.6015611693807514
Energy: 0.7513166154849813
Energy: 0.7505635196895871
Energy: 0.605612763704434
Energy: 0.6108250666466436
Energy: 0.7560939296986668
Energy: 0.6061782195552016
Energy: 0.7164374348669007
Energy: 0.6055605341663353
Energy: 0.6049004088547901
Energy: 0.6077075783893859
Energy: 0.6128305320485381
Energy: 0.6053145485972533
Energy: 0.7820125075283106
Energy: 0.6114249065548274
Energy: 0.6110564338563187
Energy: 0.7830857390251444
Energy: 0.6153666961845972
Energy: 0.6071289437141313
Energy: 0.7812786887996146
Energy: 0.6182599693855972
Energy: 0.6185828927374082
Energy: 0.6302980446934296
Energy: 0.610615962213902
Energy: 0.6304161496125814
Energy: 0.7846969356882079
Energy: 0.6301754975676128
Energy: 0.6311554947028686
Energy: 0.629657721482874
Energy: 0.7967154987600104
Energy: 0.6312920254706504
Energy: 0.7523549870068041
Energy: 0.6919049293883595
Energy: 0.6929707228537445
Energy: 0.6330743182109936
Energy: 0.7009150231514113
Energy: 0.6358700038361292
Energy: 0.795341607845876
Energy: 0.6916897556783939
Energy: 0.6915969095456588
Energy: 0.623089168316482
Energy: 0.6913700948221823
Energy: 0.6354999161831731
Energy: 0.8910258959601454
Energy: 0.7019146268402084
Energy: 0.660863232100308
Energy: 0.8076717601012344
Energy: 0.6361809064815093
Energy: 0.6298990856720722
Energy: 0.9596213588146565
Energy: 0.6626998761755228
Energy: 0.6623596117327308
Energy: 0.7078926407916482
Energy: 0.6638216052310555
Energy: 0.7353595054843667
Energy: 0.9769220493225415
Energy: 0.703709608630488
Energy: 0.6636392322556546
Energy: 0.7066680240047097
Energy: 0.7033162420515157
Energy: 0.6631425057364704
Energy: 0.7591835245278704
Energy: 0.724816305843148
Energy: 0.7537634561111991
Energy: 0.6603541295907566
Energy: 0.7352030660935049
Energy: 0.658892336460907
Energy: 0.7630820503556484
Energy: 0.6917229834547427
Energy: 0.8071111142777043
Energy: 0.6184275863144081
Energy: 0.7255518773415515
Energy: 0.675963287098073
Energy: 1.0585162011223788
Energy: 0.6542846272979096
Energy: 0.6607383397883109
Energy: 0.6908794583011522
Energy: 0.6125459108647289
Energy: 0.6921273081967548
Energy: 0.878643105789713
Energy: 0.6198420754172863
Energy: 0.650503867540474
Energy: 0.7020778054205079
Energy: 0.6204903997913117
Energy: 0.6499638397182714
Energy: 0.8819497966955085
Energy: 0.6369395489287208
Energy: 0.6363043672653057
Energy: 0.7153653485839491
Energy: 0.6370069766010479
Energy: 0.630752659831907
Energy: 0.7424629654841827
Energy: 0.6285541895411026
Energy: 0.629540499716129
Energy: 0.6158439051625975
Energy: 0.6292904726535721
Energy: 0.6361515874518605
Energy: 0.7440404295821627
Energy: 0.7073146706670341
Energy: 0.6289105796406197
Energy: 0.6807002850902826
Energy: 0.7852962262405662
Energy: 0.6311185201240627
Energy: 0.6654136731081608
Energy: 0.6075204934452997
Energy: 0.6072789227949632
Energy: 0.6067396666609526
Energy: 0.640914597187447
Energy: 0.6065442211607368
Energy: 0.7535798622540034
Energy: 0.6014146427225937
Energy: 0.6057818471631419
Energy: 0.7528076752221572
Energy: 0.6023920209152756
Energy: 0.6051517523015095
Energy: 0.7524026127171244
Energy: 0.6046076372535446
Energy: 0.6047625771545673
Energy: 0.7513409512242607
Energy: 0.6043273130155857
Energy: 0.6046957653335974
Energy: 0.677928362057521
Energy: 0.605637109573355
Energy: 0.6058855475877019
Energy: 0.6086341150340555
Energy: 0.6034166734011319
Energy: 0.6062399272830902
Energy: 0.7565201634612915
Energy: 0.7510413582400588
Energy: 0.7514921751686867
Energy: 0.688875947055511
Energy: 0.7521448435657432
Energy: 0.6860423314825184
Energy: 0.7141310898070568
Energy: 0.6149664144836546
Energy: 0.6116686976034196
Energy: 0.6094977848344559
Energy: 0.6139750890110407
Energy: 0.6080825411504793
Energy: 0.7833402468960275
Energy: 0.6089278839810578
Energy: 0.6088452612656203
Energy: 0.783684112789639
Energy: 0.608890205431672
Energy: 0.6085128118036373
Energy: 0.7828661158512068
Energy: 0.6108692779005105
Energy: 0.6305359367312117
Energy: 0.7829445103994019
Energy: 0.6116350939528404
Energy: 0.6300174002182789
Energy: 0.7099455956392217
Energy: 0.6308207186429413
Energy: 0.6302022152756297
Energy: 0.6294652687019286
Energy: 0.6321989138328797
Energy: 0.6296093904304706
Energy: 0.7505978069003529
Energy: 0.7235964148217967
Energy: 0.6292590707844833
Energy: 0.6293604274809725
Energy: 0.8809365397079072
Energy: 0.661360109687502
Energy: 0.7494513610137225
Energy: 0.6895086919374188
Energy: 0.6631575891840612
Energy: 0.6383060648163507
Energy: 0.7064623897283061
Energy: 0.6584237386205087
Energy: 0.7814358920141016
Energy: 0.7052420122813621
Energy: 0.7050415871248542
Energy: 0.6342174332483038
Energy: 0.7044901187218576
Energy: 0.6645413644729394
Energy: 0.9804090624982259
Energy: 0.6444510033633863
Energy: 0.7315648533464908
Energy: 0.7341696139624018
Energy: 0.6446271911058776
Energy: 0.7438343602699935
Energy: 0.9576719551415152
Energy: 0.6847889501648953
Energy: 0.6670336492506275
Energy: 0.6907772955068819
Energy: 0.6346706052332555
Energy: 0.6919462977955823
Energy: 0.7570771324739214
Energy: 0.6901131987735689
Energy: 0.6913795330785333
Energy: 0.7343970693260579
Energy: 0.6910073590351471
Energy: 0.6763873500673074

minimum gb energy = 0.601052354737766 eV
minimum distance =  2.70161031561638 Angstroms
sigma value = 57


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

Energy: 0.6846235748359079
Energy: 0.8465803145611771
Energy: 0.6584124703920767
Energy: 0.5737160084676939
Energy: 0.855285241102696
Energy: 0.6592444252124979
Energy: 0.9061006604065946
Energy: 0.5900276893175418
Energy: 0.588581402827457
Energy: 0.6443365005780725
Energy: 0.6568425150277766
Energy: 0.6130474499861718
Energy: 0.9642972219773909
Energy: 0.5698040490904869
Energy: 0.5693836910287202
Energy: 0.6356073451868031
Energy: 0.569457496101328
Energy: 0.5998133918270148
Energy: 0.8305128276629962
Energy: 0.5692323451675105
Energy: 0.5996824124725652
Energy: 0.6511953371474425
Energy: 0.563471628158303
Energy: 0.5997527094595004
Energy: 0.7339483168478895
Energy: 0.591662070104535
Energy: 0.5834040575456011
Energy: 0.5919620078824922
Energy: 0.5913368067064213
Energy: 0.5813547198840143
Energy: 0.6725863332223951
Energy: 0.581426492309936
Energy: 0.5661330805737377
Energy: 0.5546078652673516
Energy: 0.5805759997288872
Energy: 0.567227546791546
Energy: 0.6961670042689235
Energy: 0.6619248023889251
Energy: 0.5913961885719766
Energy: 0.5609261033626645
Energy: 0.7420255361910908
Energy: 0.560478417400915
Energy: 0.6970489637045647
Energy: 0.550408482117616
Energy: 0.5506006207774091
Energy: 0.5660435374122098
Energy: 0.5503685386737511
Energy: 0.5579507686886889
Energy: 0.6994988559142234
Energy: 0.5606016073053178
Energy: 0.557046372965715
Energy: 0.7009740162635871
Energy: 0.5608101805986606
Energy: 0.5656415773420033
Energy: 0.6978188978015389
Energy: 0.5497063411238086
Energy: 0.5502868131541427
Energy: 0.6288126958244281
Energy: 0.5494788727295521
Energy: 0.5502393482874407
Energy: 0.6817587301487928
Energy: 0.5458312819320279
Energy: 0.5449822188410639
Energy: 0.5461796061213585
Energy: 0.677678347802307
Energy: 0.5455766066927419
Energy: 0.70021615227037
Energy: 0.6772484799425098
Energy: 0.6197505932101472
Energy: 0.549693064085728
Energy: 0.6813119090535801
Energy: 0.5528718792599501
Energy: 0.7100444225001598
Energy: 0.6449189661072642
Energy: 0.5473608578801289
Energy: 0.547399882425134
Energy: 0.6437315624231804
Energy: 0.5463878410020885
Energy: 0.6778063120713445
Energy: 0.5506864356019038
Energy: 0.5504930512150542
Energy: 0.6793914173503823
Energy: 0.547595507958555
Energy: 0.682658877244189
Energy: 0.6768532954033216
Energy: 0.5471012681806936
Energy: 0.5463950999717007
Energy: 0.623223544633743
Energy: 0.5472601401333487
Energy: 0.5456025490825843
Energy: 0.7114982194930662
Energy: 0.6300911843513843
Energy: 0.5543812798428538
Energy: 0.5475932839105312
Energy: 0.7063002576556417
Energy: 0.5541469592052418
Energy: 0.6790125734927018
Energy: 0.6322936216434392
Energy: 0.5558048359476238
Energy: 0.5486952712201365
Energy: 0.7034262180923284
Energy: 0.5571034000535965
Energy: 0.6796219243408141
Energy: 0.5559056587031678
Energy: 0.5561511416640517
Energy: 0.5864109221122897
Energy: 0.5564304356537837
Energy: 0.5567026474456916
Energy: 0.7395394920458758
Energy: 0.5617439004927642
Energy: 0.561453571670937
Energy: 0.7406740123236336
Energy: 0.5687383339386056
Energy: 0.5905833089722564
Energy: 0.7397631104681746
Energy: 0.5753665350184255
Energy: 0.5732820152318047
Energy: 0.5880738710065087
Energy: 0.5735208232991037
Energy: 0.5846301743424878
Energy: 0.8388822679254191
Energy: 0.5890933132649476
Energy: 0.5809846960288146
Energy: 0.5882848538157294
Energy: 0.5855025670726364
Energy: 0.5892366842090613
Energy: 0.6780906584718215
Energy: 0.6363493990721839
Energy: 0.5851885906641205
Energy: 0.5629508382661079
Energy: 0.6345705304339032
Energy: 0.5857558942366876
Energy: 0.7507190828310637
Energy: 0.633707574741284
Energy: 0.6357570095030853
Energy: 0.6058210889020564
Energy: 0.6333298979464124
Energy: 0.6355319084110992
Energy: 0.9100240011514705
Energy: 0.5884439220269824
Energy: 0.5810876171868106
Energy: 0.5813635553757265
Energy: 0.5985275416315765
Energy: 0.580882528633163
Energy: 0.9699281363519919
Energy: 0.5914268207484683
Energy: 0.5914897611032681
Energy: 0.6536085951663804
Energy: 0.5915325553707691
Energy: 0.6650277819755602
Energy: 0.9834490345140198
Energy: 0.6454684231251896
Energy: 0.6461093592522361
Energy: 0.6455954903786308
Energy: 0.6440661914956421
Energy: 0.6146523358893089
Energy: 0.6826482078846691
Energy: 0.6547473071998631
Energy: 0.6297138958279564
Energy: 0.5743964942439859
Energy: 0.6542977033851715
Energy: 0.6056835922028002

minimum gb energy = 0.5449822188410639 eV
minimum distance =  2.70680324708537 Angstroms
sigma value = 43


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

Energy: 0.5734403989475353
Energy: 0.6730689674650535
Energy: 0.5784915492837468
Energy: 0.49340509753245154
Energy: 0.6728625985697732
Energy: 0.5523252855301439
Energy: 0.783281880028293
Energy: 0.4715007073814996
Energy: 0.4719394605795353
Energy: 0.5250500484123322
Energy: 0.47141272399616
Energy: 0.4725807273043756
Energy: 0.8089709114607276
Energy: 0.4734887556066071
Energy: 0.48162055573132334
Energy: 0.5144174602752267
Energy: 0.47337796761848305
Energy: 0.4813789686094702
Energy: 0.7182942855414857
Energy: 0.48188768289971295
Energy: 0.4817788338416622
Energy: 0.5000953150473072
Energy: 0.5808738845065459
Energy: 0.49237340845817634
Energy: 0.6421677014201808
Energy: 0.47140233262264375
Energy: 0.47179111794059025
Energy: 0.47828114449874476
Energy: 0.47140458807597746
Energy: 0.47207279639382554
Energy: 0.5583057972323595
Energy: 0.47273344072876566
Energy: 0.47000113598361315
Energy: 0.5246572196878375
Energy: 0.4729552796835341
Energy: 0.5022035381045051
Energy: 0.7180954411117312
Energy: 0.47160560319014794
Energy: 0.47271194937220834
Energy: 0.457378198077188
Energy: 0.554269847527533
Energy: 0.45834984904550896
Energy: 0.7171350540253214
Energy: 0.45456137600008867
Energy: 0.45582240418793607
Energy: 0.49833544237085253
Energy: 0.45444169796935874
Energy: 0.4552860278016104
Energy: 0.6026303359817032
Energy: 0.456033440219554
Energy: 0.45805379220701686
Energy: 0.6037556518556954
Energy: 0.4626757083514064
Energy: 0.4574633292438678
Energy: 0.6000432055961493
Energy: 0.44907010858478424
Energy: 0.44908688638507105
Energy: 0.5931410925246696
Energy: 0.44957512495088453
Energy: 0.4492192797756395
Energy: 0.5541263360200367
Energy: 0.48546964682241867
Energy: 0.4475665506020742
Energy: 0.44851511872798966
Energy: 0.5768888753088548
Energy: 0.4471566941586843
Energy: 0.6006075550300273
Energy: 0.5774233806486639
Energy: 0.5033956043518523
Energy: 0.45055685118673505
Energy: 0.5765183435012359
Energy: 0.44976830508204935
Energy: 0.6032949048466834
Energy: 0.5058443881269801
Energy: 0.5093493602590786
Energy: 0.4922382198747123
Energy: 0.5058029295755923
Energy: 0.5097809752010541
Energy: 0.5623128348144862
Energy: 0.3672858591527017
Energy: 0.5452342992288428
Energy: 0.5638600415646481
Energy: 0.4498898901404176
Energy: 0.5470319004726968
Energy: 0.5618515562770384
Energy: 0.44249132489601545
Energy: 0.44531514452365895
Energy: 0.5460819370779939
Energy: 0.4429199208154331
Energy: 0.4436493125422169
Energy: 0.5581334129210431
Energy: 0.5536095816345994
Energy: 0.4421655317668832
Energy: 0.4434274620709605
Energy: 0.5559358852206208
Energy: 0.44186712223257385
Energy: 0.5654182075328723
Energy: 0.5534881609299296
Energy: 0.500765809007806
Energy: 0.4457236539560341
Energy: 0.555802614812397
Energy: 0.4443878615053866
Energy: 0.5554037680680245
Energy: 0.5003352972155797
Energy: 0.444333531261677
Energy: 0.5001506360772567
Energy: 0.5002309039576773
Energy: 0.4440295567735868
Energy: 0.5552317877294501
Energy: 0.49649862638878745
Energy: 0.5387588023008948
Energy: 0.5566572450314918
Energy: 0.4959692368848142
Energy: 0.5406324354193986
Energy: 0.5552816594580327
Energy: 0.502278964756848
Energy: 0.4487479018618382
Energy: 0.4430021255843064
Energy: 0.5024529356606163
Energy: 0.4482523573924279
Energy: 0.5794436219529422
Energy: 0.5585510278565968
Energy: 0.5024884007565029
Energy: 0.449447004095345
Energy: 0.5624592224672659
Energy: 0.44823982762649967
Energy: 0.5598481882074309
Energy: 0.5557002908403545
Energy: 0.44273816720182596
Energy: 0.44389438640869283
Energy: 0.5631170070721544
Energy: 0.44289634116790666
Energy: 0.5760422733389119
Energy: 0.4431399794513239
Energy: 0.44318852005330633
Energy: 0.5589115313491955
Energy: 0.44347272607905114
Energy: 0.44385821512161966
Energy: 0.5767963311050747
Energy: 0.45330222869631814
Energy: 0.5587626460803061
Energy: 0.5783248669897901
Energy: 0.4579357091482134
Energy: 0.5599127656047888
Energy: 0.6401634828349801
Energy: 0.5128066674983437
Energy: 0.5223958386252006
Energy: 0.49103584599597877
Energy: 0.48247621188833845
Energy: 0.5224350867942288
Energy: 0.6408471767168396
Energy: 0.5283376854752504
Energy: 0.4587995334375971
Energy: 0.447946564963293
Energy: 0.6009019700654756
Energy: 0.4470141536333246
Energy: 0.5564172883882622
Energy: 0.4578145532106534
Energy: 0.4578932415501142
Energy: 0.4555239798769564
Energy: 0.6003486377234786
Energy: 0.4552685062280085
Energy: 0.6178388179282065
Energy: 0.45671589913673916
Energy: 0.457400464369619
Energy: 0.5367493277637421
Energy: 0.4565889909452013
Energy: 0.4580835731854789
Energy: 0.6402208929836319
Energy: 0.46841203032379514
Energy: 0.4721361102517065
Energy: 0.5542702773782123
Energy: 0.47046883833734027
Energy: 0.4721643902645732
Energy: 0.7813551873305876
Energy: 0.46446080173860665
Energy: 0.4684830551101952
Energy: 0.4732448181788286
Energy: 0.4638075992522989
Energy: 0.4680020392067184
Energy: 0.7781531203027736
Energy: 0.4752300735867351
Energy: 0.4762165756439415
Energy: 0.4713682890710725
Energy: 0.4753368066131819
Energy: 0.4725541854068862
Energy: 0.5648873474121191
Energy: 0.5051173378744411
Energy: 0.4874261064083153
Energy: 0.5052129518343684
Energy: 0.5147983137060538
Energy: 0.5196579222775229
Energy: 0.6568136470898062
Energy: 0.5132551690192605
Energy: 0.5146964051601386
Energy: 0.571503098545347
Energy: 0.5132443467514926
Energy: 0.5109259719981385
Energy: 0.7803292806269823
Energy: 0.5023108238937514
Energy: 0.5019309688857434
Energy: 0.47235732643598893
Energy: 0.5450419410803181
Energy: 0.5230011003324264
Energy: 0.8089095276740872
Energy: 0.48894337944040844
Energy: 0.5018778933300955
Energy: 0.5450899244444137
Energy: 0.4909867725854314
Energy: 0.5015444487933803
Energy: 0.8185629104399214
Energy: 0.5141579694184248
Energy: 0.5137137601249774
Energy: 0.5250213951354893
Energy: 0.5141595923764274
Energy: 0.4731758468349819

minimum gb energy = 0.3672858591527017 eV
minimum distance =  2.71977808891132 Angstroms
sigma value = 81


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

Energy: 0.405348979395295
Energy: 0.6381732380559092
Energy: 0.009302235198249076
Energy: 0.010762200570661587
Energy: 0.6382440864276404
Energy: 0.4057510256097037
Energy: 0.7838838089174934
Energy: 0.7237534824650952
Energy: 0.6376351856563476
Energy: 0.7960934260268052
Energy: 0.6389990554801545
Energy: 0.7242915551365946
Energy: 0.769187758302838
Energy: 0.009196666764869155
Energy: 0.009335452932039781
Energy: 0.7956829202070861
Energy: 0.0092073168746966
Energy: 0.04554123057728212
Energy: 0.7845629507996695
Energy: 0.0093022842865573
Energy: 0.009338103045149449
Energy: 0.6383380927733925
Energy: 0.009224863878606255
Energy: 0.04528709878407631
Energy: 0.04478069371041884
Energy: 0.7349383821894127
Energy: 0.7299890637350394
Energy: 0.0456318584174416
Energy: 0.73282190079905
Energy: 0.7338128426969576
Energy: 0.009854668641947877
Energy: 0.7961398641661741
Energy: 0.00921916005091397
Energy: 0.009019239811885063
Energy: 0.7964670834940759
Energy: 0.009390403595458903
Energy: 0.819403252265198
Energy: 0.7042094703468069
Energy: 0.7244026575267563
Energy: 0.6397303961444809
Energy: 0.7246348418948811
Energy: 0.7042609103091884
Energy: 0.8148854763120257
Energy: 0.0092043757478866
Energy: 0.00929240873151124
Energy: 0.6393844615714641
Energy: 0.009183901073448603
Energy: 0.009348197670508138
Energy: 0.7431205624111937
Energy: 0.009307903551277913
Energy: 0.04508901843149731
Energy: 0.7650915684085482
Energy: 0.009252506988380912
Energy: 0.046637889308454576
Energy: 0.4053826146070827
Energy: 0.7369308397723587
Energy: 0.6491675409139602
Energy: 0.009013090414621264
Energy: 0.6701340919983928
Energy: 0.7439513271590134

minimum gb energy = 0.009013090414621264 eV
minimum distance =  2.7368641113579 Angstroms
sigma value = 3


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

Energy: 0.569224426230509
Energy: 0.565047048597598
Energy: 0.561617551791825
Energy: 0.5277821866110397
Energy: 0.5648606214693346
Energy: 0.5227029714327894
Energy: 0.6010960125394479
Energy: 0.5743302107500291
Energy: 0.5723964918486765
Energy: 0.5772798043944638
Energy: 0.5786610411591108
Energy: 0.5716419101679711
Energy: 0.6009545789628392
Energy: 0.5414562762211008
Energy: 0.5415911357141231
Energy: 0.5791569235316082
Energy: 0.5423800052107458
Energy: 0.5595197595489226
Energy: 0.5815053692468289
Energy: 0.5421372316210298
Energy: 0.5422334943593423
Energy: 0.5747694196083174
Energy: 0.5411980722558555
Energy: 0.5610025475780248
Energy: 0.549180140890169
Energy: 0.573780013941118
Energy: 0.5727323697283064
Energy: 0.5488410974113866
Energy: 0.5745319264567721
Energy: 0.5723168827447435
Energy: 0.5442005425485189
Energy: 0.5743906786142855
Energy: 0.5587850366205513
Energy: 0.4955358512159186
Energy: 0.5742044157633677
Energy: 0.5324048581959042
Energy: 0.5805372138047709
Energy: 0.5631451386818183
Energy: 0.5640411830738433
Energy: 0.5767938567255213
Energy: 0.5714380546438669
Energy: 0.5758407145973655
Energy: 0.5796259809118949
Energy: 0.5465804149802627
Energy: 0.5470568064849471
Energy: 0.5753739336907315
Energy: 0.5215307331255044
Energy: 0.5475220644770424
Energy: 0.5825556853946553
Energy: 0.5482208872208083
Energy: 0.5656280580119104
Energy: 0.5807235629619866
Energy: 0.5621031402195275
Energy: 0.5665978924744812
Energy: 0.5746459335413511
Energy: 0.5454369307636164
Energy: 0.5509837195756146
Energy: 0.5743565514248278
Energy: 0.55320606849005
Energy: 0.5616758265758438
Energy: 0.5539657637018433
Energy: 0.5574325599700258
Energy: 0.5587079502994555
Energy: 0.4885762767275205
Energy: 0.5653218112323939
Energy: 0.5342322729704231
Energy: 0.5161381322917457
Energy: 0.565722955816113
Energy: 0.5596201027192809
Energy: 0.5164493659229948
Energy: 0.5630599958703604
Energy: 0.5161730562478838
Energy: 0.5175322211091126
Energy: 0.5249514637198258
Energy: 0.5435865411800099
Energy: 0.5175065160572934
Energy: 0.47938426233673176
Energy: 0.5444741489156545
Energy: 0.5546150259329525
Energy: 0.5661319125355446
Energy: 0.5442057668493767
Energy: 0.5304475154510414
Energy: 0.5171729247521674
Energy: 0.5474114706313462
Energy: 0.5538370310266111
Energy: 0.4952735344045262
Energy: 0.494891679423029
Energy: 0.5538195098544401
Energy: 0.4962240606014115
Energy: 0.49592736884539573
Energy: 0.5532369865031896
Energy: 0.5317379147886562
Energy: 0.532882141248057
Energy: 0.5333012079964733
Energy: 0.5509271404923775
Energy: 0.5326169830040536
Energy: 0.48487134260110876
Energy: 0.5376620883157689
Energy: 0.5362465538274419
Energy: 0.4847719942951219
Energy: 0.5324931163156422
Energy: 0.48456174295631954
Energy: 0.4857424430657533
Energy: 0.5299407524482597
Energy: 0.5303406735219999
Energy: 0.4858878144085936
Energy: 0.48716666604125003
Energy: 0.5304031823338904
Energy: 0.5468871426648392
Energy: 0.5482053698114857
Energy: 0.5293539187930938
Energy: 0.4882313246109986
Energy: 0.5498803575612965
Energy: 0.5299491502319439
Energy: 0.5526586585666652
Energy: 0.4843859879373521
Energy: 0.4841229850876437
Energy: 0.551495496450561
Energy: 0.48539351768758476
Energy: 0.4848798563926809
Energy: 0.5517828441416051
Energy: 0.5317366290455782
Energy: 0.5373648552563499
Energy: 0.5502498877231058
Energy: 0.5541756886906697
Energy: 0.5357547311122255
Energy: 0.4960599952804802
Energy: 0.5314857490655083
Energy: 0.5368652950033789
Energy: 0.4959359248017816
Energy: 0.5333924909774928
Energy: 0.49557063371357535
Energy: 0.49616125146652046
Energy: 0.5456572998372958
Energy: 0.5450703405743585
Energy: 0.4961979042133692
Energy: 0.5450998951582819
Energy: 0.5447731723865961
Energy: 0.5541340129220023
Energy: 0.5167319394163327
Energy: 0.5440018988056585
Energy: 0.5189374631421366
Energy: 0.5166174567183565
Energy: 0.5334751076782802
Energy: 0.5713929763529453
Energy: 0.5160286897898063
Energy: 0.516174947825234
Energy: 0.5721454449080543
Energy: 0.5168147150120059
Energy: 0.5168443918823545
Energy: 0.5697542541175589
Energy: 0.5452757304905076
Energy: 0.5455943987242045
Energy: 0.570261855335739
Energy: 0.5228596770378016
Energy: 0.5593458065809469
Energy: 0.5471938553977803
Energy: 0.5451440855464381
Energy: 0.545607415051349
Energy: 0.5466452501998632
Energy: 0.5678043627749642
Energy: 0.5604323291400067
Energy: 0.5253060797629594
Energy: 0.5771043024004363
Energy: 0.5769723990921559
Energy: 0.5252580961357153
Energy: 0.5786664076754583
Energy: 0.5767117239315395
Energy: 0.5521177167384409
Energy: 0.5729242255909756
Energy: 0.5633007242524553
Energy: 0.4909610213248158
Energy: 0.5730782462897256
Energy: 0.5346536555500901
Energy: 0.5649016766190837
Energy: 0.5719843342869819
Energy: 0.5758297155329573
Energy: 0.563906905052433
Energy: 0.5751928959311955
Energy: 0.5755597448658903
Energy: 0.5715781591496917
Energy: 0.5465380527406325
Energy: 0.5467817276693283
Energy: 0.571467462564062
Energy: 0.5193834290712913
Energy: 0.5469632131792973
Energy: 0.6026037117087025
Energy: 0.5487575686731239
Energy: 0.5732885409451951
Energy: 0.5751252664567343
Energy: 0.5586220621914888
Energy: 0.5726599739501311
Energy: 0.5378881858657497
Energy: 0.6097981900606778
Energy: 0.5725124355330123
Energy: 0.5379547082105454
Energy: 0.6403103349870488
Energy: 0.5667913789240803

minimum gb energy = 0.47938426233673176 eV
minimum distance =  2.64447138852562 Angstroms
sigma value = 67


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

Energy: 0.7125931753564955
Energy: 0.6967575026273206
Energy: 0.6973413911548478
Energy: 0.6534859868404935
Energy: 0.6969148840293196
Energy: 0.6948114391611409
Energy: 0.7383133484553861
Energy: 0.7066676972787507
Energy: 0.6920740926051969
Energy: 0.7055442579029603
Energy: 0.7024009017750386
Energy: 0.6967155859038009
Energy: 0.7444978614934646
Energy: 0.6775998617953038
Energy: 0.6807561270334879
Energy: 0.6969522890737893
Energy: 0.6783863216604343
Energy: 0.6810327047264488
Energy: 0.7152314125955931
Energy: 0.68160369859223
Energy: 0.6813491796786061
Energy: 0.703638344166307
Energy: 0.6864699232199553
Energy: 0.6818044048036174
Energy: 0.7118429096932545
Energy: 0.7046526734935936
Energy: 0.6917337627366009
Energy: 0.7034488246057117
Energy: 0.70226333126335
Energy: 0.6905801625187455
Energy: 0.6757680346511694
Energy: 0.6895965553205254
Energy: 0.6868379529448165
Energy: 0.6705653237141652
Energy: 0.6883495853546694
Energy: 0.6868718007453304
Energy: 0.707338724127103
Energy: 0.705890421524469
Energy: 0.6927826707791164
Energy: 0.7001698838010109
Energy: 0.7048639592617634
Energy: 0.6980314577026377
Energy: 0.7069323207273178
Energy: 0.6808897269107131
Energy: 0.6798734298817625
Energy: 0.6980640753107585
Energy: 0.6518042341046746
Energy: 0.6968942576042034
Energy: 0.7024461883583847
Energy: 0.6960007956796532
Energy: 0.6964935014153992
Energy: 0.7016116731646567
Energy: 0.6995305952693919
Energy: 0.7051556609552605
Energy: 0.7020687397690315
Energy: 0.6813427443747494
Energy: 0.6815986802705846
Energy: 0.7023587593684035
Energy: 0.6790208706325314
Energy: 0.6804563950517203
Energy: 0.6936920843482526
Energy: 0.6887462694709153
Energy: 0.6880241336835097
Energy: 0.6553095921218347
Energy: 0.6937899306089232
Energy: 0.6880822942994392
Energy: 0.6528082514343896
Energy: 0.6924003007009366
Energy: 0.6909346262105243
Energy: 0.6529441397770628
Energy: 0.6788674289385213
Energy: 0.654370934792883
Energy: 0.6528337416103733
Energy: 0.6924367314434835
Energy: 0.685181039862154
Energy: 0.653015370729209
Energy: 0.6573243470865386
Energy: 0.6699832135955935
Energy: 0.6912136823121945
Energy: 0.6834866812870296
Energy: 0.6848372720017876
Energy: 0.6556944226811228
Energy: 0.6941669658695515
Energy: 0.6846988181674499
Energy: 0.6932307505188765
Energy: 0.658307432384935
Energy: 0.6563195585877338
Energy: 0.693847449117811
Energy: 0.6562771297551727
Energy: 0.6541050614520638
Energy: 0.6938880754213856
Energy: 0.6893970974502357
Energy: 0.6914551769711984
Energy: 0.6912684166170396
Energy: 0.6993823436700983
Energy: 0.6899769853506154
Energy: 0.6746578076990029
Energy: 0.6791675092000556
Energy: 0.6827794032974327
Energy: 0.6746079263195363
Energy: 0.6490845092287638
Energy: 0.6795521548823478
Energy: 0.6736996205164083
Energy: 0.7056076725389682
Energy: 0.7062955942331968
Energy: 0.6738735087433739
Energy: 0.7053763997284062
Energy: 0.6999374623359716
Energy: 0.6797200743944295
Energy: 0.700870201719775
Energy: 0.6902983200969984
Energy: 0.6594606212136711
Energy: 0.6963259403300206
Energy: 0.6904931736002999
Energy: 0.6988022328204616
Energy: 0.7052126593960137
Energy: 0.7046894985936388
Energy: 0.6994194938617775
Energy: 0.7002989697746408
Energy: 0.7007741727384654
Energy: 0.701946640569235
Energy: 0.6950553112982074
Energy: 0.6943050632415748
Energy: 0.7024442151990855
Energy: 0.6831430720171355
Energy: 0.6945676384150539
Energy: 0.7445756266443758
Energy: 0.679892869545682
Energy: 0.6942456202325484
Energy: 0.6976860487203971
Energy: 0.6809208836661932
Energy: 0.6943333782508867
Energy: 0.7190859317344791
Energy: 0.7068123570388848
Energy: 0.6984086535924227
Energy: 0.6994016481089987
Energy: 0.7033281614794045
Energy: 0.6974374055797243

minimum gb energy = 0.6490845092287638 eV
minimum distance =  2.65468477729585 Angstroms
sigma value = 33


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

Energy: 0.84515365325345
Energy: 0.839818470504128
Energy: 0.8281128221998924
Energy: 0.8007415833473525
Energy: 0.8393132809812679
Energy: 0.809661060091085
Energy: 0.8985467304063429
Energy: 0.8160789692757637
Energy: 0.8144601951797791
Energy: 0.8260020804373186
Energy: 0.8203765074935817
Energy: 0.8134609482668546
Energy: 0.8944313428534133
Energy: 0.8061570543700989
Energy: 0.8051329202602578
Energy: 0.8215457664787644
Energy: 0.8057780743137035
Energy: 0.8009091238887641
Energy: 0.8411915347726711
Energy: 0.8039138951949775
Energy: 0.8031464902240595
Energy: 0.8221036620865029
Energy: 0.8036609100620368
Energy: 0.7990685978063676
Energy: 0.8504780331778278
Energy: 0.8159822012871334
Energy: 0.8137283233542526
Energy: 0.8259691810355883
Energy: 0.8256988543371221
Energy: 0.812897148335702
Energy: 0.7976328261065503
Energy: 0.8175085778073861
Energy: 0.8202950653200921
Energy: 0.7888836765426972
Energy: 0.815686612995651
Energy: 0.8044181951914525
Energy: 0.8371568762973098
Energy: 0.8150915553235895
Energy: 0.813182967555548
Energy: 0.8145498651575013
Energy: 0.817115067302841
Energy: 0.8160045187371374
Energy: 0.8382331365257457
Energy: 0.8004106828178328
Energy: 0.8170973195272284
Energy: 0.8159630915587885
Energy: 0.8043706654513272
Energy: 0.8163021610480163
Energy: 0.8127375169185087
Energy: 0.8163866905659618
Energy: 0.815651605988522
Energy: 0.8164471409306514
Energy: 0.8183016176510026
Energy: 0.8190020387335095
Energy: 0.8140881182248119
Energy: 0.8020822322058918
Energy: 0.7996805364115648
Energy: 0.8141036648754856
Energy: 0.7994963061126492
Energy: 0.7984522304564526
Energy: 0.8125096005453694
Energy: 0.8072078825945439
Energy: 0.8080867788452636
Energy: 0.804137769846482
Energy: 0.8152799029455466
Energy: 0.8079246953637947
Energy: 0.7977287633907921
Energy: 0.799717731652461
Energy: 0.8081151866474053
Energy: 0.7979954729494163
Energy: 0.8008172404140148
Energy: 0.7998347703968857
Energy: 0.7972282203665324
Energy: 0.8170953453255826
Energy: 0.8199384284338763
Energy: 0.797408478050831
Energy: 0.8199892965964117
Energy: 0.799679006629456
Energy: 0.8059483946102068
Energy: 0.816146163483382
Energy: 0.8164887510781558
Energy: 0.7846296412315964
Energy: 0.8119360179324142
Energy: 0.8003314555838688
Energy: 0.8159476195475474
Energy: 0.8136183216997921
Energy: 0.8192400297317263
Energy: 0.815501283729707
Energy: 0.819279928843414
Energy: 0.820440907311954
Energy: 0.8266742618151405
Energy: 0.8097291839945253
Energy: 0.8085971849976314
Energy: 0.8261185980216995
Energy: 0.8054211448522464
Energy: 0.8238013079647193
Energy: 0.8938630783284685
Energy: 0.8021130560040527
Energy: 0.8096631082740509
Energy: 0.8200134329479245
Energy: 0.8099277065139854
Energy: 0.8161044713483866
Energy: 0.8985102417641325
Energy: 0.8349059560297559
Energy: 0.8209478577104912
Energy: 0.8174542087771742
Energy: 0.8303525377458857
Energy: 0.8437868992086831
Energy: 0.7791659644615331
Energy: 0.8195108635675944
Energy: 0.8034036787567119
Energy: 0.796165463867602
Energy: 0.8192952358756252
Energy: 0.8022291778846421
Energy: 0.8537047297380841
Energy: 0.8173193500884254
Energy: 0.814699466263835
Energy: 0.8150095550930938
Energy: 0.8216251945257108
Energy: 0.8135224054167747
Energy: 0.895214365322982
Energy: 0.8035228474305338
Energy: 0.8032771305399333
Energy: 0.821346537872621
Energy: 0.8094528707502496
Energy: 0.8005890716089423
Energy: 0.8404078415046787
Energy: 0.8066640368446685
Energy: 0.8050980764711395
Energy: 0.8217403630987149
Energy: 0.8061156372303803
Energy: 0.7999317537825891
Energy: 0.8518208609069504
Energy: 0.8155658051577033
Energy: 0.8131800458420626
Energy: 0.8266248945905225
Energy: 0.8195765575909402
Energy: 0.8133323770807525
Energy: 0.7944313313777315
Energy: 0.8176205705552888
Energy: 0.8185886463009581
Energy: 0.7883035824747301
Energy: 0.8156441330876341
Energy: 0.8023776464128844
Energy: 0.8367701005399892
Energy: 0.8149361942712294
Energy: 0.8131577702891849
Energy: 0.8140680750532695
Energy: 0.8159240916414914
Energy: 0.8304240229150925
Energy: 0.8371001396338422
Energy: 0.8014496137734938
Energy: 0.8182469369972659
Energy: 0.8164271861862108
Energy: 0.8030916542259344
Energy: 0.8175694253890204
Energy: 0.811535892280818
Energy: 0.8185551169924079
Energy: 0.8173311315349299
Energy: 0.8134714194701894
Energy: 0.8157879484199241
Energy: 0.8184529933287679
Energy: 0.813946154846165
Energy: 0.8003394503916383
Energy: 0.7995326992540377
Energy: 0.8139820738698815
Energy: 0.7998657480616862
Energy: 0.7981973522950533
Energy: 0.8118923609674099
Energy: 0.8191659131507565
Energy: 0.8085754931020399
Energy: 0.801633033807316
Energy: 0.8162000127639875
Energy: 0.8085550360826695
Energy: 0.796829795164681
Energy: 0.7996891602168326
Energy: 0.807302916383046
Energy: 0.7968458345907804
Energy: 0.8004063466617136
Energy: 0.8065666170048108
Energy: 0.797674547916243
Energy: 0.8188151520604839
Energy: 0.8101229092139248
Energy: 0.7979506350165708
Energy: 0.8177876427053371
Energy: 0.799621270006784
Energy: 0.8066563591859804
Energy: 0.8161731334149559
Energy: 0.8166389556894812
Energy: 0.7787368574436091
Energy: 0.8152280550872966
Energy: 0.7994000610662902
Energy: 0.8079670180066807
Energy: 0.8144930910567281
Energy: 0.8179283317364716
Energy: 0.8114561288522678
Energy: 0.8173055618563894
Energy: 0.8198333853143763
Energy: 0.8284320445124594
Energy: 0.8101932567100985
Energy: 0.8274521280483866
Energy: 0.8296859612684541
Energy: 0.8118363001040216
Energy: 0.8227496693227615
Energy: 0.8947393963156968
Energy: 0.8019100413130623
Energy: 0.8116145064146509
Energy: 0.819627665190595
Energy: 0.7704953129274204
Energy: 0.8173466194536706
Energy: 0.8981504834271464
Energy: 0.8213763858285879
Energy: 0.8279799962433709
Energy: 0.8189487168281472
Energy: 0.8278798835698281
Energy: 0.8220865850493574
Energy: 0.7792225555271767
Energy: 0.8189130013722788
Energy: 0.8035341749805769
Energy: 0.7959684314809597
Energy: 0.8213379654191155
Energy: 0.80079801663732

minimum gb energy = 0.7704953129274204 eV
minimum distance =  2.67883184718089 Angstroms
sigma value = 41


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

Energy: 1.0186109685643063
Energy: 1.010715165844272
Energy: 1.0442841199698216
Energy: 0.9937159433587264
Energy: 1.009340571138342
Energy: 1.0500802286035904
Energy: 1.095389871301244
Energy: 1.0041726392967527
Energy: 1.0054416296502544
Energy: 1.0137095290156177
Energy: 1.0037194210916163
Energy: 0.9894366826645632
Energy: 1.111377122637197
Energy: 0.9790762873591713
Energy: 0.9777363948557392
Energy: 1.0110406533352254
Energy: 0.9804927949363784
Energy: 0.9918338758960935
Energy: 1.0292986608984118
Energy: 0.9784256537933038
Energy: 0.9781329279758183
Energy: 1.0016652958391878
Energy: 0.9796417819120009
Energy: 0.9867221750053791
Energy: 1.0109076594532744
Energy: 1.0016326331691567
Energy: 1.0039720093191904
Energy: 1.012751670492433
Energy: 1.0022266815705982
Energy: 0.9899693632623615
Energy: 0.9824321574935979
Energy: 1.0016248407263224
Energy: 0.9863582195669864
Energy: 0.9786826416413076
Energy: 0.9987758640012805
Energy: 0.9869131051553328
Energy: 1.0198571250713537
Energy: 1.01114052244566
Energy: 1.0108468783935547
Energy: 0.9933835268850212
Energy: 1.0100844264608582
Energy: 0.9865072345007054
Energy: 1.021645971114355
Energy: 0.9898960011089628
Energy: 0.9894304361009234
Energy: 0.994091715733135
Energy: 0.988084256490323
Energy: 0.9896832621798926
Energy: 0.9778828639045819
Energy: 0.9897245593588377
Energy: 0.9884010516166455
Energy: 0.9819352831110594
Energy: 0.9894381847031564
Energy: 0.9861273676197718
Energy: 0.9960450957929364
Energy: 0.9907402290680535
Energy: 0.9870504527089023
Energy: 0.9891350258888374
Energy: 0.9939785032055358
Energy: 0.9862753985471554
Energy: 0.9992429522574099
Energy: 1.003259782937855
Energy: 1.0149752033627237
Energy: 1.0010753160482064
Energy: 1.002596295392307
Energy: 1.004831809153518
Energy: 1.1103099822619664
Energy: 0.9826659429415178
Energy: 0.980796528709588
Energy: 1.001572048660765
Energy: 0.9846921855299356
Energy: 0.9831395050398707
Energy: 1.1127656784435012
Energy: 1.0091454351615723
Energy: 1.008395024079182
Energy: 1.0058298221578534
Energy: 1.0086774584242426
Energy: 0.9886037211060775
Energy: 0.9784778127993141
Energy: 1.0025250879489747
Energy: 0.9817729413178857
Energy: 0.9768005721818984
Energy: 1.001491285629279
Energy: 0.9824554684939414

minimum gb energy = 0.9768005721818984 eV
minimum distance =  2.66908043787394 Angstroms
sigma value = 11


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

Energy: 1.192425024156516
Energy: 1.2217480894032533
Energy: 1.2141215313939548
Energy: 1.1883292000444898
Energy: 1.2186584561791092
Energy: 1.2078111487064025
Energy: 1.3245708621987247
Energy: 1.142032891057889
Energy: 1.1380140220259285
Energy: 1.1374797859303183
Energy: 1.1523882711858102
Energy: 1.137181600450079
Energy: 1.327678961648771
Energy: 1.1217100084632619
Energy: 1.120941018778127
Energy: 1.1376432437634303
Energy: 1.1224696774778613
Energy: 1.1416584578648536
Energy: 1.1557506965559352
Energy: 1.1215030650037205
Energy: 1.1388638841545509
Energy: 1.1264361768197564
Energy: 1.1216023677334428
Energy: 1.1375439725353906
Energy: 1.1578413133581777
Energy: 1.1298428773723816
Energy: 1.1306654741311903
Energy: 1.1377192439707065
Energy: 1.1296038286319847
Energy: 1.129865375037867
Energy: 1.1551965196465153
Energy: 1.1180525698473271
Energy: 1.1174884813494343
Energy: 1.1305972699561893
Energy: 1.1192583651075267
Energy: 1.1180483187012513
Energy: 1.1637372405591542
Energy: 1.118362236370347
Energy: 1.1178301156572714
Energy: 1.1317670663325081
Energy: 1.1145420752973096
Energy: 1.117529078739588
Energy: 1.2155647827611107
Energy: 1.1293660387551652
Energy: 1.1295057260290162
Energy: 1.1295942971765567
Energy: 1.13088462281975
Energy: 1.130434061034498
Energy: 1.1416524908494439
Energy: 1.1261837310419422
Energy: 1.126136507713329
Energy: 1.116635095638862
Energy: 1.1262262459506915
Energy: 1.1267248969318384
Energy: 1.141522292859919
Energy: 1.126313367917179
Energy: 1.1260364151119193
Energy: 1.1156812135647614
Energy: 1.1264612545627721
Energy: 1.1264645046003123
Energy: 1.1940110184753783
Energy: 1.1423987209198128
Energy: 1.1422037686941262
Energy: 1.1640615708927309
Energy: 1.149894817239526
Energy: 1.1591826703025316
Energy: 1.170446905928272
Energy: 1.1199044030789653
Energy: 1.1207014752660356
Energy: 1.166920083026544
Energy: 1.1144192743770704
Energy: 1.1202858230744777
Energy: 1.1644589277684592
Energy: 1.1249573916794173
Energy: 1.1247037081719844
Energy: 1.16697461811098
Energy: 1.1261091374733954
Energy: 1.1253560960315405
Energy: 1.144512913879023
Energy: 1.1384101948920413
Energy: 1.125931804092464
Energy: 1.1221110800798755
Energy: 1.1389297090919244
Energy: 1.1262113049245936
Energy: 1.1631348224964786
Energy: 1.12649700851649
Energy: 1.1255304973382356
Energy: 1.129253324826218
Energy: 1.1259262788904778
Energy: 1.1262961585805025
Energy: 1.1965880354591472
Energy: 1.1264673602055089
Energy: 1.1258296766860674
Energy: 1.126079418748678
Energy: 1.1254593600390195
Energy: 1.1267916367317674
Energy: 1.1532060247469313
Energy: 1.1253519534560195
Energy: 1.126084235520234
Energy: 1.1075731623747658
Energy: 1.1255655766115948
Energy: 1.1257418033113005
Energy: 1.1424357475603497
Energy: 1.1669192899979908
Energy: 1.1462597844380007
Energy: 1.1269390044855228
Energy: 1.1320665607587779
Energy: 1.1123150020351746
Energy: 1.1543569276392653
Energy: 1.125473688127385
Energy: 1.1260339923565548
Energy: 1.1607646038398032
Energy: 1.1257455495773936
Energy: 1.1253858082173291
Energy: 1.1527218393305494
Energy: 1.1230503896277098
Energy: 1.1221611906723334
Energy: 1.126754387347452
Energy: 1.1235573952738964
Energy: 1.1492372997034495
Energy: 1.2568247220841509
Energy: 1.1221474604667974
Energy: 1.1414309926685047
Energy: 1.1528679371450044
Energy: 1.1222467522146713
Energy: 1.1534015335995678
Energy: 1.1900026794174454
Energy: 1.1437620012425218
Energy: 1.1449339680666972
Energy: 1.1566661399082534
Energy: 1.1414702027877666
Energy: 1.1524413401132807
Energy: 1.1493942544795324
Energy: 1.138491231896643
Energy: 1.1353169051388978
Energy: 1.1183712634908418
Energy: 1.145807509776242
Energy: 1.127853000501546
Energy: 1.2578801257247954
Energy: 1.144399428105123
Energy: 1.1255605296531723
Energy: 1.1257148728279973
Energy: 1.1594826624480612
Energy: 1.1253597432776914
Energy: 1.1964636701792148
Energy: 1.125972576952804
Energy: 1.1242761115545323
Energy: 1.1719092134551343
Energy: 1.1257229214364697
Energy: 1.1273736219388337
Energy: 1.159526881711462
Energy: 1.1257146933390654
Energy: 1.1268290085047588
Energy: 1.1262963523691445
Energy: 1.1043838253931375
Energy: 1.1264567252691526
Energy: 1.159083340907909
Energy: 1.1259380268913597
Energy: 1.128082569350339
Energy: 1.1258741359989444
Energy: 1.1258544562405997
Energy: 1.1257435802552385
Energy: 1.1569832219840614
Energy: 1.125731658195993
Energy: 1.1274704390622055
Energy: 1.1260885359072006
Energy: 1.1340844939356522
Energy: 1.1254485310933484
Energy: 1.1592246000436215
Energy: 1.120422681429131
Energy: 1.1197725235980795
Energy: 1.2035503397105354
Energy: 1.1230310648619
Energy: 1.1195300418291156
Energy: 1.3271719123292802
Energy: 1.1590257140046492
Energy: 1.1269976735017202
Energy: 1.125701537104981
Energy: 1.1444466823733428
Energy: 1.1245087833854337
Energy: 1.16377140397435
Energy: 1.1374861572256496
Energy: 1.144675155600079
Energy: 1.1181733812994716
Energy: 1.1424081006549422
Energy: 1.1251177429492978

minimum gb energy = 1.1043838253931375 eV
minimum distance =  2.65153879585736 Angstroms
sigma value = 57


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

Energy: 1.6449628905208327
Energy: 1.2014027518178558
Energy: 1.2405738491639673
Energy: 1.2422720801173053
Energy: 1.2422815458697607
Energy: 1.240342281072932
Energy: 1.3486354501322635
Energy: 1.23998726485715
Energy: 1.2004729216195293
Energy: 1.2401628838204004
Energy: 1.2400749541952358
Energy: 1.200383253370307
Energy: 1.263046653085109
Energy: 1.1870432101776542
Energy: 1.1865722437926312
Energy: 1.1995318056779791
Energy: 1.1879892620933201
Energy: 1.2011371668757136
Energy: 1.2385659841942742
Energy: 1.1998478017367802
Energy: 1.199367853337464
Energy: 1.2005210937912167
Energy: 1.1897908369057744
Energy: 1.2012906116070172
Energy: 1.2430095024949406
Energy: 1.202699932840729
Energy: 1.1992971327744684
Energy: 1.2006688614052619
Energy: 1.1997233269516483
Energy: 1.1982695678500004
Energy: 1.2425239884089312
Energy: 1.2001980788746476
Energy: 1.1995908206067247
Energy: 1.2012284037259653
Energy: 1.2007257240610647
Energy: 1.1991352397323636
Energy: 1.2502507632701674
Energy: 1.187313837671112
Energy: 1.187431010520184
Energy: 1.248475126697657
Energy: 1.1890940999088608
Energy: 1.1994725927592944
Energy: 1.337144094504881
Energy: 1.2004043162838798
Energy: 1.2009403620674497
Energy: 1.1993056134716136
Energy: 1.2003040702459096
Energy: 1.2002866859614432
Energy: 1.2654841961511754
Energy: 1.202024317887564
Energy: 1.1897271839432901
Energy: 1.1920481027692806
Energy: 1.200436879692714
Energy: 1.189846078027449
Energy: 1.2646585480803278
Energy: 1.2007715218165256
Energy: 1.1895774596908353
Energy: 1.192043798076928
Energy: 1.200224372333508
Energy: 1.189754096415315
Energy: 1.3457653469147886
Energy: 1.2001490082898183
Energy: 1.1987059197543006
Energy: 1.239736619735705
Energy: 1.2008940506932533
Energy: 1.1994922287353393
Energy: 1.2354919161896616
Energy: 1.186917114461243
Energy: 1.186424608137261
Energy: 1.1996511007939763
Energy: 1.1879941538977288
Energy: 1.2019806967032667
Energy: 1.2384527673504575
Energy: 1.2019364212917176
Energy: 1.1997064715005676
Energy: 1.2392279626053784
Energy: 1.1992723812549961
Energy: 1.1990423285704457
Energy: 1.2443604569049354
Energy: 1.2004608863086674
Energy: 1.19950428832349
Energy: 1.2010621779264707
Energy: 1.201167658399684
Energy: 1.1989976918917864
Energy: 1.2341896056906154
Energy: 1.1889058115501814
Energy: 1.1985237053521671
Energy: 1.2009089912059787
Energy: 1.1886506496704705
Energy: 1.1981719940963245
Energy: 1.3395306119368744
Energy: 1.1881232091506508
Energy: 1.1881897508126986
Energy: 1.2012508738238512
Energy: 1.1884019395592191
Energy: 1.1986480589890818
Energy: 1.2566649631340343
Energy: 1.20112330957448
Energy: 1.2254079429086862
Energy: 1.2341913312937942
Energy: 1.2415884210853738
Energy: 1.2004486399932996

minimum gb energy = 1.186424608137261 eV
minimum distance =  2.65624526534762 Angstroms
sigma value = 9


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

Energy: 1.3549604587700774
Energy: 1.2631480767164478
Energy: 1.2468020551963845
Energy: 1.2654980610034186
Energy: 1.2458365032985768
Energy: 1.247022682864213
Energy: 1.315364541055498
Energy: 1.224895182089379
Energy: 1.2255028590733783
Energy: 1.2273361903843114
Energy: 1.2252711124018294
Energy: 1.2246223822314706
Energy: 1.3155129212642327
Energy: 1.2293067941837335
Energy: 1.2446532785788136
Energy: 1.2411182651549009
Energy: 1.223485695938122
Energy: 1.2122298348021103
Energy: 1.2480225654193688
Energy: 1.2136265839067697
Energy: 1.212715771023146
Energy: 1.2184518304374228
Energy: 1.2210318311191264
Energy: 1.2128801198125205
Energy: 1.221159694330494
Energy: 1.1835310995628963
Energy: 1.1842608344262169
Energy: 1.2271770188685203
Energy: 1.2074892986057935
Energy: 1.1848846294161202
Energy: 1.219255976343267
Energy: 1.206881038028659
Energy: 1.204777353440094
Energy: 1.2092302131488009
Energy: 1.2104960970828191
Energy: 1.2053370179154952
Energy: 1.2174363002901336
Energy: 1.2022924477763164
Energy: 1.2412411953946445
Energy: 1.201237048353439
Energy: 1.2041851781532087
Energy: 1.2207550626178856
Energy: 1.3298054938642796
Energy: 1.2053465694610617
Energy: 1.2069998888193396
Energy: 1.206655215395091
Energy: 1.2074071115204135
Energy: 1.2067008188537132
Energy: 1.289864487444233
Energy: 1.2058855294785193
Energy: 1.2054279758681585
Energy: 1.213332120772433
Energy: 1.2070654433061063
Energy: 1.2115545678390904
Energy: 1.3072214656849266
Energy: 1.207112648466391
Energy: 1.2056485935252914
Energy: 1.212997964488428
Energy: 1.2097281658182195
Energy: 1.2058029321254702
Energy: 1.3355353579910423
Energy: 1.1982411485862399
Energy: 1.1975396918185242
Energy: 1.2068661409859747
Energy: 1.2070278807702433
Energy: 1.196537253135888
Energy: 1.2973568701035263
Energy: 1.2339895156282719
Energy: 1.2332213088913333
Energy: 1.2250149172856568
Energy: 1.2268845421821173
Energy: 1.2234413436560505
Energy: 1.295860532108779
Energy: 1.214172983309129
Energy: 1.2122081914438116
Energy: 1.2084807096461885
Energy: 1.2231996608558617
Energy: 1.2045086172852504
Energy: 1.340217355727308
Energy: 1.212889831067677
Energy: 1.2122104164778225
Energy: 1.2037980962837453
Energy: 1.2148882799379972
Energy: 1.2127789702323142
Energy: 1.2960821029825333
Energy: 1.2039554203827059
Energy: 1.2033319690760196
Energy: 1.2253984765466375
Energy: 1.2050610831984074
Energy: 1.225682824307303
Energy: 1.258418716450687
Energy: 1.2094559051205072
Energy: 1.2035149821229258
Energy: 1.2053931438469265
Energy: 1.2100152398965256
Energy: 1.203587787327032
Energy: 1.2675761774727148
Energy: 1.213843215293042
Energy: 1.2132305328579904
Energy: 1.2309720572915364
Energy: 1.2149579915418343
Energy: 1.2129562664107043
Energy: 1.264759019827694
Energy: 1.2086002668321483
Energy: 1.2436136500243902
Energy: 1.2178889939338369
Energy: 1.2251871089644972
Energy: 1.2440818965266518
Energy: 1.2823449241217848
Energy: 1.268997925196609
Energy: 1.267271793379434
Energy: 1.2396776526742814
Energy: 1.2547238320566776
Energy: 1.2683940436861747
Energy: 1.2317604666460864
Energy: 1.2409891015681886
Energy: 1.240195272450577
Energy: 1.2220495640575737
Energy: 1.2263863338745296
Energy: 1.239053271074138
Energy: 1.2957787184630998
Energy: 1.2255191451225278
Energy: 1.2263385969887106
Energy: 1.2053326164021085
Energy: 1.2257553541685051
Energy: 1.2273831458743067

minimum gb energy = 1.1835310995628963 eV
minimum distance =  2.61965075183172 Angstroms
sigma value = 27


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

Energy: 1.9603049251672267
Energy: 1.2210859623000767
Energy: 1.174453858478832
Energy: 1.205119813231668
Energy: 1.208321956973342
Energy: 1.1743777546932244
Energy: 1.3243882236320832
Energy: 1.184143594267919
Energy: 1.182959352346438
Energy: 1.2256414875396395
Energy: 1.186125982739826
Energy: 1.1823749288050955
Energy: 1.245933599790063
Energy: 1.182286993009285
Energy: 1.1819539008698934
Energy: 1.2397282491731532
Energy: 1.2153269141745748
Energy: 1.2238814808692282
Energy: 1.2511016735836469
Energy: 1.1832394272984996
Energy: 1.1825880467576866
Energy: 1.2282411500342667
Energy: 1.1835225834767764
Energy: 1.1823246474322684
Energy: 1.226674203792459
Energy: 1.1832073624589377
Energy: 1.1818998292814697
Energy: 1.218497039101992
Energy: 1.1851542197104181
Energy: 1.1820867565133109
Energy: 1.2434412092966787
Energy: 1.215229058031755
Energy: 1.2131769589842742
Energy: 1.2143620460625568
Energy: 1.2126369217108983
Energy: 1.212573394441981
Energy: 1.2186206925872063
Energy: 1.2083526227350414
Energy: 1.2134425762414331
Energy: 1.209949712010589
Energy: 1.2087369215418167
Energy: 1.2036293982222999
Energy: 1.2815236794296796
Energy: 1.2178628280956498
Energy: 1.214997367231832
Energy: 1.2198529672117522
Energy: 1.2251095952870994
Energy: 1.2140636080313933
Energy: 1.2813723534296368
Energy: 1.2211101907312558
Energy: 1.2193988903612563
Energy: 1.2198218561274035
Energy: 1.2195689045716664
Energy: 1.218771241494538
Energy: 1.2817134601989577
Energy: 1.1963043157923183
Energy: 1.195762509534701
Energy: 1.223702326621236
Energy: 1.2010617931502263
Energy: 1.2193417923301946
Energy: 1.2817693873681972
Energy: 1.218149739999741
Energy: 1.2159765065157524
Energy: 1.2189138471883714
Energy: 1.2062723241240674
Energy: 1.2151210552287655
Energy: 1.2937425186533345
Energy: 1.2097418582382238
Energy: 1.2095521291055964
Energy: 1.2171631337341806
Energy: 1.210147776465359
Energy: 1.2099688614619923
Energy: 1.2987209422955952
Energy: 1.2120008386617216
Energy: 1.2114808880263568
Energy: 1.2132382871929344
Energy: 1.212974689378771
Energy: 1.211481058878521
Energy: 1.2992525027547768
Energy: 1.2133099131518041
Energy: 1.2121512209410066
Energy: 1.2213615447181936
Energy: 1.2159026494016998
Energy: 1.2124770008281291
Energy: 1.2932036945788943
Energy: 1.2023742579862673
Energy: 1.2021255776564401
Energy: 1.2129004424611185
Energy: 1.202134883012262
Energy: 1.201875309724722
Energy: 1.2548187455371054
Energy: 1.221345044660767
Energy: 1.22131018886705
Energy: 1.2318289876494557
Energy: 1.2026581573457111
Energy: 1.2214451533298318
Energy: 1.2272342140754244
Energy: 1.2294066275360378
Energy: 1.1877912749456767
Energy: 1.223251412026158
Energy: 1.2138726453190947
Energy: 1.1871947888120975
Energy: 1.2487812329123555
Energy: 1.2126188378287281
Energy: 1.2121867585544168
Energy: 1.2127455022971028
Energy: 1.2148267586213715
Energy: 1.2119600397098371
Energy: 1.2521890730113248
Energy: 1.2159413423604823
Energy: 1.2155147567252749
Energy: 1.2237727023708547
Energy: 1.2166802966929122
Energy: 1.2167615320275729
Energy: 1.2451363134143612
Energy: 1.219788944564239
Energy: 1.2176635970541265
Energy: 1.2110062292129997
Energy: 1.2153302117209759
Energy: 1.2152852406592833
Energy: 1.2451405030049747
Energy: 1.2128524734113748
Energy: 1.212150408334438
Energy: 1.2192810339360989
Energy: 1.2181469824188114
Energy: 1.2119018978704033
Energy: 1.2267553472171462
Energy: 1.1987712505736667
Energy: 1.1982798940692925
Energy: 1.2207648648627136
Energy: 1.2032753722173035
Energy: 1.1985064374520975
Energy: 1.2787438659766264
Energy: 1.2218083688767905
Energy: 1.1974637463492606
Energy: 1.214235578689479
Energy: 1.2214784580207287
Energy: 1.198403401466496
Energy: 1.2450804672086153
Energy: 1.2087543093075133
Energy: 1.2088454894999432
Energy: 1.225402292175668
Energy: 1.2312237351845128
Energy: 1.208988600277853
Energy: 1.2648469611127178
Energy: 1.1847720997576
Energy: 1.1834611801265462
Energy: 1.2190450466183966
Energy: 1.1844986293683097
Energy: 1.211611811361521

minimum gb energy = 1.1743777546932244 eV
minimum distance =  2.60999782181001 Angstroms
sigma value = 19


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

Energy: 1.26287614447558
Energy: 1.1707154918780596
Energy: 1.1690772452671288
Energy: 1.1659766084512868
Energy: 1.1592260959318645
Energy: 1.1677507473531294
Energy: 1.289037845797143
Energy: 1.176762228075364
Energy: 1.189476296536801
Energy: 1.1880545947782846
Energy: 1.1520778108439915
Energy: 1.1894641529672054
Energy: 1.244654638283028
Energy: 1.1790156217215424
Energy: 1.1774985755390532
Energy: 1.1667113983121735
Energy: 1.1797289760986762
Energy: 1.1770152741769337
Energy: 1.225878617412925
Energy: 1.1908086450920043
Energy: 1.1882172295398177
Energy: 1.1894567723756053
Energy: 1.188284867652795
Energy: 1.18752013015619
Energy: 1.2282697689194022
Energy: 1.1706491945250372
Energy: 1.171607545405188
Energy: 1.1840813302096835
Energy: 1.1763418511404373
Energy: 1.1716734789646395
Energy: 1.2258826416648088
Energy: 1.191040901045731
Energy: 1.1890137406494001
Energy: 1.164783835021057
Energy: 1.1887078520308756
Energy: 1.1884778672333924
Energy: 1.228639698480937
Energy: 1.1698683214829455
Energy: 1.1658263977907326
Energy: 1.14974520225805
Energy: 1.1713267438630937
Energy: 1.1742559600161013
Energy: 1.2189484428346735
Energy: 1.1730755820043572
Energy: 1.1896255990802032
Energy: 1.1522434456224637
Energy: 1.1727458381114322
Energy: 1.1774584577769613
Energy: 1.2189178136641698
Energy: 1.177778745169609
Energy: 1.1807124577371881
Energy: 1.1803122019943064
Energy: 1.1770197327599956
Energy: 1.1805666242286068
Energy: 1.2148230337678807
Energy: 1.176010397571031
Energy: 1.1740249969450485
Energy: 1.1857111091606354
Energy: 1.1750089919911197
Energy: 1.1739091057446347
Energy: 1.2184173948429708
Energy: 1.16128100463731
Energy: 1.1616455787744762
Energy: 1.177355625938859
Energy: 1.1657943332902823
Energy: 1.1614201353954858
Energy: 1.2361396434418102
Energy: 1.1775330624802405
Energy: 1.1785188485457043
Energy: 1.179600829105365
Energy: 1.1595497712999334
Energy: 1.1783958971907142
Energy: 1.2290371001748006
Energy: 1.1841498718980565
Energy: 1.1725640159140016
Energy: 1.1716151555444978
Energy: 1.176610155921682
Energy: 1.1556434533645834
Energy: 1.261549070038097
Energy: 1.1759941897983004
Energy: 1.1747876973679414
Energy: 1.1597166989479049
Energy: 1.1516172673098464
Energy: 1.1741737746880625
Energy: 1.235100415041881
Energy: 1.160141926126467
Energy: 1.1597031389624652
Energy: 1.1606816993435192
Energy: 1.1694008409732919
Energy: 1.159643983300091
Energy: 1.2338378508259955
Energy: 1.1617924773467248
Energy: 1.1624077898301721
Energy: 1.162304172413328
Energy: 1.1621062420956114
Energy: 1.1626284299557714
Energy: 1.2233987779138829
Energy: 1.1633143249654412
Energy: 1.158512849420218
Energy: 1.170197644193725
Energy: 1.1748967266803638
Energy: 1.190354489610744
Energy: 1.2380097403863486
Energy: 1.1619321243144038
Energy: 1.1616119781623695
Energy: 1.1614133991205131
Energy: 1.1620131617266698
Energy: 1.161571394017964
Energy: 1.2341003845271767
Energy: 1.1765399292407386
Energy: 1.1780728264328584
Energy: 1.1655793685585345
Energy: 1.1711890006404562
Energy: 1.1620794864883055
Energy: 1.192297491631004
Energy: 1.1763822224592522
Energy: 1.1782640278526744
Energy: 1.1674025908423333
Energy: 1.176052539302108
Energy: 1.1620317787209276
Energy: 1.200249124992669
Energy: 1.1645923581982913
Energy: 1.161752733919127
Energy: 1.1618209224020062
Energy: 1.1619902391456771
Energy: 1.1622856985446979
Energy: 1.2012673592925172
Energy: 1.1818421201132185
Energy: 1.1800407551169958
Energy: 1.162885755295312
Energy: 1.1797319094914558
Energy: 1.1803018794099336
Energy: 1.1930262536047713
Energy: 1.159604069966257
Energy: 1.159622977624869
Energy: 1.141865163777072
Energy: 1.1596322713604292
Energy: 1.1616122712020196
Energy: 1.229712724286344
Energy: 1.1592152316094757
Energy: 1.1606344902947978
Energy: 1.1864002243980813
Energy: 1.1593302395703087
Energy: 1.1611658760889094
Energy: 1.2270946844136095
Energy: 1.1810810558981846
Energy: 1.1823258938249253
Energy: 1.182379966201829
Energy: 1.1621697360503622
Energy: 1.1819122727576454
Energy: 1.230278784285046
Energy: 1.161040278740943
Energy: 1.1615492359271706
Energy: 1.1787393370863193
Energy: 1.1616640481924834
Energy: 1.1725336623204108
Energy: 1.2299074524787872
Energy: 1.17445690160958
Energy: 1.1741493686703972
Energy: 1.1744873142168786
Energy: 1.1745677034043085
Energy: 1.1741202885758797
Energy: 1.2451294688589714
Energy: 1.1801159942595074
Energy: 1.1906733519352695
Energy: 1.1883507873726404
Energy: 1.1806847733867507
Energy: 1.189711273495539
Energy: 1.2368609068499554
Energy: 1.1767196818155405
Energy: 1.1760866509368035
Energy: 1.162163671339515
Energy: 1.180072080147585
Energy: 1.1596825699566509

minimum gb energy = 1.141865163777072 eV
minimum distance =  2.62122319663172 Angstroms
sigma value = 101


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

Energy: 1.8333962011281033
Energy: 1.132992254933108
Energy: 1.1224133329481594
Energy: 1.0879663011332286
Energy: 1.0988348789484947
Energy: 1.0848265190199482
Energy: 1.2167238701551308
Energy: 1.1231191704399952
Energy: 1.1215923083000867
Energy: 1.1197400672676476
Energy: 1.107815894861525
Energy: 1.1209938262646124
Energy: 1.2169956166696443
Energy: 1.1260163109299914
Energy: 1.1102390272210116
Energy: 1.1144825233081206
Energy: 1.1201886580260605
Energy: 1.1077270383457354
Energy: 1.181105409065475
Energy: 1.121570400515438
Energy: 1.1189987972086182
Energy: 1.1206328163989039
Energy: 1.1213576562905765
Energy: 1.118508578724549
Energy: 1.195604903078504
Energy: 1.110058923770893
Energy: 1.1117137830939874
Energy: 1.1164380282421964
Energy: 1.1155251982677736
Energy: 1.1270900839154314
Energy: 1.1781083503814147
Energy: 1.1221592638792723
Energy: 1.1199758852984352
Energy: 1.1189952919442299
Energy: 1.1253659573214245
Energy: 1.1196503070085015
Energy: 1.1561148388453388
Energy: 1.11700661216027
Energy: 1.1056926779598675
Energy: 1.1169377068067081
Energy: 1.1164079337132282
Energy: 1.1046900235027277
Energy: 1.1843479870672389
Energy: 1.1233455013575424
Energy: 1.1221552073817582
Energy: 1.1062368544598387
Energy: 1.1154805200687763
Energy: 1.1218498231155396
Energy: 1.1594610960297742
Energy: 1.1067263656772666
Energy: 1.1167648589761012
Energy: 1.117046909070543
Energy: 1.106064313115364
Energy: 1.1172297508006517
Energy: 1.1593888078695027
Energy: 1.1206943815259742
Energy: 1.118599675672291
Energy: 1.117161523927022
Energy: 1.1198568542139897
Energy: 1.1184924111789123
Energy: 1.183951592277253
Energy: 1.0837833605592877
Energy: 1.0827226477544378
Energy: 1.1068821998892455
Energy: 1.1119315468846016
Energy: 1.0829890362061372
Energy: 1.1983948401384728
Energy: 1.1222975643734239
Energy: 1.1199512573262496
Energy: 1.1206417969528404
Energy: 1.1192010701884842
Energy: 1.1194541492937973
Energy: 1.1785896054253484
Energy: 1.1113385154025284
Energy: 1.1120405745109925
Energy: 1.1145771695403
Energy: 1.110762185626772
Energy: 1.1154822854580395
Energy: 1.1764903460065126
Energy: 1.1221239094799822
Energy: 1.1216791951605443
Energy: 1.1171715606202863
Energy: 1.1214056278005715
Energy: 1.1222177076365547
Energy: 1.1982226064005264
Energy: 1.122107222847509
Energy: 1.122460843603037
Energy: 1.11530019915053
Energy: 1.1269314700275042
Energy: 1.1290235223063674
Energy: 1.216575236439431
Energy: 1.1213583783200172
Energy: 1.1193227011785454
Energy: 1.120227615286383
Energy: 1.11871460663308
Energy: 1.1189659233373725
Energy: 1.1721564833170284
Energy: 1.1303884852507045
Energy: 1.1168832289319217
Energy: 1.1125667228191458
Energy: 1.1292081307206525
Energy: 1.1074621901990944
Energy: 1.2394173449857453
Energy: 1.107561304843343
Energy: 1.110257461797627
Energy: 1.1170192506694039
Energy: 1.1070920110724605
Energy: 1.116365036895467
Energy: 1.216560864608129
Energy: 1.125086137077566
Energy: 1.1227343774664633
Energy: 1.1059281391963507
Energy: 1.13020358684158
Energy: 1.1222564001932518
Energy: 1.1815098618840014
Energy: 1.1235904999251023
Energy: 1.1211315029933082
Energy: 1.1077759988572786
Energy: 1.1202269916604344
Energy: 1.1204950161620404
Energy: 1.174722367814301
Energy: 1.1065107377917232
Energy: 1.1072910327013161
Energy: 1.1176057081505029
Energy: 1.1070693009489567
Energy: 1.116243425770422
Energy: 1.1803870516859087
Energy: 1.121941739179611
Energy: 1.1198091167813662
Energy: 1.1161986156728574
Energy: 1.1259482212014875
Energy: 1.1195461964506195
Energy: 1.1714040030835706
Energy: 1.1146054275323118
Energy: 1.1138440448410987
Energy: 1.1222113933879252
Energy: 1.1173671664971299
Energy: 1.1140541083647195
Energy: 1.1827696473914673
Energy: 1.1164200271559874
Energy: 1.117643341549033
Energy: 1.107087037004673
Energy: 1.1168773578347222
Energy: 1.107409742983959
Energy: 1.1588432404039575
Energy: 1.1228290188976089
Energy: 1.1213123483303349
Energy: 1.1198595107574074
Energy: 1.1102048246723208
Energy: 1.1217157853898607
Energy: 1.1594790664788743
Energy: 1.122565987572372
Energy: 1.1202831073081938
Energy: 1.1165995338081285
Energy: 1.1196083582389695
Energy: 1.1202500861273508
Energy: 1.1809245595919462
Energy: 1.1182071710684298
Energy: 1.1184242599374232
Energy: 1.1160965777923464
Energy: 1.1100798970351298
Energy: 1.1181305552995315
Energy: 1.1984702882076124
Energy: 1.121077545252178
Energy: 1.1213681517821443
Energy: 1.1153836060899465
Energy: 1.1147431123859806
Energy: 1.1225611905129809
Energy: 1.179168727082171
Energy: 1.115200185459405
Energy: 1.1215152836054882
Energy: 1.1141059114183958
Energy: 1.1151576135463703
Energy: 1.121018429621315
Energy: 1.1805212164356602
Energy: 1.1220002680883718
Energy: 1.1208611250922076
Energy: 1.1150880127008962
Energy: 1.1144705012710276
Energy: 1.1202767686890975
Energy: 1.197332120460878
Energy: 1.1209301860799117
Energy: 1.1218502825451229
Energy: 1.1204174549206547
Energy: 1.118953832707326
Energy: 1.1216527571264012
Energy: 1.216486148681667
Energy: 1.1233650505127264
Energy: 1.1207793584345618
Energy: 1.1091300677149094
Energy: 1.1183376011203663
Energy: 1.1196768960970729
Energy: 1.1728879168632709
Energy: 1.1078736377798346
Energy: 1.1174589246016466
Energy: 1.1144227069297477
Energy: 1.1075295626975667
Energy: 1.1167452337136115

minimum gb energy = 1.0827226477544378 eV
minimum distance =  2.62513792095873 Angstroms
sigma value = 33


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

Energy: 0.010325072185376916
Energy: 1.3542127677839675
Energy: 0.010857807402423647
Energy: 0.011954609672272217
Energy: 1.3569122113692973
Energy: 0.010900190563844545
Energy: 0.49622613596825665
Energy: 0.12286433772566815
Energy: 0.1237864153156169
Energy: 0.12513704114830654
Energy: 0.1242404864898573
Energy: 0.12377977292636816
Energy: 1.7481270859633855
Energy: 1.3563387574071428
Energy: 1.355507414786953
Energy: 1.3537622257530488
Energy: 1.3577324287155752
Energy: 1.3540250818778368
Energy: 0.011131113148281713
Energy: 0.12286433772531881
Energy: 0.1237864153156169
Energy: 0.12513704114760787
Energy: 0.1242404864898573
Energy: 0.12377977292636816

minimum gb energy = 0.010325072185376916 eV
minimum distance =  2.84084743367338 Angstroms
sigma value = 1