Model name: model_name=EAM_Dynamo_ZhouZimmermanWong_2008_PdH__MO_114797992931_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.884858903288844
cohesive_energy=3.9107257844470262
mass=106.42
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=[9.87708249151686e-20, 1.6354698644545198e-19, 2.2192229210524197e-19, 2.7662701109653797e-19, 3.24194033183364e-19, 3.6551256639759e-19, 4.0101359625376197e-19, 4.31262691103682e-19, 4.56935969486898e-19, 4.786823129401799e-19, 4.97056074578892e-19, 5.12497852977384e-19, 5.305335553463219e-19, 5.482408115052899e-19, 5.641504254809099e-19, 5.78010855541644e-19, 5.899086192257279e-19, 5.999831059003199e-19, 6.08335252693362e-19, 6.15037157553384e-19, 6.201497031924779e-19, 6.237289657928339e-19, 6.258310215366419e-19, 6.265183553126279e-19, 6.25776547531086e-19, 6.233796912866219e-19, 6.190265773720439e-19, 6.120843460169219e-19, 6.03208287464562e-19, 5.918857051920839e-19, 5.76985462495884e-19, 5.57528629452588e-19, 5.32470586896828e-19, 5.00547217464378e-19, 4.60141924931532e-19, 4.0918469708716194e-19, 3.45075201254286e-19, 2.64597868928466e-19, 1.6383537823957198e-19, 4.0695446721263395e-20, -1.140432532434468e-19, -3.08391765042222e-19, -5.5368821206089e-19, -8.672437923944939e-19, -1.272810774642084e-18, -1.80598952361114e-18, -2.5183012333212e-18, -3.5006918582246395e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01305943929566298
Energy: 6.266067645039632
Energy: 0.013572949703047555
Energy: 0.013259111828618051
Energy: 6.269200068694475
Energy: 0.013628898913151666
Energy: 6.269554244030632
Energy: 0.0874466465202824
Energy: 6.295157448499058
Energy: 6.3541934832986975
Energy: 0.07973791759896481
Energy: 6.286569710353789
Energy: 0.013572949702776003
Energy: 6.289719079650467
Energy: 6.271901655940002
Energy: 0.013747703942367543
Energy: 0.08119931743156243
Energy: 6.29967488444189
Energy: 0.013259111829674087
Energy: 6.354193483307961
Energy: 0.013747703942608925
Energy: 0.01327202001870481
Energy: 6.272859122046975
Energy: 0.01353576105842218
Energy: 6.272181649290741
Energy: 0.07973791759790877
Energy: 0.08119931743183398
Energy: 6.267248369610297
Energy: 0.08292123326071354
Energy: 6.372519343880867
Energy: 0.013628898912880116
Energy: 6.27972106295695
Energy: 6.299715071451051
Energy: 0.013535761057637697
Energy: 6.372519353455982
Energy: 0.013660709789362985

minimum gb energy = 0.01305943929566298 eV
minimum distance =  2.74019273378714 Angstroms
sigma value = 1


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

Energy: 0.8672340001050293
Energy: 2.991656224653713
Energy: 0.6415658562051297
Energy: 0.6208198929814209
Energy: 3.0054992837379544
Energy: 0.6436113868019954
Energy: 2.3319370527790158
Energy: 0.6056969698316316
Energy: 0.6075080417693179
Energy: 1.3722725593070495
Energy: 0.5994901098910156
Energy: 1.360509343550786
Energy: 0.8148912559831922
Energy: 0.5974766070746054
Energy: 0.5961355632101508
Energy: 0.5864300774827833
Energy: 0.600305393765659
Energy: 2.0463332577024937
Energy: 2.187727370503626
Energy: 2.240770837743823
Energy: 0.5955068626141364
Energy: 2.0772792945688807
Energy: 2.09729801085416
Energy: 0.59568176736208
Energy: 0.8392190358545719
Energy: 0.5968556307575168
Energy: 0.5977835638005046
Energy: 0.5927121504584367
Energy: 0.5990109354043397
Energy: 0.600733076715336
Energy: 2.0677326057945677
Energy: 0.596095315592108
Energy: 0.5967629455431623
Energy: 0.5896512399842289
Energy: 0.5974999989230911
Energy: 0.5978885402623058
Energy: 2.0759009636471535
Energy: 0.5987644557046431
Energy: 0.5994794270674734
Energy: 1.9795177170244336
Energy: 0.6005505838825628
Energy: 0.6016575973193142
Energy: 0.785012198271822
Energy: 0.5911343824529539
Energy: 0.6025271858665391
Energy: 0.5983797805028521
Energy: 0.5874102302498814
Energy: 1.3049032101813023
Energy: 0.653673338425694
Energy: 1.303396009107442
Energy: 1.2986787644098563
Energy: 0.597775745820473
Energy: 1.2846330762133307
Energy: 0.5962124441636522
Energy: 0.6573107728077495
Energy: 0.5984699091955218
Energy: 0.5969372174106665
Energy: 0.6028503151259907
Energy: 1.3313877785290988
Energy: 0.6000094131608786
Energy: 0.6992955591323178
Energy: 0.593352501305798
Energy: 0.593138951005093
Energy: 1.649561656729079
Energy: 0.5910231379872722
Energy: 2.105814255541877
Energy: 0.6402296694411582
Energy: 1.3629077120294348
Energy: 0.595792820056667
Energy: 0.5963771650133596
Energy: 2.0361648353034116
Energy: 0.5966872875502699
Energy: 0.6585352569444367
Energy: 2.0919748117550863
Energy: 2.1603902864271682
Energy: 0.6001047627401891
Energy: 1.3320446959897905
Energy: 2.0953043105768385
Energy: 0.6725996736745795
Energy: 0.5952739953318923
Energy: 0.5935964497637415
Energy: 2.172413866221703
Energy: 0.5972280020687754
Energy: 2.1259623635699185
Energy: 0.6416413268980189
Energy: 0.5911540099624796
Energy: 0.6010376949953371
Energy: 0.597308271057734
Energy: 2.103046158563448
Energy: 0.6112274320947922
Energy: 0.636804918238578
Energy: 2.073368757844737
Energy: 2.0113158889080847
Energy: 0.596338261265319
Energy: 2.0076499135884074
Energy: 0.5977509954574528
Energy: 0.7282037804931324
Energy: 0.5938827215174628
Energy: 0.5981484883166631
Energy: 0.5961065119654033
Energy: 0.5906075113734177
Energy: 2.0614326209441187
Energy: 1.3475121370887786
Energy: 0.5918181384816102
Energy: 0.596874350327558
Energy: 1.2858434266987455
Energy: 0.5957983612303146
Energy: 0.5971007138779957
Energy: 0.7191441005714975
Energy: 0.5919477817744283
Energy: 0.5973293055589197
Energy: 0.5938695028616343
Energy: 0.5969068981789728
Energy: 0.5967764961308261
Energy: 0.8324224366636807
Energy: 0.592278237142069
Energy: 0.5900322770489571
Energy: 0.5935954242765761
Energy: 0.5969778604171734
Energy: 0.5903350351899191
Energy: 2.122586380287537
Energy: 1.4657750548366937
Energy: 0.591507028296111
Energy: 2.0944107993812953
Energy: 1.4358751559288372
Energy: 0.5913279714478228
Energy: 0.8284116079067931
Energy: 0.5974581249299257
Energy: 0.5993637732717423
Energy: 0.5898054257500215
Energy: 0.595662010129511
Energy: 1.304231068627178
Energy: 0.8401840144265974
Energy: 0.6049644316470488
Energy: 0.6061107017826977
Energy: 2.057523571595821
Energy: 0.5996223597085831
Energy: 1.4675583149363192

minimum gb energy = 0.5864300774827833 eV
minimum distance =  0.984027178031403 Angstroms
sigma value = 33


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

Energy: 1.0175014779646843
Energy: 2.112977767989886
Energy: 0.6208010197526197
Energy: 0.6286918003473513
Energy: 2.0352201957428138
Energy: 0.6381857792846071
Energy: 1.4976165705780367
Energy: 0.591567385155702
Energy: 0.5946754233003543
Energy: 1.4845572291816895
Energy: 0.5926924794241388
Energy: 1.6735520642976722
Energy: 0.7920964782409008
Energy: 0.5865909822658549
Energy: 0.6061907347263723
Energy: 0.6154719374170973
Energy: 0.5920056458769131
Energy: 1.9383819147832446
Energy: 0.8252197973071277
Energy: 3.739908476547844
Energy: 3.712708328601006
Energy: 0.6112095328885273
Energy: 0.5938763137265088
Energy: 0.607051997077968
Energy: 0.7699519394087435
Energy: 0.6378780594342348
Energy: 0.6048088102754282
Energy: 0.5966933847348185
Energy: 0.6026212771328369
Energy: 0.6361871320549692
Energy: 0.8278980138517357
Energy: 0.6001248424140119
Energy: 0.6010071718337513
Energy: 0.6511537529057645
Energy: 0.6365402582442913
Energy: 0.5946168440647915
Energy: 0.8295016874065463
Energy: 0.635231296449303
Energy: 0.6396782007044424
Energy: 0.6505404177680123
Energy: 0.6354642364097727
Energy: 0.6405759227757326
Energy: 0.7687647459739556
Energy: 0.6138663485603894
Energy: 0.6118978219169772
Energy: 0.6163560573853609
Energy: 0.6108733247326847
Energy: 0.6111544664913429
Energy: 0.6865903880176699
Energy: 0.614539033327404
Energy: 1.7782108865563377
Energy: 0.6363558554986327
Energy: 0.6112520983697844
Energy: 2.024811739867216
Energy: 0.7098934444783843
Energy: 1.4621591184715585
Energy: 1.4721830883260274
Energy: 0.6423099065195108
Energy: 1.68432911062215
Energy: 0.6396607508269146
Energy: 0.7137810269267265
Energy: 0.5700731464365888
Energy: 0.5691504184786346
Energy: 1.9555930277009772
Energy: 0.5645915949099604
Energy: 0.5671359295035205
Energy: 0.6646644273700891
Energy: 0.5855372253815427
Energy: 1.6670278933846234
Energy: 0.6311654992639432
Energy: 0.58510472260448
Energy: 1.6865346593524353
Energy: 0.6648481460875814
Energy: 3.5542969217757063
Energy: 1.697793086494549
Energy: 0.6321156142092599
Energy: 2.9166641126929598
Energy: 0.6390534874275725
Energy: 0.6752152757018155
Energy: 0.6121864294844327
Energy: 0.6072078657410417
Energy: 0.6300982584193517
Energy: 0.6110011735057113
Energy: 0.6054104023839956
Energy: 0.6813653509799669
Energy: 0.6354540799695058
Energy: 0.6376283870227982
Energy: 0.6376978634106419
Energy: 0.6365610125794239
Energy: 0.6363656087305869
Energy: 0.6829123806380194
Energy: 0.6395509919069066
Energy: 0.6369508938858017
Energy: 0.6357026567842511
Energy: 0.6467159396147114
Energy: 0.6396002414594614
Energy: 0.7745774436786166
Energy: 0.6397854635460306
Energy: 0.6391964267048057
Energy: 0.633090150887226
Energy: 0.6378558261854632
Energy: 0.6392706567703439
Energy: 0.7067780426624651
Energy: 1.8741674042058825
Energy: 1.8748835497546112
Energy: 0.6105351442616154
Energy: 0.64783772660744
Energy: 0.610047977771444
Energy: 0.718802042731357
Energy: 0.6390008357147383
Energy: 2.0210443396980007
Energy: 0.6109065736727892
Energy: 0.6383802199317512
Energy: 2.002965995006189
Energy: 2.094323486361855
Energy: 0.6398155174079003
Energy: 0.6398689567352321
Energy: 1.6766924380336838
Energy: 0.6409899054820014
Energy: 0.6324535369746305
Energy: 0.9219581718017738
Energy: 1.9004724624173355
Energy: 0.5696724802334044
Energy: 0.5705302520060779
Energy: 1.9074108277745034
Energy: 0.5688470588449375
Energy: 0.7005218812343564
Energy: 1.3000564981626714
Energy: 1.8937974299704783
Energy: 0.5844083727834136
Energy: 0.6277266501084713
Energy: 1.668911807328214
Energy: 3.880207240187049
Energy: 0.6283330771665142
Energy: 0.6246192119892366
Energy: 1.8461912547985129
Energy: 0.6317962489824888
Energy: 0.6421891579857684
Energy: 0.8443847728227807
Energy: 3.7503677443992425
Energy: 3.7431790169948926
Energy: 0.6092077234015774
Energy: 3.5589720283191757
Energy: 0.627959974822792
Energy: 0.7935707498794815
Energy: 0.6365892234011619
Energy: 0.6374099068312716
Energy: 0.6364036556196794
Energy: 0.6373841096628504
Energy: 0.6377392451087032
Energy: 0.8031754143081272
Energy: 0.635853187281875
Energy: 0.6365120717084846
Energy: 0.6451649507508274
Energy: 0.6370985520695166
Energy: 0.6408760057827274
Energy: 0.8342551152566511
Energy: 0.6390174990138716
Energy: 0.636438554619171
Energy: 0.651496033477334
Energy: 0.6299613200387997
Energy: 0.6383178743815654
Energy: 0.7704531568423673
Energy: 0.6139417972811277
Energy: 0.6103493141227516
Energy: 0.6452372252022626
Energy: 0.6108339314573121
Energy: 2.001379938956791
Energy: 0.6866679357449612
Energy: 0.6135882615144354
Energy: 0.6103372316542109
Energy: 0.6390182189411209
Energy: 0.6105776046923957
Energy: 1.9995266055748353
Energy: 0.6949553794920369
Energy: 0.6345099723453256
Energy: 0.6328513604657225
Energy: 0.6421529110420898
Energy: 0.6341094986278856
Energy: 0.6355334145042427
Energy: 0.7334834556951084
Energy: 0.5631285621742226
Energy: 0.5697889434905782
Energy: 1.895513766876549
Energy: 0.5696751832102676
Energy: 0.5697681758695351
Energy: 0.6637509231266258
Energy: 0.5835127020038114
Energy: 0.5840452936514535
Energy: 0.626074740853898
Energy: 0.5847430777068323
Energy: 1.8795718852237016
Energy: 0.6628637841246019
Energy: 0.6368743106448711
Energy: 0.6302691536448565
Energy: 0.6325449412840037
Energy: 1.6367668647950275
Energy: 0.6276548397282545
Energy: 0.6651735540994991
Energy: 0.6109725991383326
Energy: 0.6104397834446597
Energy: 0.6279060048294748
Energy: 0.6097932327354875
Energy: 0.6105560796288426
Energy: 0.6799977851253219
Energy: 0.638641643109212
Energy: 0.6134537419179291
Energy: 0.6366408540154437
Energy: 3.1227295809386173
Energy: 0.6353947867067432
Energy: 0.6770421628550104
Energy: 0.5968290927774248
Energy: 0.6338841304587571
Energy: 0.6381460090944002
Energy: 0.6470577606118737
Energy: 0.6376277250760637
Energy: 0.6795349887600268
Energy: 0.6042604084685546
Energy: 0.6005579345431481
Energy: 0.6237094409503829
Energy: 0.6009868877523191
Energy: 0.6060675153685773
Energy: 0.7090605492123988
Energy: 0.606732347540418
Energy: 1.8075289715315128
Energy: 0.6109061338733736
Energy: 0.6071170619701693
Energy: 1.8439348240434748
Energy: 0.7061674650304073
Energy: 1.7988036649749535
Energy: 2.028555780378743
Energy: 0.6103886911361294
Energy: 0.5998132185166024
Energy: 0.6107046307436391
Energy: 0.7712547210065268
Energy: 0.5995967032114479
Energy: 0.597532816670776
Energy: 0.5996492186905911
Energy: 0.5946898272033744
Energy: 0.6017287600072457
Energy: 0.917478128293378
Energy: 1.9021066542314713
Energy: 0.5700560264747778
Energy: 0.5850255540534969
Energy: 1.89259922903148
Energy: 0.5934178849050057

minimum gb energy = 0.5631285621742226 eV
minimum distance =  2.48673146203841 Angstroms
sigma value = 51


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

Energy: 0.9222284228474983
Energy: 3.5305283356013004
Energy: 2.75907868723385
Energy: 0.6238306463607254
Energy: 1.8269281443349294
Energy: 0.6203946195633018
Energy: 0.8005885385992236
Energy: 0.5911309449220834
Energy: 0.5887315608261786
Energy: 1.6174745562482398
Energy: 0.5963570161614148
Energy: 1.601508932827741
Energy: 0.8184452007592518
Energy: 0.591243836078874
Energy: 0.5916019226236681
Energy: 2.477531645763631
Energy: 0.5970699459810143
Energy: 1.5290823201668666
Energy: 0.8175191554399813
Energy: 2.468354727276382
Energy: 2.517056084540074
Energy: 0.6000633161342317
Energy: 0.5881787335085288
Energy: 0.5952205846167974
Energy: 0.75894211999535
Energy: 0.6073686814769412
Energy: 0.6057099339877843
Energy: 0.6177600998087664
Energy: 0.6074659729091532
Energy: 0.6052787492713952
Energy: 0.7029430553134309
Energy: 1.5175534470071728
Energy: 0.601778578105382
Energy: 0.603473769970656
Energy: 1.4927389921407068
Energy: 0.6017185900391697
Energy: 0.7021195689057166
Energy: 0.6046242890785719
Energy: 0.6053532354095675
Energy: 0.6064532801605999
Energy: 0.6200678936948073
Energy: 0.6044481397899497
Energy: 0.7256284894426484
Energy: 2.504916736186804
Energy: 0.5867738072194554
Energy: 1.5543027518640489
Energy: 2.4500535783533315
Energy: 0.586681524252014
Energy: 0.6326392638518133
Energy: 0.5862069873035815
Energy: 0.5866426991675728
Energy: 0.5903360739950387
Energy: 0.5858901415653326
Energy: 1.5427772450781718
Energy: 0.6315589408562168
Energy: 0.6465545845422805
Energy: 0.5992939290745836
Energy: 0.5963471711954295
Energy: 2.5512993081903232
Energy: 0.5909302965453569
Energy: 0.6290482389569022
Energy: 2.612025349450028
Energy: 1.7633745289134666
Energy: 2.93769915107915
Energy: 2.672414594919265
Energy: 0.5884005918102154
Energy: 0.6391836118926094
Energy: 2.5109602670073117
Energy: 2.6260926322397906
Energy: 0.603707955814632
Energy: 0.6018891590989853
Energy: 0.5994187706014538
Energy: 0.6360695716242464
Energy: 0.5971017933069189
Energy: 0.5979043081558707
Energy: 0.5991431979064389
Energy: 0.5978941296316205
Energy: 0.595798247023546
Energy: 0.6386257177717317
Energy: 2.440755088123606
Energy: 1.5274325387045449
Energy: 0.5981699873144645
Energy: 2.43616761166219
Energy: 0.5974641622148583
Energy: 0.751513267518683
Energy: 0.601931057322798
Energy: 0.6006847859851342
Energy: 0.5991279440772366
Energy: 0.5998037451641542
Energy: 1.5074649403776896
Energy: 0.7413638363504481
Energy: 1.5102097214962888
Energy: 1.5394397801071418
Energy: 0.5998871884605758
Energy: 0.6034413519156343
Energy: 0.5999950631230654
Energy: 0.7578509022322741
Energy: 0.598798439840728
Energy: 0.5982904297264066
Energy: 0.6033899899296487
Energy: 0.6043150574932143
Energy: 0.5986232606330817
Energy: 0.8888318909260061
Energy: 1.660511831602825
Energy: 2.539768923154725
Energy: 0.5860288385753305
Energy: 1.7460051987020682
Energy: 2.5517649228290047

minimum gb energy = 0.5858901415653326 eV
minimum distance =  0.879829004956454 Angstroms
sigma value = 19


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

Energy: 0.7759065169136962
Energy: 3.149991136640181
Energy: 0.5534247745355636
Energy: 0.6579475159354066
Energy: 2.940120918353924
Energy: 0.6575004436567446
Energy: 2.7613570558571703
Energy: 0.5362514705764849
Energy: 0.5358210464435033
Energy: 2.942257159950044
Energy: 0.5475267653441258
Energy: 2.8724627553054485
Energy: 5.060543862348374
Energy: 0.5526542239217451
Energy: 0.5366633347769837
Energy: 4.996007617805359
Energy: 0.5691233267344746
Energy: 0.5359878542432873
Energy: 0.6574437808665893
Energy: 0.537037858473384
Energy: 4.993309801662613
Energy: 0.5495381845244797
Energy: 0.5360869279456902
Energy: 4.992147851307746
Energy: 0.6619692213934588
Energy: 2.6582380345664016
Energy: 2.693505693352852
Energy: 0.5565007149987906
Energy: 2.684921963593063
Energy: 0.5595919144531153
Energy: 0.6602335741579207
Energy: 0.5166197290159872
Energy: 2.674719643159929
Energy: 0.5681687147977807
Energy: 0.5168814471655212
Energy: 2.6968473253710075
Energy: 0.6612755673614613
Energy: 0.5542893397951236
Energy: 0.553723778805048
Energy: 0.5739171857453256
Energy: 0.5267135728438653
Energy: 0.5542073784474044
Energy: 0.6441817201113506
Energy: 0.5191400990956543
Energy: 0.5186146700723336
Energy: 2.846707952903947
Energy: 0.518344476281236
Energy: 0.5179965185873946
Energy: 0.5684863678761835
Energy: 0.5163427691924339
Energy: 0.5166477751789494
Energy: 0.5353061520171086
Energy: 0.517144790734196
Energy: 0.5160775314557047
Energy: 0.5688714853566318
Energy: 0.5362129188177005
Energy: 0.5367437728401718
Energy: 0.5685493018263463
Energy: 0.5370488264465917
Energy: 0.5375746071333869
Energy: 0.5672964761070469
Energy: 0.5485783543866246
Energy: 0.5489813877787195
Energy: 0.5512168138494755
Energy: 0.5479998730993878
Energy: 5.013321890440224
Energy: 0.6623644163149683
Energy: 0.557175120419979
Energy: 0.5575555166021536
Energy: 0.5536729912770111
Energy: 0.5583050881996506
Energy: 0.5378330099639234
Energy: 0.5510332040048166
Energy: 0.5500873811797549
Energy: 2.685272710780069
Energy: 0.5152101845991585
Energy: 0.550782065339342
Energy: 2.7562618514330994
Energy: 0.6618725912320961
Energy: 0.5758568912015863
Energy: 0.5537932565365481
Energy: 0.557219185804383
Energy: 0.5730515383843178
Energy: 0.5536611491599891
Energy: 0.7606530389662868
Energy: 2.842167123804858
Energy: 2.952189299175192
Energy: 0.5167025361147729
Energy: 0.5349080559804029
Energy: 0.5163160414829732
Energy: 0.7590579014034208
Energy: 2.8723249833892743
Energy: 0.5183851948698655
Energy: 0.5215314841951031
Energy: 2.8515138436998697
Energy: 0.5178815306742862
Energy: 0.6621159538256285
Energy: 0.5523421500519049
Energy: 0.5365463668341058
Energy: 0.5551456127759797
Energy: 0.5530096929326002
Energy: 0.5369600201326946
Energy: 0.6584025834199319
Energy: 0.5361885776374623
Energy: 0.5365333144359022
Energy: 0.5523939569339031
Energy: 0.5531503792345941
Energy: 5.0133134572067295
Energy: 0.6615732291665689
Energy: 0.5521345587869216
Energy: 0.5362141003654204
Energy: 0.552829255777775
Energy: 0.5531284993326239
Energy: 0.5358720127036758
Energy: 0.6620286204631907
Energy: 0.5168869492330975
Energy: 2.66619187605164
Energy: 0.5554779699984522
Energy: 0.5179673782033174
Energy: 2.8070409165232055
Energy: 0.6627236321328345
Energy: 2.6944124113802372
Energy: 0.5560298365548207
Energy: 0.5736890220326204
Energy: 2.680509037581808
Energy: 0.5521832083498295
Energy: 0.6622439162507694
Energy: 2.8451925787994936
Energy: 2.9234592349559
Energy: 0.5720705915798485
Energy: 2.854916164292252
Energy: 0.5550274135790156
Energy: 0.5579376350501762
Energy: 0.5166294511094108
Energy: 0.5178759435233709
Energy: 2.8976321440794544
Energy: 0.5172297724172517
Energy: 0.5171058658588882
Energy: 0.5697348912250367
Energy: 2.86944094815453
Energy: 2.8630634423872916
Energy: 0.5516496988347458
Energy: 0.5172810758097107
Energy: 2.9511589500257434
Energy: 0.5707782897040357
Energy: 2.886035064978596
Energy: 0.5360126777318853
Energy: 0.5685744982665112
Energy: 2.728722936631694
Energy: 0.5362738057598022
Energy: 0.6473937300942341
Energy: 0.5503581077148301
Energy: 0.5489435946298159
Energy: 0.5354791737402008
Energy: 0.5486189156078359
Energy: 4.986380077892562
Energy: 2.67833411021971
Energy: 0.5552796116774081
Energy: 0.5556297884710014
Energy: 2.6984425237958094
Energy: 0.5552393342822673
Energy: 0.5602860017873245
Energy: 0.5571140067490989
Energy: 0.551598535861584
Energy: 2.709288207881438
Energy: 0.5181253984123592
Energy: 0.5678235380908973
Energy: 2.663885020542032
Energy: 0.6478480999266714
Energy: 0.5691919426509381
Energy: 0.5543565211163303
Energy: 0.5246538962480405
Energy: 0.5699592696968812
Energy: 0.5536415835158904
Energy: 0.757536580671435
Energy: 2.873440598615837
Energy: 0.5177821104017176
Energy: 0.5180434982360729
Energy: 2.857830316052646
Energy: 0.5178231904339243

minimum gb energy = 0.5152101845991585 eV
minimum distance =  2.56815186577143 Angstroms
sigma value = 27


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

Energy: 0.6748960857503864
Energy: 2.2834768180430474
Energy: 0.5746367896364827
Energy: 0.5821614316962819
Energy: 2.479841693899612
Energy: 0.5746700972443323
Energy: 2.2888759941247434
Energy: 0.5556725820558327
Energy: 0.556342327601567
Energy: 1.9116902516098733
Energy: 0.5566942911713649
Energy: 1.9548148002587284
Energy: 1.858660322010416
Energy: 0.5577794574462304
Energy: 0.5568852871133688
Energy: 1.8586123822823255
Energy: 0.5561231509605898
Energy: 0.5474762789614738
Energy: 3.250442043921829
Energy: 0.5606899678106925
Energy: 0.5571145511447555
Energy: 3.217388181235202
Energy: 0.5565084840642645
Energy: 0.5557722814528412
Energy: 0.6723725761646523
Energy: 0.5270958589119141
Energy: 1.9308189883734856
Energy: 0.5587191054030698
Energy: 0.5276063301948076
Energy: 1.9236268526567448
Energy: 0.576406442706948
Energy: 0.5255070988172921
Energy: 0.5259002217904517
Energy: 0.5552700481359836
Energy: 0.5293984166558
Energy: 0.5272582263661035
Energy: 0.5724212766538261
Energy: 0.5512738626050121
Energy: 0.5476492346268512
Energy: 0.5590814091732607
Energy: 0.5534829574903452
Energy: 0.57262591072758
Energy: 0.5706676351462673
Energy: 0.5581968057553933
Energy: 0.5496416003763205
Energy: 0.5553982362796013
Energy: 0.5570526836438086
Energy: 0.5639295942275818
Energy: 0.6218516341984818
Energy: 0.5436425933209074
Energy: 3.3051495573385736
Energy: 0.5552313063348517
Energy: 0.55338362185676
Energy: 3.408677974463262
Energy: 0.5584627578019592
Energy: 0.5418521317878606
Energy: 0.5388229418854281
Energy: 1.8249439666997842
Energy: 0.5436376824593069
Energy: 0.5393881567557054
Energy: 1.8518056061877317
Energy: 0.5522431307873826
Energy: 0.5533345138344699
Energy: 1.8400755478914053
Energy: 0.5652802319679667
Energy: 0.5526578485581335
Energy: 0.6199605020435607
Energy: 0.5544646924377462
Energy: 0.5512353184825748
Energy: 1.9171849640878575
Energy: 0.5492905738168674
Energy: 1.9745447793589175

minimum gb energy = 0.5255070988172921 eV
minimum distance =  0.914665624340263 Angstroms
sigma value = 9


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

Energy: 2.424013457801511
Energy: 3.2821549148654556
Energy: 0.5049730009811839
Energy: 2.4146071441880617
Energy: 3.437008059837186
Energy: 0.5058333445582234
Energy: 1.699363159675092
Energy: 0.500714913543647
Energy: 0.5173475087182322
Energy: 1.3274256249173204
Energy: 0.49932933683959435
Energy: 1.3173081132919386
Energy: 0.5428165125470998
Energy: 0.49928709745399147
Energy: 0.5029016476340696
Energy: 0.5112264249306976
Energy: 0.4969572908706874
Energy: 0.49970379133320186
Energy: 0.5393420744562764
Energy: 0.49123591210506545
Energy: 0.4889871229033923
Energy: 0.5046869825178044
Energy: 0.4964469607057762
Energy: 0.49881067555599096
Energy: 0.6592201972100197
Energy: 0.5149633004543219
Energy: 0.5146140005667574
Energy: 0.5086222192614026
Energy: 0.5087403726345576
Energy: 0.5171023697208841
Energy: 0.5094451208063818
Energy: 0.5213421676164076
Energy: 2.0789763397545724
Energy: 1.41589640168235
Energy: 0.5054480292483414
Energy: 2.1440457827172192
Energy: 0.5068169029604396
Energy: 0.49073852839358223
Energy: 0.5045064453496906
Energy: 0.5058180239737905
Energy: 0.49424075516491134
Energy: 0.5200011456043978
Energy: 0.5179245379455449
Energy: 0.5116029396367943
Energy: 2.0325900564326695
Energy: 0.5177556635756886
Energy: 0.5056399072131204
Energy: 2.0318270078989293
Energy: 0.706441418119969
Energy: 0.5221498866325908
Energy: 0.5159034858696812
Energy: 0.5098934930748501
Energy: 2.0452164067908027
Energy: 0.5119544397664079
Energy: 0.5105750676788303
Energy: 1.4321429791129372
Energy: 1.374653473862548
Energy: 0.5094144109787611
Energy: 0.49665860067643786
Energy: 0.5020677954676683
Energy: 0.5085155101916238
Energy: 0.5083235008100663
Energy: 1.2779844238936897
Energy: 0.5075629688316234
Energy: 0.5149805463776067
Energy: 1.2706118985322634
Energy: 2.2359647949358443
Energy: 0.5103729746688597
Energy: 0.5099921371189926
Energy: 0.5043072639221012
Energy: 0.5104112962974299
Energy: 0.5174636212342765
Energy: 2.257211805672679
Energy: 2.439720157402244
Energy: 0.5128363385941185
Energy: 2.087667619675916
Energy: 2.415311722867401
Energy: 0.5072216251762988
Energy: 0.7074134497331303
Energy: 0.5200076962726409
Energy: 0.5090958178292476
Energy: 0.5027270405694783
Energy: 0.5140435568503682
Energy: 0.5075495215268473
Energy: 0.5114678730198658
Energy: 0.4935205897962541
Energy: 0.4989905559658421
Energy: 0.5005020282093614
Energy: 0.49634737636178344
Energy: 1.2719292072810662
Energy: 0.5077977469903269
Energy: 0.5070847752980792
Energy: 0.5021536500087205
Energy: 0.49714656843285454
Energy: 0.5133706484527201
Energy: 0.4989497145591158
Energy: 0.5137808555508819
Energy: 0.49073175931828356
Energy: 0.5060444479426905
Energy: 0.5016213352957599
Energy: 2.051076007627099
Energy: 2.095546036605841
Energy: 0.5702071940489581
Energy: 0.5153117361056874
Energy: 2.073284798311573
Energy: 2.2550987505730005
Energy: 0.513393967345858
Energy: 2.119501864239812
Energy: 0.5514514220425997
Energy: 0.4980737556596861
Energy: 0.49846690268074695
Energy: 0.4952360934186933
Energy: 0.4958913796386697
Energy: 0.4995033240562352
Energy: 1.235103545431945
Energy: 0.49189679816923465
Energy: 0.4929579274567452
Energy: 1.211360673601595
Energy: 0.4941194010338904
Energy: 0.4941305774805327
Energy: 0.5472163490267637
Energy: 0.4921665059866746
Energy: 0.5007763583387185
Energy: 0.5036231183740866
Energy: 0.4956442587858664
Energy: 0.501592517149911
Energy: 0.5618838815187954
Energy: 3.0384673416600543
Energy: 2.106921549357673
Energy: 0.5051568215116808
Energy: 1.4826423442171115
Energy: 0.49958417705241864
Energy: 0.5702168694276251
Energy: 1.3806116820187808
Energy: 2.2084741078568606
Energy: 0.508292263538385
Energy: 1.4403434648369096
Energy: 2.1448691738806334
Energy: 0.5442023191498349
Energy: 0.49961987637771194
Energy: 0.5031285630896618
Energy: 0.5153577861777447
Energy: 0.4972813784649036
Energy: 0.5013270710304147
Energy: 2.0212959468162714
Energy: 0.5016194450605082
Energy: 0.5126253470102913
Energy: 1.3726736859063142
Energy: 0.5003445535697582
Energy: 0.5287589053899515
Energy: 0.5415350788016414
Energy: 1.3417025120300157
Energy: 0.5097417241260835
Energy: 0.5122538514424901
Energy: 1.270118908653839
Energy: 0.5061130323469075
Energy: 0.5009257160146622
Energy: 0.5118047459150887
Energy: 0.5231464395316769
Energy: 1.8048263491063943
Energy: 0.5142651786719769
Energy: 2.2926015795241224
Energy: 0.5136034914179196
Energy: 1.2617665924438777
Energy: 1.2840000628648467
Energy: 0.507818709924476
Energy: 1.2696136297587812
Energy: 0.52227528018086
Energy: 0.5113704832696062
Energy: 0.5195264684261564
Energy: 0.5124964752798431
Energy: 0.5069974886447265
Energy: 2.0708887567149032
Energy: 0.5106315461394504
Energy: 0.6119265199118993
Energy: 0.5092256780668742
Energy: 2.0386326045936483
Energy: 0.49191210863147783
Energy: 0.5030854002190326
Energy: 2.0303453106156573
Energy: 0.5065409744086161
Energy: 0.5023411785944055
Energy: 0.5025755338408948
Energy: 0.5267852614286992
Energy: 0.49569749324260404
Energy: 0.5112101915521058
Energy: 2.080946779015548
Energy: 1.4150686071010328
Energy: 1.319781874624698
Energy: 0.509284917651519
Energy: 0.5196561006435885
Energy: 0.5041805176320314
Energy: 0.6243222797001693
Energy: 0.5096589122179893
Energy: 0.5129264752344738
Energy: 0.5049304468986864
Energy: 0.5060653630435468
Energy: 0.5046480082350303
Energy: 0.5338594153644102
Energy: 2.0890171422160093
Energy: 2.133450456940903
Energy: 0.5107173923511807
Energy: 0.5091389088885361
Energy: 0.5047470000356951
Energy: 0.5456244013271513
Energy: 0.5200969120700981
Energy: 0.5211452722992633
Energy: 0.5173306415258497
Energy: 0.509261797874065
Energy: 2.0774009196228134
Energy: 0.6197137151643773
Energy: 0.5021726766103477
Energy: 1.2716861543395708
Energy: 0.5053832591646559
Energy: 0.5045986466107713
Energy: 0.4940595602221916
Energy: 0.5068674444353114
Energy: 1.293280872332796
Energy: 0.5062391850484358
Energy: 0.49692121942981915
Energy: 1.2803892681751718
Energy: 0.4963609511831619
Energy: 0.5134676688059447
Energy: 2.036566752052422
Energy: 0.5002755551538841
Energy: 0.5001954555467468
Energy: 2.0878278028641044
Energy: 0.5133881840627466
Energy: 0.5076278057948158
Energy: 0.5087566876883816
Energy: 0.5092436257565814
Energy: 2.2558468458135366
Energy: 0.5113847255899264
Energy: 2.0955327783010813
Energy: 0.5408602584089433
Energy: 2.069212800635092
Energy: 2.108678593735477
Energy: 0.5016876485358434
Energy: 2.0636599414919705
Energy: 0.502982429109342
Energy: 1.2220335455706897
Energy: 0.5043112219033922
Energy: 0.49770167263260734
Energy: 1.2356911651532172
Energy: 0.49468485915335886
Energy: 0.4898873178515163
Energy: 0.5418702993785015
Energy: 0.4919556951811906
Energy: 0.493235630897121
Energy: 0.5060380206658579
Energy: 0.4910282618564325
Energy: 0.496733363052208
Energy: 0.5623814895761758
Energy: 1.4032040470962006
Energy: 1.4561875736271397
Energy: 0.5063783866776781
Energy: 0.5017335611170729
Energy: 1.3063780945686416

minimum gb energy = 0.4889871229033923 eV
minimum distance =  0.906402713816147 Angstroms
sigma value = 57


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

Energy: 0.23518673655563999
Energy: 3.9261172420500388
Energy: 0.2566819440484602
Energy: 0.2358000516203599
Energy: 3.9627999598772607
Energy: 0.23723096241272532
Energy: 3.925776832737889
Energy: 0.24416475019643274
Energy: 0.24482497482465576
Energy: 3.920289545830609
Energy: 0.24407274137140672
Energy: 4.019413383210944
Energy: 0.30037790061526715
Energy: 0.24416408610059176
Energy: 0.24734465646503584
Energy: 0.2632476645564245
Energy: 0.26498836902895234
Energy: 0.25845831333392466
Energy: 0.30039591284050926
Energy: 0.24589472826174305
Energy: 0.25024308529537675
Energy: 0.26488489547166444
Energy: 0.2628187271998926
Energy: 0.2622961256883872
Energy: 0.29928117143281185
Energy: 0.23655008910679606
Energy: 0.2437503571169587
Energy: 0.26433144502348727
Energy: 0.23570457560146502
Energy: 3.948614508724443
Energy: 0.26865378189321926
Energy: 0.2388360966944108
Energy: 0.23919873852094675
Energy: 3.9707394056778766
Energy: 0.23779697758864876
Energy: 0.24062721643526364
Energy: 0.26490740664987783
Energy: 0.24299560875573936
Energy: 0.25282484040171693
Energy: 0.26157609472859983
Energy: 0.24161703104198867
Energy: 0.2528847773037242
Energy: 0.26811286010254376
Energy: 0.24509614592636383
Energy: 0.2599005892842551
Energy: 0.267924223264571
Energy: 0.2442792752962595
Energy: 0.26216592384774007
Energy: 0.29903654708739
Energy: 0.25869693866292337
Energy: 0.2554468670435505
Energy: 0.2659180373747624
Energy: 0.261574066009886
Energy: 0.2541674836015533
Energy: 0.23595339972424734
Energy: 3.931086656798796
Energy: 0.23857216158071204
Energy: 0.23574651322324253
Energy: 3.917183579241231
Energy: 0.24169173951934342
Energy: 0.23638609837696084
Energy: 3.943898552194317
Energy: 3.910462093792861
Energy: 0.2343642723735886
Energy: 3.9323929505801094
Energy: 0.24877946568521275
Energy: 0.30130339296683273
Energy: 0.26104507830314444
Energy: 0.25191572661120953
Energy: 0.24605667531049766
Energy: 0.2633728299079376
Energy: 0.24436699899503733
Energy: 0.47589078267269075
Energy: 0.26088702728450514
Energy: 0.24543507771628112
Energy: 0.26035895990112345
Energy: 0.24895045511384511
Energy: 0.2451469580552964
Energy: 0.2990105096845292
Energy: 3.9229586004071035
Energy: 3.896426928688853
Energy: 0.2634246167913912
Energy: 3.980348778806172
Energy: 0.24582815510974756
Energy: 0.2468838573696677
Energy: 0.23408210206633034
Energy: 0.23660123931122237
Energy: 3.944238304160419
Energy: 0.2342317361072688
Energy: 0.24717409310232646
Energy: 0.26644621756547515
Energy: 3.968034746328774
Energy: 3.917118660053199
Energy: 0.2637949331479582
Energy: 0.2342995877137968
Energy: 3.9040389159628295
Energy: 0.27007272556653505
Energy: 0.2548465798830805
Energy: 0.254647508171513
Energy: 0.2653365499327074
Energy: 0.26176251172388726
Energy: 0.2556085379075042
Energy: 0.3042902969172059
Energy: 0.24528177356639735
Energy: 0.26501261497159884
Energy: 0.2973952523161816
Energy: 0.2478314877354937
Energy: 0.2624025475547941
Energy: 0.23638991741479093
Energy: 4.004945462136692
Energy: 3.9085006469824974
Energy: 0.23428490241268274
Energy: 0.24260739534271378
Energy: 3.9025853745655463

minimum gb energy = 0.23408210206633034 eV
minimum distance =  0.88536016910323 Angstroms
sigma value = 11


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

Energy: 0.701034005409963
Energy: 3.105996366308268
Energy: 0.42430558189211537
Energy: 0.4346907944856722
Energy: 2.938386637786143
Energy: 2.187185755149324
Energy: 2.059708251766457
Energy: 0.44306259649053986
Energy: 0.4455644306490863
Energy: 1.8110468770281822
Energy: 0.4562923496569515
Energy: 0.4396923207838567
Energy: 0.450101825831433
Energy: 0.433169903981586
Energy: 0.4358865433403232
Energy: 0.4370483067964936
Energy: 0.43447129903086185
Energy: 0.4362220085303072
Energy: 0.4506346068323861
Energy: 0.4338422985684351
Energy: 0.434700102922091
Energy: 0.43708286890681813
Energy: 0.44601529731606615
Energy: 0.4371728760177584
Energy: 0.4738525987490041
Energy: 1.7615404115078819
Energy: 1.7510754282190883
Energy: 0.44630633547617876
Energy: 0.43269081252950115
Energy: 1.7983973902835642
Energy: 0.5153087608434909
Energy: 0.4349131424071428
Energy: 0.4368332242471266
Energy: 1.814043873217506
Energy: 0.4350272550483636
Energy: 1.7596089675483424
Energy: 0.5866243629189741
Energy: 0.4372167179130408
Energy: 0.44080383274673224
Energy: 0.44299628657888773
Energy: 0.43664182870077606
Energy: 0.43906845956924456
Energy: 0.4752858702470777
Energy: 0.48701100070038844
Energy: 0.42971850970833314
Energy: 0.44557464762999477
Energy: 0.4856906985630743
Energy: 1.096595554635412
Energy: 0.5851892108048901
Energy: 0.43702232362585874
Energy: 0.43234462974751153
Energy: 0.4427742162133902
Energy: 0.4363511355371336
Energy: 0.43315023480576914
Energy: 0.6165240789104623
Energy: 1.7570894702619317
Energy: 1.7352234038627532
Energy: 0.433066960213179
Energy: 1.74795882060019
Energy: 0.4348760525142659
Energy: 1.9853387680753067
Energy: 0.4291308784499679
Energy: 1.767014264090322
Energy: 1.150773419744755
Energy: 0.4433641573143527
Energy: 1.751335954473558
Energy: 0.4909448321787505
Energy: 0.4362715563868169
Energy: 1.1137975068486337
Energy: 0.44110561684638033
Energy: 0.4285861854597773
Energy: 1.0906123484316885
Energy: 0.49790205688908756
Energy: 0.4403007396631576
Energy: 0.4371082518856145
Energy: 0.4363440180023056
Energy: 0.4274864047690237
Energy: 1.0916126247051938
Energy: 0.5229328239052988
Energy: 0.4285893230121285
Energy: 0.4263938374972998
Energy: 0.4343088184710598
Energy: 0.4338506482510156
Energy: 0.426662940500394
Energy: 0.4916409994987691
Energy: 0.4322838917994172
Energy: 0.43189632791612526
Energy: 0.4462098254048898
Energy: 0.4336892653012469
Energy: 1.975392168976955
Energy: 0.7144624825451452
Energy: 0.4288518716459545
Energy: 0.42541624760091007
Energy: 0.44353621310778135
Energy: 0.43279529391840355
Energy: 0.42529540457813286
Energy: 0.6820175222388974
Energy: 1.4050190363769157
Energy: 0.43930718065509833
Energy: 0.43406851703597926
Energy: 1.1031629969188663
Energy: 1.7687798494812106
Energy: 0.7301084637175191
Energy: 0.43016546869846933
Energy: 0.42679138425114327
Energy: 0.43493157034323815
Energy: 0.44468399389521474
Energy: 1.090756914286429
Energy: 0.7100282348185476
Energy: 0.43832767483172935
Energy: 0.43274014262022564
Energy: 0.4340060663209398
Energy: 0.4426373229147937
Energy: 0.4337880654979981
Energy: 0.5756843086727024
Energy: 0.4347140988951827
Energy: 0.4340437833896801
Energy: 0.4346489906300062
Energy: 0.4388028627977115
Energy: 1.858479224026665
Energy: 0.7135414341508907
Energy: 0.427783150873246
Energy: 1.0877852470142895
Energy: 0.43990071640229506
Energy: 0.42876148243549617
Energy: 0.42504363441630205
Energy: 0.49161336978660164
Energy: 0.4329323494418746
Energy: 0.4309314934584752
Energy: 1.5727347903061315
Energy: 0.4357296817377079
Energy: 1.9948796405585738
Energy: 0.45085633160352057
Energy: 1.1135442315800015
Energy: 0.43433842037461273
Energy: 0.44857194267504297
Energy: 0.4376000433459374
Energy: 0.4329196666225087
Energy: 0.4396040529166775
Energy: 0.44277246675853693
Energy: 0.436760808320725
Energy: 0.4332922518269057
Energy: 0.43506230989631267
Energy: 0.4313140143966524
Energy: 0.4444156072849478
Energy: 0.4388844620885519
Energy: 0.4398654172477708
Energy: 0.4363725561332532
Energy: 0.4373154934045835
Energy: 0.4366793856219396
Energy: 2.010352876753373
Energy: 1.1531134326403614
Energy: 2.465957534810025
Energy: 1.7721091501061406
Energy: 1.125715463688652
Energy: 1.7582695720670356

minimum gb energy = 0.42430558189211537 eV
minimum distance =  0.875454929783969 Angstroms
sigma value = 41


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

Energy: 0.7040778039713382
Energy: 3.97974992360135
Energy: 2.938091228741012
Energy: 0.4692000737399151
Energy: 2.1133817728185353
Energy: 0.46703729676818423
Energy: 0.5116514789516879
Energy: 0.47166921249431093
Energy: 0.47880082637866295
Energy: 1.547721796506023
Energy: 0.4774031607416866
Energy: 1.5542304043027224
Energy: 0.49057625192751725
Energy: 1.4574843201426162
Energy: 0.46814611191936284
Energy: 0.4702298799134583
Energy: 1.4606160239176984
Energy: 0.465999218117232
Energy: 0.49064545506171264
Energy: 0.4678482372534229
Energy: 0.4711416688370662
Energy: 0.47044419200669346
Energy: 0.47243628617373457
Energy: 0.4711508184958526
Energy: 0.500289548803512
Energy: 0.4774359070242227
Energy: 0.4766127840660136
Energy: 0.4785504831813893
Energy: 0.4773977458928158
Energy: 2.539372630456273
Energy: 0.5652081664762583
Energy: 0.4737183732016206
Energy: 0.4746902773245851
Energy: 3.032314944835349
Energy: 0.4640928111815175
Energy: 0.47414594784799013
Energy: 0.661426207657525
Energy: 0.46682468988476256
Energy: 0.46685734421395025
Energy: 0.4764804998777929
Energy: 0.4708425622710417
Energy: 0.4681145924361607
Energy: 0.5316447337530089
Energy: 1.5396867421446667
Energy: 1.5391209707871278
Energy: 0.47315741634593256
Energy: 0.5584032867114441
Energy: 0.47221471759184375
Energy: 0.6611112556665176
Energy: 0.4823034522820689
Energy: 0.4784452213066946
Energy: 0.48810105110479907
Energy: 0.48096906254235144
Energy: 0.47669869461123465
Energy: 0.6864073136430444
Energy: 0.4676917373378544
Energy: 2.6416971282505215
Energy: 0.4690046501589692
Energy: 0.468346416051316
Energy: 2.732442120477516
Energy: 0.6761669713471034
Energy: 0.4790408745707836
Energy: 0.4774174283619798
Energy: 0.46777425042466275
Energy: 0.47649801386592444
Energy: 0.47782023927205575
Energy: 0.6622277780289394
Energy: 0.4678642327154841
Energy: 0.4667049998266419
Energy: 0.4688779443851238
Energy: 0.46354232505850307
Energy: 1.5291710332105148
Energy: 0.500507538962914
Energy: 0.4685997796162272
Energy: 0.46498251135336016
Energy: 0.4687761724346101
Energy: 0.45752482262210914
Energy: 0.4653028131809809
Energy: 0.5142353214951083
Energy: 0.47719103929374745
Energy: 0.4775007276392793
Energy: 0.48005879387094774
Energy: 0.46848623286304125
Energy: 0.47846232397164146
Energy: 0.48181435089052305
Energy: 1.6583412693296942
Energy: 0.46707596086428166
Energy: 0.46288135454222046
Energy: 2.5203996203522987
Energy: 0.46238239327145275
Energy: 0.4962769286697634
Energy: 0.4764770429640717
Energy: 0.46899238746319577
Energy: 1.559212402226288
Energy: 0.4794608668358673
Energy: 0.46882327580297906
Energy: 0.8543219399799414
Energy: 1.5311360717506564
Energy: 2.7073158138050184
Energy: 0.4540170320591637
Energy: 1.5660940133811123
Energy: 0.467206387720531
Energy: 2.800954737999033
Energy: 1.529421384569065
Energy: 1.5948749083391311
Energy: 2.568378615648514
Energy: 0.47542936225212645
Energy: 0.48466613095852284
Energy: 0.4913266560794675
Energy: 0.4706096959164503
Energy: 0.47056187021718704
Energy: 0.47009470775651535
Energy: 0.4701495184148497
Energy: 0.47061836700956056
Energy: 0.491653771500404
Energy: 0.47293331833948465
Energy: 0.4687775216425872
Energy: 0.47011994432404836
Energy: 0.47145157417017863
Energy: 0.4694837568419661
Energy: 0.49657836569535757
Energy: 2.5789539119400167
Energy: 2.5846594360066653
Energy: 0.479742378646162
Energy: 2.589913512072939
Energy: 0.4802360497442485
Energy: 0.5946647451785506
Energy: 0.4700912604585946
Energy: 0.4686218494471207
Energy: 3.1452082552536558
Energy: 2.5519051229281726
Energy: 0.467943882228908
Energy: 0.6616175097075251
Energy: 0.4798667636549816
Energy: 0.4792409240550599
Energy: 0.4781354830136244
Energy: 2.582518989583189
Energy: 0.4780317394617971
Energy: 0.5315630692512597
Energy: 1.5612826930028436
Energy: 1.5065099068872656
Energy: 0.4751473695236892
Energy: 0.4654619238290669
Energy: 0.46946411273692396
Energy: 1.5503785395331322
Energy: 0.4672100358274778
Energy: 0.468461809624579
Energy: 0.4768298927684746
Energy: 0.46670604512636976
Energy: 0.47453344021205884
Energy: 0.678242609214089
Energy: 0.4784100143435097
Energy: 0.4772639560558273
Energy: 0.47278315364664936
Energy: 0.4732600159461246
Energy: 2.5490380010542397
Energy: 0.6847298253628583
Energy: 0.4677928958236139
Energy: 2.6247220090802528
Energy: 0.4696992273641745
Energy: 0.46837993616252777
Energy: 2.5573756335057114
Energy: 0.6605656435749098
Energy: 0.46677681818449623
Energy: 1.5249049098755734
Energy: 0.48066194104385634
Energy: 0.4672945109359775
Energy: 1.5177097348751871
Energy: 0.585634882386185
Energy: 0.46744105623795884
Energy: 0.49468976587726793
Energy: 1.6053468235305137
Energy: 2.5833906711708488
Energy: 0.48914510566165603
Energy: 0.517263009596355
Energy: 0.48055752423728626
Energy: 0.47855783955453285
Energy: 0.47951673574304243
Energy: 0.4810601632610544
Energy: 0.4778695711722144
Energy: 0.4819648684278365
Energy: 0.4731705720645418
Energy: 0.464466567498361
Energy: 0.46308248770576743
Energy: 1.6347160726224523
Energy: 0.46095145376709007
Energy: 0.49363772266803313
Energy: 0.4750858489461218
Energy: 0.4692777241768749
Energy: 0.46884599951494843
Energy: 0.4758772182997375
Energy: 0.46576582841421355
Energy: 0.6066875064573908
Energy: 1.5402573704714015
Energy: 0.48466941863075097
Energy: 0.4590742668947634
Energy: 1.5361806841287373
Energy: 2.561084329261761

minimum gb energy = 0.4540170320591637 eV
minimum distance =  0.882445089501102 Angstroms
sigma value = 33


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

Energy: 0.5940904256972439
Energy: 2.414385409121481
Energy: 0.5044242452049698
Energy: 0.5215460796251815
Energy: 2.4199248170271446
Energy: 0.5052453452414757
Energy: 0.991838813894172
Energy: 0.5110247016800074
Energy: 0.5277235804393823
Energy: 2.042666642127013
Energy: 0.5138887596823353
Energy: 2.0501504636487495
Energy: 0.5358232186078183
Energy: 1.888727644851492
Energy: 0.5004180370272351
Energy: 0.5091509880455978
Energy: 1.8829437178088164
Energy: 0.5001875471672445
Energy: 0.533185386965708
Energy: 0.5035172918124888
Energy: 0.5014956358068242
Energy: 0.5131861476652779
Energy: 0.5015256617389652
Energy: 0.49731929979696576
Energy: 0.544586128041998
Energy: 0.5019424539440658
Energy: 3.4733690340439995
Energy: 0.5308759963856347
Energy: 0.5130440339607122
Energy: 3.4760304847537227
Energy: 0.6071318641259855
Energy: 0.5072312222553017
Energy: 0.506297548406597
Energy: 0.5014612099207634
Energy: 0.5106344452537006
Energy: 0.49964997886792706
Energy: 2.0712326598975754
Energy: 0.5195305889027011
Energy: 0.519314002658293
Energy: 2.0695307915652275
Energy: 0.5315344730451359
Energy: 0.5205515096560596
Energy: 0.5941723451997465
Energy: 1.9353883474881264
Energy: 0.48790458697809286
Energy: 0.5124229887960675
Energy: 1.9509403405831687
Energy: 0.4940409653810461
Energy: 0.5705198479061628
Energy: 0.5061838903282249
Energy: 0.5057927508985133
Energy: 0.5112503422378197
Energy: 0.504111142964875
Energy: 0.5069540934746676
Energy: 3.3933496425326792
Energy: 0.4955288147263556
Energy: 0.494127656218711
Energy: 3.411455095343598
Energy: 0.49909663041370306
Energy: 0.496514808296677
Energy: 1.9598831195924589
Energy: 0.49947217696700685
Energy: 0.4993802240472739
Energy: 0.5107545066304663
Energy: 0.5043307106095946
Energy: 0.5004878549606502
Energy: 0.5749523493966565
Energy: 0.499344968521243
Energy: 0.4997160526578155
Energy: 1.9916293214513292
Energy: 0.49749010355025997
Energy: 0.5020800844293053
Energy: 0.5728524412363719
Energy: 0.49714662812735505
Energy: 0.4986790970059209
Energy: 2.1103118356483654
Energy: 3.4577300059868956
Energy: 0.5011489196386543
Energy: 0.5332719512515951
Energy: 0.5002053842314121
Energy: 0.5015556247476137
Energy: 0.5151954696932586
Energy: 0.519249323388046
Energy: 0.5014478284918634
Energy: 0.48092509563299407
Energy: 0.49820364601256345
Energy: 0.489763143715642
Energy: 1.8840333851411624
Energy: 0.5015249936486037
Energy: 0.4865265216547263
Energy: 0.5383552873654811
Energy: 0.507782911782277
Energy: 0.5046170922312158
Energy: 0.5025231385872596
Energy: 0.5184401027010943
Energy: 0.5039514020334966
Energy: 0.5857307858561641
Energy: 3.429641943991805
Energy: 0.49221582495638655
Energy: 0.5044735687112935
Energy: 3.4166245111806535
Energy: 0.4925696054000939
Energy: 0.5724159947141869
Energy: 0.5216036853406887
Energy: 0.511785054380284
Energy: 0.5165809591454125
Energy: 0.5215964508553785
Energy: 3.463070034322181
Energy: 0.5317717518405103
Energy: 0.5188219315400366
Energy: 0.5085820751476658
Energy: 0.504323804668159
Energy: 0.5247477766749428
Energy: 1.9688267010674432
Energy: 0.5545924642495295
Energy: 0.5151858377017347
Energy: 0.5019953043060453
Energy: 0.5186354547895429
Energy: 0.5245860048873395
Energy: 1.9909451708782566
Energy: 0.5072780010918932
Energy: 0.5257543230222437
Energy: 0.5238572879920449
Energy: 0.5047017071193608
Energy: 0.5042140108411025
Energy: 0.5229026213978628
Energy: 0.5563897772461383
Energy: 3.371421942565234
Energy: 2.0729016387088746
Energy: 0.5192783956524231
Energy: 3.3927416320187427
Energy: 0.5002756473505614
Energy: 2.163486213131902
Energy: 0.5271778042153399
Energy: 0.5238963485456191
Energy: 2.0279417849856074
Energy: 0.5178070029401833
Energy: 0.5231441913330392
Energy: 0.5923805807074748
Energy: 2.070173794045522
Energy: 0.5035974320992433
Energy: 3.4362702214146914
Energy: 2.5348613138578884
Energy: 0.5017620409401112
Energy: 0.5763948276644465
Energy: 0.5399794526609994
Energy: 2.0020239698923947
Energy: 0.4984249453830275
Energy: 0.5090468016781219
Energy: 1.9999947030403877
Energy: 0.5329136895021184
Energy: 1.9406787794979707
Energy: 0.4999835902008793
Energy: 0.5116032407950569
Energy: 1.9015957802167898
Energy: 0.495131961310721
Energy: 0.535790573046065
Energy: 0.50199049512333
Energy: 0.4998425888118267
Energy: 0.50921031417401
Energy: 0.5018412940428304
Energy: 0.5058456628103177
Energy: 0.543555654783771
Energy: 3.4655295318641484
Energy: 3.479518998088843
Energy: 0.5356946915727838
Energy: 0.5050721681726403
Energy: 0.5296894828987788
Energy: 0.6041365362438816
Energy: 0.506340195257584
Energy: 0.5065375842597013
Energy: 0.5060067100370793
Energy: 0.5012864028171166
Energy: 0.4979855551832265
Energy: 0.5702662387905746
Energy: 0.5209843390603288
Energy: 0.5228305746675943
Energy: 0.5191390556238357
Energy: 0.5334834261624607
Energy: 0.5230035531976999
Energy: 0.5944435786650589
Energy: 1.9954060291836355
Energy: 0.48368309692314976
Energy: 0.5130576610397626
Energy: 2.021185372941245
Energy: 0.48952617819939054
Energy: 2.0479406175588144
Energy: 0.5063710248189466
Energy: 0.5053981090215671
Energy: 1.9972226569142748
Energy: 0.508094855219725
Energy: 0.5233760755396285
Energy: 3.38129391180627
Energy: 0.49862715702840066
Energy: 0.49840832249693323
Energy: 1.9506125696995675
Energy: 0.5008333302679973
Energy: 0.4997284021867686
Energy: 2.1946986994470987
Energy: 0.4999870550680285
Energy: 0.49747516306095735
Energy: 1.9051993847402513
Energy: 0.5026531343017133
Energy: 0.49797452593369035
Energy: 0.5727064987799919
Energy: 0.4987635281246687
Energy: 0.5002654631411023
Energy: 0.5206918202332318
Energy: 0.4992551779707825
Energy: 2.0864576462904814
Energy: 0.5826305213088312
Energy: 3.4215561384474977
Energy: 0.4991072080798733
Energy: 1.9795776111483039
Energy: 3.466807446620411
Energy: 0.5015839728895363
Energy: 0.5356911704957804
Energy: 0.5030567814313452
Energy: 0.5038287827902687
Energy: 0.5184301273459371
Energy: 0.5053775797644389
Energy: 0.5033424586314477
Energy: 0.4801680890368458
Energy: 0.49881755400692246
Energy: 0.4869993814186744
Energy: 0.4802498198783348
Energy: 0.501785185084156
Energy: 0.48633774165801674
Energy: 0.5357349702388268
Energy: 0.5132387789409562
Energy: 0.5018650637340532
Energy: 0.5172092643465557
Energy: 0.5132295699192112
Energy: 0.5012284602704327
Energy: 0.5842322268469514
Energy: 3.6904537544621334
Energy: 3.4352293542338592
Energy: 0.5075826167283375
Energy: 0.5032293097922119
Energy: 0.495688494086795
Energy: 0.577384412201625
Energy: 0.5166732553378929
Energy: 3.4349788900967555
Energy: 0.519716562135325
Energy: 0.5273155569908082
Energy: 3.4448411842468576
Energy: 0.5328618491204382
Energy: 0.5130648878986244
Energy: 0.5010725120044132
Energy: 0.5045171131685801
Energy: 0.5288622777360186
Energy: 1.9809645222722585
Energy: 0.5254604091124965
Energy: 0.5185911584812457
Energy: 0.5043689361493154
Energy: 0.5004699051503284
Energy: 0.5244267896953304
Energy: 0.4938971281730439
Energy: 0.5054976147245072
Energy: 0.5288476761275129
Energy: 0.5245139763522862
Energy: 0.5060181624430612
Energy: 0.5253885490594413
Energy: 0.522951333560796
Energy: 0.6515221346816449
Energy: 3.4265224720819454
Energy: 2.065166704669101
Energy: 0.6512440515395418
Energy: 3.3620757658694864
Energy: 0.6575226417003188
Energy: 0.5379433560546022
Energy: 0.5041245343076448
Energy: 0.5220390903618197
Energy: 0.5356586463849922
Energy: 0.5181330217279341
Energy: 0.5209225591929653
Energy: 3.469529800395327
Energy: 2.0384631517478717
Energy: 0.5020678351661879
Energy: 3.4696084600327435
Energy: 2.117996254511345
Energy: 0.50019691691632

minimum gb energy = 0.4801680890368458 eV
minimum distance =  2.52615340780065 Angstroms
sigma value = 67


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

Energy: 0.6823879124043912
Energy: 3.06382328183991
Energy: 0.4879273393272326
Energy: 0.4909421720060103
Energy: 3.0318019655501893
Energy: 0.4881146987561939
Energy: 3.0609407222569316
Energy: 0.5331294339203904
Energy: 0.529753472831706
Energy: 3.0372865924375665
Energy: 0.535431162668872
Energy: 2.9715527267108994
Energy: 0.5645538413460912
Energy: 0.49370878387754974
Energy: 2.8362578501228066
Energy: 0.5224549125670335
Energy: 0.491856108956992
Energy: 2.846512460491885
Energy: 0.569129684543918
Energy: 2.837845278351638
Energy: 0.5220935036435371
Energy: 0.5370974483260895
Energy: 2.828899454013362
Energy: 0.5223651206921878
Energy: 0.5662938893935762
Energy: 2.8552547113962388
Energy: 0.5304585247676615
Energy: 0.5708429569042913
Energy: 5.314438349621507
Energy: 0.5306614937591846
Energy: 0.565880433234515
Energy: 0.5065996233732148
Energy: 5.356442678616793
Energy: 0.5652003128989939
Energy: 0.5095861474305314
Energy: 2.8802874695590472
Energy: 0.6137336215595794
Energy: 0.5301080095095545
Energy: 2.961256804211897
Energy: 0.5139703390125259
Energy: 0.5349126634737881
Energy: 3.0183091920269436

minimum gb energy = 0.4879273393272326 eV
minimum distance =  0.873205015679886 Angstroms
sigma value = 3


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

Energy: 0.8114367795822965
Energy: 2.690004781273827
Energy: 0.6452630420113611
Energy: 0.648577639425392
Energy: 2.68868640204311
Energy: 2.10282048745036
Energy: 1.6766592033994736
Energy: 0.603824057926755
Energy: 0.6018898754341452
Energy: 2.291782479752805
Energy: 0.6098624710612206
Energy: 0.9691859560979067
Energy: 0.6367446352361393
Energy: 0.617584609016039
Energy: 0.6239235092621753
Energy: 0.6288341813203359
Energy: 0.6176684959055346
Energy: 0.9657940325257919
Energy: 0.5968114425955119
Energy: 0.9693587373485353
Energy: 0.9528838500931388
Energy: 0.596938269074462
Energy: 0.6205151954097862
Energy: 0.6110667323562295
Energy: 0.5995302257647837
Energy: 0.5979428177133739
Energy: 0.5936213270562275
Energy: 0.5997208864222869
Energy: 0.5990193827488941
Energy: 0.5946736578720785
Energy: 0.6156208491953916
Energy: 0.5968972259356295
Energy: 0.5952261669087017
Energy: 0.594308599233076
Energy: 0.5975026152991874
Energy: 0.5905906788087273
Energy: 1.285954143721451
Energy: 0.6252015809717163
Energy: 0.616153425434659
Energy: 1.5997717758353458
Energy: 0.6270737194997651
Energy: 0.6139907510127568
Energy: 0.7629302085887115
Energy: 1.5820614032714382
Energy: 0.6219356034914612
Energy: 0.6354064716769415
Energy: 1.8201006559159818
Energy: 1.9397315873330174
Energy: 0.5984766456376517
Energy: 0.5941933714390493
Energy: 0.6009485072583469
Energy: 0.6007583343233391
Energy: 0.5970435749420072
Energy: 0.6160859932203211
Energy: 0.6711735950410169
Energy: 0.640720348843546
Energy: 0.6435866616832848
Energy: 1.0013884643132425
Energy: 0.6336679283432786
Energy: 1.9446176899240963
Energy: 0.6265461213258484
Energy: 1.9148064044928446
Energy: 0.6158022486780752
Energy: 0.6221748650931201
Energy: 1.9566184825555217
Energy: 0.9537899167775021
Energy: 0.9778529385634913
Energy: 0.5955556365250373
Energy: 0.5921057506034909
Energy: 0.9466004286634371
Energy: 0.5941607324368859
Energy: 0.5932674067895671
Energy: 0.653475052944875
Energy: 0.5911548556433824
Energy: 0.5911118000357826
Energy: 0.5848008652376891
Energy: 0.5924543948432778
Energy: 0.5951312386888528
Energy: 0.6225860632309851
Energy: 0.5972552768691816
Energy: 0.6050217144700724
Energy: 0.5973438596979881
Energy: 0.5938459727240986
Energy: 0.6100571837594595
Energy: 0.686538665960959
Energy: 0.6337474613282622
Energy: 0.6443388414979981
Energy: 0.6028505015488099
Energy: 0.6323834562153876
Energy: 1.5857130733604836
Energy: 0.6299447653256848
Energy: 0.6041624579088295
Energy: 0.6064213048693756
Energy: 0.6300854031701875
Energy: 0.621231125928693
Energy: 0.6103640172058067
Energy: 0.7230240826267286
Energy: 0.6269134472777292
Energy: 0.6267522873536675
Energy: 1.7008945743529893
Energy: 0.6177771382611531
Energy: 1.9175946186803872
Energy: 0.615824392566386
Energy: 0.6191470347800732
Energy: 1.6366784896556024
Energy: 0.6056582937049201
Energy: 1.6133845080394404
Energy: 1.618306723127844
Energy: 2.0312016507674877
Energy: 0.9750958399297127
Energy: 0.9846373856000166
Energy: 1.988787586865388
Energy: 0.6313927539571238
Energy: 0.6411255232662266
Energy: 0.7262722035110937
Energy: 0.9966197772635693
Energy: 0.9729485804728486
Energy: 1.6253893735686973
Energy: 0.6199838342214187
Energy: 0.617298490627495
Energy: 0.6183880832345
Energy: 0.5908434727791471
Energy: 0.5890787430857537
Energy: 0.5972798001093961
Energy: 0.604180588083285
Energy: 0.5875551134494345
Energy: 0.6309937127847933
Energy: 0.5884054756713618
Energy: 0.5864415740359304
Energy: 0.5898132167445597
Energy: 0.5904293136125173
Energy: 0.5836333160758476
Energy: 0.6072503235104982
Energy: 0.592634356804707
Energy: 0.598632379536743
Energy: 0.6018020804568404
Energy: 0.5849460041469785
Energy: 0.603990341679711
Energy: 0.6183713056826464
Energy: 0.6422169991959551
Energy: 0.6414901064150591
Energy: 0.6042865331370809
Energy: 0.6328617667257904
Energy: 1.5988281453580904
Energy: 0.5993980201775937
Energy: 0.6251167353396951
Energy: 0.623265442107013
Energy: 0.6017022799217563
Energy: 0.6021698724262344
Energy: 0.6179784819166733
Energy: 0.796843389670487
Energy: 1.925969755358414
Energy: 1.9057875695709512
Energy: 1.935752896956681
Energy: 0.5755063455890704
Energy: 0.6073566619849444
Energy: 1.8913353531818227
Energy: 1.8929619725426872
Energy: 1.9117591739067514
Energy: 1.6536759479566991
Energy: 0.5747688211874802
Energy: 0.608707160738701
Energy: 0.6003999758797073
Energy: 0.6223999499861473
Energy: 0.6144434614339628
Energy: 0.5997030642326786
Energy: 0.6197374492642946
Energy: 0.6087618607796766
Energy: 0.6101651777125697
Energy: 0.6250826908533357
Energy: 0.6263261457445424
Energy: 0.6023433936590421
Energy: 0.6176619129166492
Energy: 0.9458176622748479
Energy: 0.5920309205428678
Energy: 0.6119246677830847
Energy: 0.6021887527535962
Energy: 0.5916289959181406
Energy: 0.5822070033118606
Energy: 0.5992079591912284
Energy: 0.6277468807187763
Energy: 0.6122437003581234
Energy: 0.6099767582218417
Energy: 0.6012334703580444
Energy: 0.6158867138148537
Energy: 0.605725787896052
Energy: 0.6048524095133236
Energy: 0.6195156464042108
Energy: 0.610300266740302
Energy: 0.6008237908533729
Energy: 0.6238974826226242
Energy: 0.6091480362830973
Energy: 0.7753482755362355
Energy: 1.642596464328337
Energy: 1.601897765398232
Energy: 0.6334842694023238
Energy: 1.2761692221484173
Energy: 0.6201184673840199
Energy: 0.9853671439605809
Energy: 0.5943696179694494
Energy: 1.61840526675537
Energy: 0.9885354711145972
Energy: 0.5970477413140725
Energy: 1.5932782557653957
Energy: 0.6076006187383722
Energy: 1.9458461386722894
Energy: 0.6045916267307105
Energy: 0.6047415844123062
Energy: 1.9622655383589258
Energy: 0.9552611264526252
Energy: 0.6560059537013322
Energy: 0.632423651947876
Energy: 0.6430551529061668
Energy: 0.9821369698478579
Energy: 0.6334811137790355
Energy: 1.9338662455839883
Energy: 0.6402378441291784
Energy: 0.5968426868856178
Energy: 0.600521004546678
Energy: 0.6224763735079814
Energy: 0.5957539941581441
Energy: 0.6053224075350118
Energy: 0.7021833702182289
Energy: 0.5936804039438495
Energy: 0.5968438801473208
Energy: 0.5947890441424809
Energy: 0.5958645692937128
Energy: 0.9153962882055554
Energy: 0.623480601567329
Energy: 0.5964550402644098
Energy: 0.5908994771847804
Energy: 0.6119565504042593
Energy: 0.5934971392777615
Energy: 0.5952777624404464
Energy: 0.6887953078225096
Energy: 0.6235499999911688
Energy: 0.626735707373141
Energy: 0.6015505606808517
Energy: 0.6218305895102836
Energy: 1.5967327020392834
Energy: 1.6440050043408465
Energy: 0.6266369874109395
Energy: 0.629842393799467
Energy: 1.621607448994697
Energy: 0.6293627089838483
Energy: 0.6171912551695392
Energy: 0.628495155177242
Energy: 1.9219822868057894
Energy: 1.9490720907642742
Energy: 0.5837894697963211
Energy: 0.6200293637704389
Energy: 1.633770152891538
Energy: 0.678313602489293
Energy: 0.6188706194433576
Energy: 0.6228558418490047
Energy: 1.3915002517683046
Energy: 0.6202392677900411
Energy: 0.5797522680970663
Energy: 0.6175385175396949
Energy: 0.598762884924773
Energy: 0.6042156463592171
Energy: 0.5886634029159761
Energy: 0.6221041861735481
Energy: 0.6124335995537531
Energy: 0.8204188641553378
Energy: 1.0859917993825232
Energy: 0.6451154499800915
Energy: 0.6383360244496705
Energy: 1.0725189769636283
Energy: 1.9507509733887674
Energy: 0.6058829325697418
Energy: 0.6043770627658223
Energy: 0.60574899275613
Energy: 0.9327313295664029
Energy: 0.6032531795873777
Energy: 0.6055497417042647
Energy: 0.6269233561571477
Energy: 0.578141962161297
Energy: 0.5758579955804247
Energy: 0.5836515838690473
Energy: 0.583108644007003
Energy: 0.5749412195072899
Energy: 0.6090649040554296
Energy: 0.5831745271821731
Energy: 0.5792158471293003
Energy: 0.6019435758380235
Energy: 0.5868735124858836
Energy: 0.5784867893248448
Energy: 0.6138808603200124
Energy: 0.6207502727434253
Energy: 1.6333345289064138
Energy: 0.6106051892953442
Energy: 0.6292001805933339
Energy: 1.6252254795798056
Energy: 0.6290741471612379
Energy: 0.6307811314819639
Energy: 0.6456814375504233
Energy: 0.6251254239231907
Energy: 0.6397951554400275
Energy: 1.6134135355878358
Energy: 1.6734255024140865
Energy: 0.5805187515001131
Energy: 0.9874817678295723
Energy: 1.9394294074029383
Energy: 0.5838514136962808
Energy: 0.9659922586119836

minimum gb energy = 0.5747688211874802 eV
minimum distance =  0.90254111819639 Angstroms
sigma value = 81


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

Energy: 1.2963988874196612
Energy: 1.43987723980028
Energy: 0.6665997565409695
Energy: 0.6426694176073062
Energy: 1.430014299825928
Energy: 0.6464792458990344
Energy: 0.5675108686523934
Energy: 0.5938615732945377
Energy: 0.5928049431020207
Energy: 1.1017422909989012
Energy: 0.5776220977940093
Energy: 1.0700875446776217
Energy: 0.6538122395445013
Energy: 0.5838913795360882
Energy: 0.587314921876489
Energy: 0.6288947657313578
Energy: 0.581031930772513
Energy: 1.0859884078105464
Energy: 0.5995980444127939
Energy: 0.5753959387392678
Energy: 1.061662218221627
Energy: 0.5994065203767465
Energy: 0.573696299563346
Energy: 1.0511144663563208
Energy: 0.6037182767830123
Energy: 0.5941534351106441
Energy: 0.5963530462611492
Energy: 0.5995358879557608
Energy: 0.595721722785631
Energy: 0.5952186880209115
Energy: 0.6513625640515354
Energy: 0.5966058958975352
Energy: 0.5930596552437513
Energy: 0.6349202133315687
Energy: 0.5943480804301429
Energy: 0.622348262910522
Energy: 2.9347444281852706
Energy: 0.5649437280255609
Energy: 0.5725224161084205
Energy: 2.9114537325145564
Energy: 0.5638657781143371
Energy: 0.5950610156401778
Energy: 0.7611612488820494
Energy: 2.866615906173677
Energy: 2.870498710587821
Energy: 0.6257122126861168
Energy: 0.634729484584476
Energy: 0.6378576779864257
Energy: 0.6581545356254337
Energy: 0.5809390164556902
Energy: 0.5936175594717004
Energy: 0.6030525808547031
Energy: 0.5842074212438544
Energy: 0.5908863821214992
Energy: 0.7030035862001317
Energy: 0.6194208576996575
Energy: 0.619907220868353
Energy: 0.658408773966294
Energy: 0.5880509579351204
Energy: 0.6196487493586567
Energy: 0.586511589011765
Energy: 0.5930745006962376
Energy: 0.5982009169118063
Energy: 0.5869554866944907
Energy: 0.587559904685257
Energy: 0.5969792966722377
Energy: 0.650459873761108
Energy: 0.5724136574876539
Energy: 0.5711476971184264
Energy: 0.6037904792597328
Energy: 0.5781749158377536
Energy: 1.0369798196969988
Energy: 0.6502380121492173
Energy: 1.0562598389519058
Energy: 1.0516045024209875
Energy: 0.5838687086152744
Energy: 0.5772413705532818
Energy: 0.5837406847520434
Energy: 0.6065597418847494
Energy: 0.5915831691698408
Energy: 0.59392597344079
Energy: 0.5979908748664692
Energy: 0.5896242413830869
Energy: 0.6014635186289314
Energy: 0.7192612878745561
Energy: 0.6514241787273948
Energy: 0.6529951094248694
Energy: 0.6044794909848671
Energy: 0.6527301709215567
Energy: 0.6406101736589798
Energy: 0.5988679285614651
Energy: 0.5987344994814715
Energy: 0.6002523633799813
Energy: 0.5917679610850578
Energy: 0.6070793348758574
Energy: 0.6012291422895879
Energy: 0.6861580455204479
Energy: 0.6410930333246609
Energy: 0.6399913754910148
Energy: 0.6420608958549755
Energy: 0.5945466687939431
Energy: 0.6423153524252045
Energy: 0.5907800811757808
Energy: 2.8842788962285457
Energy: 0.5953471427685821
Energy: 0.5798865872802081
Energy: 2.9494221094219926
Energy: 0.5812364249970711
Energy: 0.6913798715938647
Energy: 0.622172116500998
Energy: 0.5956291434419342
Energy: 0.5998862254309457
Energy: 0.6232878768639376
Energy: 0.5950662591275843
Energy: 0.5795999489768128
Energy: 0.5964209325859356
Energy: 0.5939450710432299
Energy: 0.594075673721163
Energy: 0.6226840569573131
Energy: 0.5963937558912511
Energy: 0.590471998248832
Energy: 0.6044417098352632
Energy: 0.5939396110392646
Energy: 0.5824764667940965
Energy: 0.6127392567188586
Energy: 0.5793826475322381
Energy: 0.6129316198503224
Energy: 0.5922912802459305
Energy: 0.5942184909915498
Energy: 0.5811331934737816
Energy: 0.5838032193663529
Energy: 0.5906671353602011
Energy: 0.5962770943921047
Energy: 0.5909812150323264
Energy: 0.5895541819452684
Energy: 0.5968690925911174
Energy: 0.6067414002219852
Energy: 0.5990943550456624
Energy: 0.6371127413618918
Energy: 0.6361047325940676
Energy: 0.6410124438701134
Energy: 0.6350344175964675
Energy: 0.6396221390517713
Energy: 0.638039694081675
Energy: 0.6380209040356246
Energy: 0.5974271742633451
Energy: 0.6010768415126764
Energy: 0.6273464089167744
Energy: 0.5880943482596245
Energy: 0.5996324041679477
Energy: 0.7586944309580144
Energy: 0.5706870948783853
Energy: 2.889243411667892
Energy: 0.6314611392112041
Energy: 0.5738082807327196
Energy: 2.9026474008845407
Energy: 0.7609564796152982
Energy: 0.5724347203539053
Energy: 2.9445686961005135
Energy: 0.5975692909928921
Energy: 0.5782991512733379
Energy: 2.8604098847112094
Energy: 0.6163621485482481
Energy: 0.5954444505308137
Energy: 0.6005105551031067
Energy: 0.6163966467651434
Energy: 0.5856010838369389
Energy: 0.5971279981405766
Energy: 0.6729072475680783
Energy: 0.6202383560586417
Energy: 0.6223357983033427
Energy: 0.6365389696770845
Energy: 0.6186125346754542
Energy: 0.6184154959275275
Energy: 0.6110337141977432
Energy: 0.58143192894312
Energy: 0.5796552725256915
Energy: 0.603523361794782
Energy: 0.5851188097459724
Energy: 0.5964852062262131
Energy: 0.6505768326550742
Energy: 1.031505725457918
Energy: 1.0291787171621858
Energy: 0.5817758756354315
Energy: 0.5783117279614681
Energy: 0.5919255460440972
Energy: 0.58411954538925
Energy: 0.5799762070240181
Energy: 0.5749791831355797
Energy: 0.5843813429711178
Energy: 0.570693977784567
Energy: 0.5735975313173525
Energy: 0.7146904076129711
Energy: 0.6227096392267722
Energy: 0.6243199546597431
Energy: 0.5990777587519087
Energy: 0.6235300548968616
Energy: 0.6243736246942363
Energy: 0.6001773298680626
Energy: 0.6179119980111677
Energy: 0.5904770294600168
Energy: 0.5966235059573075
Energy: 0.6191884471385095
Energy: 0.595487812745521
Energy: 0.6040867751327418
Energy: 2.459188495246766
Energy: 2.888267048120871
Energy: 0.5918835190812108
Energy: 0.6156266296770557
Energy: 0.5862780611114876
Energy: 0.7231364612159875
Energy: 0.5932628285929964
Energy: 0.63592098449533
Energy: 0.6969351887009926
Energy: 0.6222277998218433
Energy: 2.926002985504583
Energy: 0.6129012898194782
Energy: 0.5913584477222511
Energy: 0.5928489489998717
Energy: 1.0806724148081093
Energy: 0.5906520674895063
Energy: 1.0898851524349302
Energy: 0.6868054793301122
Energy: 1.1535417187577106
Energy: 0.6619229156841926
Energy: 0.6095460933398341
Energy: 1.1689857367006662
Energy: 0.6610843493804542

minimum gb energy = 0.5638657781143371 eV
minimum distance =  2.51689267499345 Angstroms
sigma value = 43


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

Energy: 0.5845603268189561
Energy: 2.671998049985701
Energy: 1.8739435250795924
Energy: 0.6917210386666269
Energy: 2.4383084045246206
Energy: 0.678452948707797
Energy: 2.312962534290648
Energy: 0.5871789399100522
Energy: 0.5887738139027753
Energy: 1.7480156570487868
Energy: 0.589457626825109
Energy: 1.181989799587383
Energy: 0.6763483827573062
Energy: 1.7113921057257342
Energy: 0.6205853624225964
Energy: 0.672478739636949
Energy: 1.7167801849435689
Energy: 1.180849191695718
Energy: 0.5832302360464382
Energy: 0.5669335992919393
Energy: 1.1598479943034434
Energy: 0.5832662002344222
Energy: 0.5661403520633509
Energy: 1.1321772812987978
Energy: 0.5883657040207422
Energy: 0.5743677313935172
Energy: 0.5731934175960167
Energy: 0.5803723521500411
Energy: 0.5716882707577008
Energy: 0.5758129356666588
Energy: 0.5874447069939283
Energy: 0.5731081232547262
Energy: 0.5722117919210211
Energy: 0.5701752683874087
Energy: 0.5764680126367611
Energy: 0.5712512825933679
Energy: 0.5788060595935852
Energy: 0.5821905116559308
Energy: 0.5799405116473069
Energy: 0.5791334078262841
Energy: 0.5795714629029923
Energy: 0.5820753004136704
Energy: 0.605529920049267
Energy: 0.581553187402835
Energy: 1.7240070128420208
Energy: 0.6164320557756049
Energy: 0.581176536976942
Energy: 1.724927911990492
Energy: 0.5744263822720846
Energy: 0.6040453922187371
Energy: 0.5795352202516891
Energy: 0.5844640331609686
Energy: 0.6021275038299173
Energy: 0.5841783434818122
Energy: 0.5784872455506178
Energy: 1.3149641422710734
Energy: 1.1978277377846311
Energy: 1.7345860752820947
Energy: 1.7920927168824903
Energy: 0.6138899988816614
Energy: 0.5672604820579737
Energy: 1.7292261062326055
Energy: 1.1985126604090228
Energy: 0.5903804285448497
Energy: 0.5940453042996737
Energy: 1.7271679380970053
Energy: 0.5785850934405101
Energy: 1.1962461662922286
Energy: 1.186032478887758
Energy: 1.8430741822320442
Energy: 0.610897780465055
Energy: 2.2438106127003374
Energy: 0.578409256534909
Energy: 1.1962532437201556
Energy: 1.759829236633849
Energy: 0.5652606342174802
Energy: 1.2036237254562763
Energy: 1.7517593354077083
Energy: 0.5694094718584808
Energy: 0.6066184745247561
Energy: 0.5916221584000998
Energy: 0.5866774387855247
Energy: 0.583018366940191
Energy: 0.5894369515544851
Energy: 0.5658228962319113
Energy: 1.138139107447214
Energy: 1.109325868092562
Energy: 0.5882115101252362
Energy: 0.569612043820569
Energy: 0.5894569918893159
Energy: 0.5625442566505529
Energy: 0.5805117305234551
Energy: 0.5756375608737269
Energy: 0.5644045971018357
Energy: 0.5796944577361429
Energy: 0.5660973676376289
Energy: 0.5866866744318106
Energy: 1.6768664227214605
Energy: 1.7015051601258075
Energy: 0.5787676381930872
Energy: 0.5871037446760741
Energy: 0.613928321024591
Energy: 0.5650077868824172
Energy: 0.5843805845758362
Energy: 0.584554199840488
Energy: 0.6129061312807575
Energy: 0.5898725802422765
Energy: 0.585577636285241
Energy: 0.5701583526787483
Energy: 1.7384445584445027
Energy: 1.738363490559649
Energy: 0.5786812186236603
Energy: 0.5834583790145033
Energy: 1.154248727168591
Energy: 0.569599308276386
Energy: 1.7546168075852173
Energy: 2.317167899799189
Energy: 0.5801602840126229
Energy: 1.7533675724427888
Energy: 1.7409995269272924
Energy: 0.5659569117791774
Energy: 1.1971323680540056
Energy: 1.1893960410637903
Energy: 0.5814060120440716
Energy: 1.731590610887687
Energy: 1.181980005020925
Energy: 0.6139877999642839
Energy: 1.7776182660929336
Energy: 1.8193196327475052
Energy: 1.2121912677891358
Energy: 0.626249014059003
Energy: 0.6541936637503694
Energy: 0.6101269263646361
Energy: 0.5857242347954803
Energy: 0.5880506638357991
Energy: 0.5844016211068873
Energy: 1.1790966244490924
Energy: 0.6254679342975221
Energy: 0.6330932604247148
Energy: 0.6170412938110187
Energy: 1.1659142387246533
Energy: 0.598288824946821
Energy: 0.631878684771245
Energy: 1.1479145106274546
Energy: 1.245126734105873
Energy: 0.5655322970866365
Energy: 0.5714518049518694
Energy: 1.157492862423863
Energy: 0.5644944265422391
Energy: 0.5739724379620593
Energy: 0.6180392107258322
Energy: 0.5792983837437656
Energy: 0.5870932208956914
Energy: 0.5863710027224244
Energy: 0.5708098148509694
Energy: 0.5873431369325456
Energy: 0.6178223220191452
Energy: 0.5851261501248471
Energy: 0.5844869534654382
Energy: 0.5883121755257451
Energy: 0.5881973832523959
Energy: 0.586962854160923
Energy: 0.6108687074784843
Energy: 1.705967681499229
Energy: 1.1442979979975556
Energy: 0.5801687971184537
Energy: 1.7084149355998424
Energy: 0.5835490852416664
Energy: 0.6786534678110743
Energy: 1.737423554126714
Energy: 1.7105906232531898
Energy: 0.5808290391068133
Energy: 0.6154316239055886
Energy: 0.6100026686248897
Energy: 1.2099388237536108
Energy: 0.58830405595596
Energy: 0.5958666554204208
Energy: 1.1855594443791366
Energy: 0.5878297794588189
Energy: 0.6085404522737815
Energy: 0.569047630746378
Energy: 2.2813818819536436
Energy: 1.7518713579726126
Energy: 0.5961139309587556
Energy: 2.346921559729777
Energy: 1.7662194246519518

minimum gb energy = 0.5625442566505529 eV
minimum distance =  0.910403392937632 Angstroms
sigma value = 57


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

Energy: 0.7388310694961641
Energy: 2.2274679505569814
Energy: 0.627546716130543
Energy: 0.5761233305015582
Energy: 2.2315079243414826
Energy: 0.6862774845554589
Energy: 2.069502535369905
Energy: 0.5958497376399546
Energy: 2.0599071394032165
Energy: 2.04162601960083
Energy: 0.5681845588201588
Energy: 2.0622899167909052
Energy: 0.6870678100167215
Energy: 0.5841495140030001
Energy: 0.5801575369594458
Energy: 0.599101488256489
Energy: 0.5784527397724485
Energy: 0.578848597359092
Energy: 0.5663597058257331
Energy: 0.5766685719657171
Energy: 0.5771676655479393
Energy: 0.5677047760594548
Energy: 0.575859438297377
Energy: 1.955638522092716
Energy: 0.5681218167470135
Energy: 0.5792286756255086
Energy: 0.5783578201233546
Energy: 0.5636213282695428
Energy: 0.5783747769103319
Energy: 0.5574548482454375
Energy: 0.5220597549462781
Energy: 0.5838680985254128
Energy: 0.5797599090434483
Energy: 1.9626632076096842
Energy: 0.5624591294379134
Energy: 0.5789310412183634
Energy: 0.5663427423482621
Energy: 0.5708617625005359
Energy: 0.5652323727997045
Energy: 0.555210156849891
Energy: 0.5636407992409865
Energy: 0.5624390590165549
Energy: 0.572016684430199
Energy: 0.6032356198751736
Energy: 0.6675147456455345
Energy: 0.5776344349239635
Energy: 0.6033781091199079
Energy: 0.6018312492603045
Energy: 0.565659246411776
Energy: 0.5914853823548402
Energy: 0.5944401105094308
Energy: 0.5657965597912687
Energy: 0.594906936925187
Energy: 0.5750034377096251
Energy: 0.5778391539240411
Energy: 0.6022843450386837
Energy: 0.6000607221937544
Energy: 0.5989185462995841
Energy: 0.5860179015374813
Energy: 0.6005799930060254
Energy: 0.6176029879616933
Energy: 0.5802497780644517
Energy: 3.4296493205297414
Energy: 0.5710127626167312
Energy: 0.5800198213160669
Energy: 3.465978534755963
Energy: 0.5192902560641012
Energy: 2.0412167081713863
Energy: 2.102700621252344
Energy: 0.5206054082449021
Energy: 2.078160381258659
Energy: 0.6028617906103979
Energy: 3.5101504637651675
Energy: 2.153112778611849
Energy: 0.6083021152853615
Energy: 3.394882080707293
Energy: 2.087773781946399
Energy: 0.6050422262585436
Energy: 0.6219462678943477
Energy: 1.9709051626113678
Energy: 1.954856751285917
Energy: 0.5684630477895329
Energy: 2.055349978199914
Energy: 0.5958280547824439
Energy: 0.5741332260030766
Energy: 0.5754004664621892
Energy: 0.5786214408423591
Energy: 1.9939312480970082
Energy: 0.5773267885846752
Energy: 0.5749892991101461
Energy: 0.5610937196163773
Energy: 1.9640414422671901
Energy: 0.5625923234936716
Energy: 0.5618050861495323
Energy: 1.9859151649283946
Energy: 0.560916019025901
Energy: 1.9903698113932886
Energy: 0.5815166162566046
Energy: 0.578614195910869
Energy: 1.9701915818021491
Energy: 0.5807946693236293
Energy: 0.5775152338901298
Energy: 1.9598623365660852
Energy: 0.5551508163694552
Energy: 0.5558249205596887
Energy: 1.9612800735991889
Energy: 0.5632145789980917
Energy: 0.576090477373328
Energy: 3.421907668811214
Energy: 0.5645470939916256
Energy: 0.5713071286143926
Energy: 3.401440780826581
Energy: 0.565524293624747
Energy: 0.6044757978290323
Energy: 3.419985628764195
Energy: 0.597782983922192
Energy: 0.59985899596007
Energy: 3.394228172249864
Energy: 0.5968691454054015
Energy: 0.6013033405431648
Energy: 0.5714666288383237
Energy: 3.4530785714032137
Energy: 1.957612280031676
Energy: 0.5691550817315846
Energy: 3.482795560874653
Energy: 0.577548930330921
Energy: 0.6650225391238153
Energy: 0.6038883211615238
Energy: 0.6019397517483257
Energy: 3.4589652332908396
Energy: 0.6022598473596165
Energy: 0.6024409800015463
Energy: 0.6210799224238239
Energy: 2.08538694098424
Energy: 0.5991394119297611
Energy: 0.567264716030491
Energy: 2.064014467247717
Energy: 0.595201066278814
Energy: 3.49977386478175
Energy: 2.0886182426295394
Energy: 0.6103462649543807
Energy: 3.3937423383976393
Energy: 2.080113946030499
Energy: 0.6053930370516322

minimum gb energy = 0.5192902560641012 eV
minimum distance =  2.5206594707447 Angstroms
sigma value = 17


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

Energy: 0.9006471533447281
Energy: 3.7240745883212174
Energy: 2.5857796715799313
Energy: 0.6151460511097684
Energy: 1.8219637346030877
Energy: 0.6318844792116027
Energy: 2.639254172574184
Energy: 0.6364133238331
Energy: 1.6769976330206715
Energy: 2.6658682392955337
Energy: 0.6331428246540045
Energy: 1.6560265850231692
Energy: 0.5942924007721494
Energy: 0.5316173140979505
Energy: 0.534221791016452
Energy: 1.5294661519406425
Energy: 0.5324088084184818
Energy: 0.5349351801502776
Energy: 0.5967337827933609
Energy: 0.532884641229704
Energy: 0.5329962922756991
Energy: 0.5980230465865074
Energy: 0.5461182551549437
Energy: 1.5418532660493471
Energy: 1.5835503918437535
Energy: 0.5470803128207693
Energy: 0.5460812665538691
Energy: 1.5801545067132072
Energy: 0.5457899519032121
Energy: 0.5458640733671216
Energy: 0.5377691750013495
Energy: 1.5539585613688096
Energy: 1.5648086011166489
Energy: 0.552121349362922
Energy: 0.5156868498357101
Energy: 0.5551669068812464
Energy: 0.520896743070554
Energy: 0.5150649816296872
Energy: 0.5141828334730218
Energy: 0.5142613815758418
Energy: 0.5149082536579658
Energy: 0.5265523061126188
Energy: 0.516810983371723
Energy: 0.558108513272678
Energy: 0.5540938422812054
Energy: 0.5549542118061502
Energy: 1.5292346588381593
Energy: 0.5537106450384616
Energy: 0.5136538864247452
Energy: 0.55232777006754
Energy: 0.5281866889718877
Energy: 0.5146968301277356
Energy: 0.5563041556794605
Energy: 0.5261148159870479
Energy: 0.5156814689635179
Energy: 0.586261525850918
Energy: 0.5845946255134938
Energy: 0.5156033695900536
Energy: 2.521815171047975
Energy: 0.547088060605669
Energy: 0.5202813306303684
Energy: 0.5454276515763662
Energy: 0.5475231131335215
Energy: 0.5467219604431955
Energy: 0.5196932013749398
Energy: 0.5473455663735953
Energy: 0.5211383513268729
Energy: 0.5937331073352957
Energy: 0.5934773200731824
Energy: 0.5308894098351914
Energy: 0.5972091236680044
Energy: 2.557160139420431
Energy: 0.5201278767534356
Energy: 0.6427806006465674
Energy: 2.5098469731252315
Energy: 0.5447209123294567
Energy: 0.6407496763978621
Energy: 2.53853877263364
Energy: 0.6030243139644992
Energy: 2.675292496323629
Energy: 0.5509974358583877
Energy: 0.5168610831804383
Energy: 2.6773967598906117
Energy: 0.5508239417457249
Energy: 0.618562959589042
Energy: 2.6296955055547597
Energy: 0.6328124895242304
Energy: 2.66079299219502
Energy: 2.692727396891671
Energy: 0.6385889464864247
Energy: 0.5733367622633653
Energy: 2.689793273598685
Energy: 1.5463341077290516
Energy: 0.638531551152235
Energy: 2.7265905270289426
Energy: 1.5833135674502137
Energy: 0.4938604087936488
Energy: 1.6736946336676124
Energy: 2.52261756646803
Energy: 0.5453252105520289
Energy: 1.672314330180642
Energy: 2.6049950292986694

minimum gb energy = 0.4938604087936488 eV
minimum distance =  0.864108965281833 Angstroms
sigma value = 17


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

Energy: 2.3201392586044434
Energy: 3.0048695021765592
Energy: 0.639016690930665
Energy: 2.166203916158385
Energy: 3.001072768574142
Energy: 0.6457714054180407
Energy: 2.111564288291318
Energy: 0.5277687372628139
Energy: 1.4850309124800383
Energy: 3.0655405404111074
Energy: 0.527383851984089
Energy: 2.1226887840921136
Energy: 0.7037970167424874
Energy: 0.5569680397461618
Energy: 2.0625867060985117
Energy: 1.4066198649046715
Energy: 0.5530071810397729
Energy: 1.351653914230069
Energy: 0.6082839943951646
Energy: 2.050928201177074
Energy: 2.054308798585997
Energy: 0.608615699540955
Energy: 2.0860444251812593
Energy: 0.5468110260041485
Energy: 1.36956119919156
Energy: 0.5503521990714203
Energy: 0.5514579725804307
Energy: 1.3035689400313437
Energy: 0.5492951200705225
Energy: 1.3121864135662893
Energy: 2.2013616835047523
Energy: 1.3227421169283855
Energy: 0.5561709987723424
Energy: 2.07760784528425
Energy: 1.2918198411984816
Energy: 0.5572002864593987
Energy: 0.4814620623551748
Energy: 0.5188103256599553
Energy: 0.5172860486959155
Energy: 0.5037401314687953
Energy: 0.5156206241808555
Energy: 0.5409773841749088
Energy: 0.480106474721833
Energy: 0.524114420252045
Energy: 1.3067958735084428
Energy: 0.5410149635873033
Energy: 0.525460667680299
Energy: 1.2756600361144523
Energy: 0.47570513537975906
Energy: 1.2710943355431066
Energy: 0.4775266322442794
Energy: 0.4767748199399019
Energy: 1.3723424193198015
Energy: 0.47739604915292144
Energy: 0.4881524572074633
Energy: 0.5229962842004909
Energy: 0.5217215019320999
Energy: 0.47826870410256606
Energy: 0.5270227774696201
Energy: 0.5210486158802244
Energy: 1.2972273076005683
Energy: 0.47760381846606437
Energy: 0.521898251287606
Energy: 1.2722834749706393
Energy: 0.4789580493986335
Energy: 0.5207774877184087
Energy: 0.4772475735029091
Energy: 0.4830056828637692
Energy: 0.47863808789510476
Energy: 0.48322652352505224
Energy: 0.4789884834943228
Energy: 0.4791115373699378
Energy: 0.4852940785830287
Energy: 0.5352615408748507
Energy: 0.5351473238181758
Energy: 0.53922277385678
Energy: 0.5376204653082599
Energy: 0.5360734879940503
Energy: 0.5129417491016444
Energy: 0.5347310660382569
Energy: 0.5428295903869335
Energy: 0.5137503175191039
Energy: 0.5405937328093607
Energy: 0.5180552285983083
Energy: 0.5208709548482205
Energy: 0.5489872478640326
Energy: 0.5422103430842964
Energy: 0.5176853130957466
Energy: 0.548979034283881
Energy: 2.056112714302435
Energy: 0.5230061861103099
Energy: 0.5450595850883728
Energy: 0.5462368662345067
Energy: 0.5494263080307488
Energy: 0.5222675361302096
Energy: 0.5526567260516921
Energy: 0.47544725482512146
Energy: 2.084164139664806
Energy: 2.107112181574306
Energy: 0.47665233565013065
Energy: 0.6093237194813866
Energy: 0.5177633063560693
Energy: 0.47593241313153906
Energy: 2.0949559328437846
Energy: 2.1375088589588422
Energy: 0.47769134107686595
Energy: 0.6061464433130852
Energy: 0.5531713929956493
Energy: 0.5215627124073335
Energy: 2.25981694593922
Energy: 2.1807699935247995
Energy: 0.5688022487080948
Energy: 0.5193938148427235
Energy: 2.150938054175631
Energy: 0.7260091811155639
Energy: 0.5953125493562889
Energy: 0.5970906101843163
Energy: 2.212764105227305
Energy: 0.5945301477152746
Energy: 2.149344847968671
Energy: 0.5649513135570988
Energy: 2.2492422167264126
Energy: 1.3676713319089817
Energy: 0.6010006539621937
Energy: 2.246077589100087
Energy: 1.3827588707375718
Energy: 1.2550236365745528
Energy: 2.1671178530033246
Energy: 2.1324008834608725
Energy: 0.5298517016062974
Energy: 2.186707286120937
Energy: 0.5888012502853811
Energy: 0.48708154623530653
Energy: 2.168665437978253
Energy: 2.88784453595416
Energy: 0.48774031136475066
Energy: 1.4427784396964511
Energy: 2.125301300072319
Energy: 0.6558575942534017
Energy: 0.5568748912985609
Energy: 1.4205290914217938
Energy: 0.5980933525427455
Energy: 2.1144444974964727
Energy: 1.385364313789307
Energy: 0.6190182895591658
Energy: 0.5600750640416896
Energy: 2.13046872428842
Energy: 1.3701890985897618
Energy: 0.5540952864348179
Energy: 2.100437828458369
Energy: 0.5253075826803034
Energy: 0.5534051525843348
Energy: 0.5552220043021926
Energy: 0.523213394229499
Energy: 1.3693337926804758
Energy: 0.5589104982840756
Energy: 2.0184021465550055
Energy: 1.3053088166150038
Energy: 1.3217442200151217
Energy: 2.064654151145647
Energy: 1.328917772851419
Energy: 0.5552993183979258
Energy: 0.47117642532520865
Energy: 0.520038221861255
Energy: 0.5186333190359224
Energy: 0.4713677482714647
Energy: 0.5162718940773946
Energy: 1.2777941225933054
Energy: 0.5777406095155784
Energy: 1.3231729104870167
Energy: 1.2886889038506142
Energy: 0.5063031072547365
Energy: 0.48351796693039495
Energy: 0.533749315092978
Energy: 0.4847366809277851
Energy: 0.5231712376923879
Energy: 1.3010243047259764
Energy: 0.4849837230239743
Energy: 0.5298794211806384
Energy: 1.2634449413021274
Energy: 0.4796578736528729
Energy: 0.5233904987516993
Energy: 0.518181279470161
Energy: 0.4794920692054105
Energy: 0.5281405717006797
Energy: 0.5006320736857127
Energy: 1.368942091192377
Energy: 0.5268631585469554
Energy: 0.5232314991022008
Energy: 1.282511535825283
Energy: 0.5287227019991791
Energy: 0.5219420251571987
Energy: 0.5107199122718661
Energy: 0.47947625798297006
Energy: 0.4773135716385247
Energy: 0.5109325175299273
Energy: 0.47531044559967445
Energy: 0.4778437809628258
Energy: 2.16608942938321
Energy: 0.5433857558201988
Energy: 0.5418174034782517
Energy: 2.039754861738866
Energy: 0.5464950128319727
Energy: 0.5441130690570177
Energy: 0.5172423282797648
Energy: 0.5359684664200888
Energy: 0.5352509620369154
Energy: 0.518183366576023
Energy: 0.539764765893556
Energy: 0.5376300587628282
Energy: 0.5242419870146783
Energy: 0.5405735464497949
Energy: 2.0807810942115363
Energy: 0.5236158179758665
Energy: 0.536635706866618
Energy: 2.018327993553277
Energy: 0.6098231119172077
Energy: 2.0510800118795536
Energy: 2.039644753716605
Energy: 0.5181346238181883
Energy: 2.126855679019424
Energy: 0.5706712502266674
Energy: 0.4810368770937876
Energy: 0.606521360988948
Energy: 0.5507047345623769
Energy: 2.148219307773816
Energy: 0.6037262511003769
Energy: 2.0805863648815253
Energy: 1.2529974227580838
Energy: 2.1165189464868615
Energy: 0.5884762213418487
Energy: 1.3668090047843608
Energy: 2.159323794188552
Energy: 0.5900184238592047
Energy: 2.088760385306976
Energy: 0.5882335953421327
Energy: 0.586155068409461
Energy: 2.132917927533294
Energy: 0.5962195259492585
Energy: 0.5607851758330714
Energy: 0.6795672570640018
Energy: 0.5899578268152625
Energy: 2.208657041045326
Energy: 2.1785324381708646
Energy: 0.5559430186183861
Energy: 2.166553806872118
Energy: 0.6546326877382707
Energy: 1.324360220667185
Energy: 0.5614999647509368
Energy: 0.6360817469196454
Energy: 2.151285141875364
Energy: 2.160784281710702
Energy: 0.4879545451398975
Energy: 1.4754762712936604
Energy: 2.945778007282191
Energy: 0.4888750437324974
Energy: 1.4394496032364619
Energy: 2.1163212150866655

minimum gb energy = 0.47117642532520865 eV
minimum distance =  0.873624330692988 Angstroms
sigma value = 57


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

Energy: 0.4521566702751606
Energy: 2.5943872429938217
Energy: 0.6356306181225462
Energy: 0.5694278147082477
Energy: 2.5748571255121897
Energy: 1.8307794761287595
Energy: 2.5265255378648135
Energy: 0.5482503545261952
Energy: 1.2479354812608072
Energy: 2.500807960286388
Energy: 0.5474982791303385
Energy: 1.300652480621084
Energy: 0.6358755148253538
Energy: 0.5533107750140647
Energy: 0.5433731674722408
Energy: 1.2142286541784542
Energy: 0.5474218457797034
Energy: 1.8065590845169797
Energy: 0.584006973423711
Energy: 0.525263648418372
Energy: 1.8035694600299037
Energy: 1.2111136714523507
Energy: 0.514082107322489
Energy: 1.743378672625401
Energy: 0.5102042818008391
Energy: 0.5200124135844492
Energy: 1.2007068574389355
Energy: 0.5101771139198786
Energy: 0.5164198367547024
Energy: 1.2105995351826935
Energy: 0.44228175379539697
Energy: 1.2268083178958624
Energy: 0.5491752824803777
Energy: 0.5225300350789289
Energy: 1.2041356792907942
Energy: 1.7506743669633578
Energy: 1.1365600220905723
Energy: 0.5180075751120427
Energy: 0.5221273860258902
Energy: 0.5370922146939916
Energy: 0.5152119842049131
Energy: 0.537336346341998
Energy: 0.5050409879501258
Energy: 0.5146213245016767
Energy: 0.5132705711680363
Energy: 0.5106824003295541
Energy: 0.5168398590161085
Energy: 1.1290029627053735
Energy: 0.4728360331328088
Energy: 1.1425396212645325
Energy: 1.1553304689722377
Energy: 0.4729053195465332
Energy: 0.47222595920821064
Energy: 0.47948060733983355
Energy: 0.48434328437367685
Energy: 0.5028680656700114
Energy: 0.5029785770605091
Energy: 0.4797525183652483
Energy: 0.5064961580385838
Energy: 0.5039350211773642
Energy: 0.4855722068400977
Energy: 0.4616075045028175
Energy: 0.46200182480198015
Energy: 0.4994571688559672
Energy: 0.46005100389095305
Energy: 1.1022397739628147
Energy: 0.5168534208304602
Energy: 0.45376402277581374
Energy: 0.45887897124338484
Energy: 0.4874185785456516
Energy: 0.45093044602044347
Energy: 0.47891964482545313
Energy: 0.495618077051938
Energy: 0.4946676502358741
Energy: 0.49175961126435214
Energy: 0.5090730801798111
Energy: 0.496680310108032
Energy: 0.49211519186830877
Energy: 0.4471529645398947
Energy: 0.4961851095961719
Energy: 0.45209172670253445
Energy: 0.4484161966419853
Energy: 0.45768851078304673
Energy: 0.45758365296711595
Energy: 0.4701595880202529
Energy: 0.5131764880789147
Energy: 0.5097887516797112
Energy: 0.46544556489199956
Energy: 1.721703089785096
Energy: 0.5106286711044244
Energy: 0.5093624148044487
Energy: 0.47771062668131925
Energy: 0.5090301939279527
Energy: 0.5068548314551413
Energy: 0.47454001773328736
Energy: 0.5034358474037468
Energy: 0.4487753576956995
Energy: 0.4794269944914327
Energy: 0.47432085908025917
Energy: 0.5097097488196594
Energy: 0.4764876244982432
Energy: 0.47882579983711654
Energy: 1.7110624703482458
Energy: 0.5007089524521807
Energy: 0.5267556875507672
Energy: 1.7761573547107192
Energy: 0.48078276377484536
Energy: 0.5304928157823292
Energy: 0.5138862975631178
Energy: 0.5357239621942103
Energy: 0.5277394169348596
Energy: 0.5158242696650885
Energy: 1.7893252014569012
Energy: 0.5259469076826896
Energy: 0.5340024301820173
Energy: 0.5394027413840227
Energy: 0.5354082942269656
Energy: 0.6028201531455268
Energy: 1.778351959352137
Energy: 1.7844073282360347
Energy: 0.5906906838247448
Energy: 0.5510467177176894
Energy: 0.5404239645862904
Energy: 0.5466456177752326
Energy: 0.542734242152348
Energy: 0.5369157029411513
Energy: 0.44836219630704804
Energy: 1.7784830697294363
Energy: 0.5224016119096667
Energy: 0.53862270655393
Energy: 1.8029819046571054
Energy: 1.8022393683833409
Energy: 0.4742314529841276
Energy: 1.8017141175564146
Energy: 1.7837917910218142
Energy: 1.1921919918773478
Energy: 0.5850077650288467
Energy: 1.788905332795286
Energy: 0.599226006969539
Energy: 1.225796126081804
Energy: 3.159064194681662
Energy: 0.5500413441178114
Energy: 0.526223162410647
Energy: 1.8584336541772182
Energy: 0.7057451886579066
Energy: 0.5806189834643138
Energy: 0.5635988615554887
Energy: 1.9378348104255876
Energy: 0.5719216185398271
Energy: 1.8138845567025403
Energy: 2.531484770340755
Energy: 0.5769704526859205
Energy: 0.584551618393493
Energy: 2.4946733693352834
Energy: 1.890786247142973
Energy: 0.5578517626530802
Energy: 0.4519979112356406
Energy: 2.4584681632462204
Energy: 0.5899851424628918
Energy: 0.5582796967258195
Energy: 2.4673353303073795
Energy: 1.7872661291718261

minimum gb energy = 0.44228175379539697 eV
minimum distance =  0.879847196301896 Angstroms
sigma value = 43


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

Energy: 0.4096706134214384
Energy: 2.917201133005136
Energy: 1.537290724109853
Energy: 0.49788540365732337
Energy: 1.995938348271012
Energy: 0.5319070241257393
Energy: 1.4972127528422707
Energy: 0.5054165665026618
Energy: 1.4321679494795598
Energy: 2.834240281643812
Energy: 0.4898432190041965
Energy: 1.9050851206587287
Energy: 0.6179508241939718
Energy: 0.4684087121656734
Energy: 1.3791357015735695
Energy: 0.48870818541353717
Energy: 0.4764736287385876
Energy: 1.3939271861274871
Energy: 0.5396943061245544
Energy: 1.3883794506612013
Energy: 1.3955596704375322
Energy: 1.0130115809910292
Energy: 0.4674250319090407
Energy: 1.3872054772891125
Energy: 1.4551242762555034
Energy: 0.9525679579435062
Energy: 0.9442710561991665
Energy: 1.4307430027161867
Energy: 0.4829688191925882
Energy: 1.4138763918405117
Energy: 0.39616595981138936
Energy: 1.9201981595631534
Energy: 1.426798519918325
Energy: 0.46030321687248654
Energy: 0.9728468026773445
Energy: 0.47458154436880245
Energy: 0.9229477209962136
Energy: 0.4852828792095429
Energy: 0.4841443816305904
Energy: 0.9579858075715008
Energy: 0.48184500651184997
Energy: 0.47692616806307925
Energy: 0.5456451602995082
Energy: 0.45546831003277655
Energy: 0.9158672016013623
Energy: 0.4517983405545368
Energy: 0.4462328544011472
Energy: 1.3679349464390174
Energy: 0.44350211349649693
Energy: 1.373454271238627
Energy: 1.4284970397423977
Energy: 0.4440506544119048
Energy: 0.4062575033451972
Energy: 0.9167167561611285
Energy: 0.8858997004465331
Energy: 0.4618638939337117
Energy: 0.4628766985382744
Energy: 0.9581337921790298
Energy: 0.4630056865072594
Energy: 0.9610127325114
Energy: 0.39175804291770017
Energy: 0.8797302129836008
Energy: 0.9033237982179727
Energy: 0.4395009047708684
Energy: 0.41742173678699157
Energy: 0.4493379705854035
Energy: 0.42933999292885966
Energy: 0.417555424384586
Energy: 0.41631514419444426
Energy: 0.4472098822313527
Energy: 0.4187134788812631
Energy: 0.456699848028584
Energy: 0.40899427198207794
Energy: 0.4465200345631355
Energy: 0.9337364320859495
Energy: 0.44689245702201474
Energy: 0.443179120786523
Energy: 0.9160103618804721
Energy: 0.3997950702213453
Energy: 0.4042205621014231
Energy: 0.4021271057901524
Energy: 0.40084763811735485
Energy: 0.9388306153433513
Energy: 0.40189977376827196
Energy: 0.40793151109722253
Energy: 0.4394959106634276
Energy: 0.43796731801366495
Energy: 0.4043710809497891
Energy: 0.442001151508089
Energy: 0.4434948309222638
Energy: 0.3951074384673385
Energy: 0.39580993291740557
Energy: 0.39812862890869927
Energy: 0.9446693735479625
Energy: 0.39595618587897796
Energy: 0.43681360951222403
Energy: 0.4013579797521978
Energy: 0.3951462920475712
Energy: 0.39666694544815573
Energy: 0.43347757167108253
Energy: 0.4007115785883618
Energy: 0.43423113560905213
Energy: 0.4004434361711996
Energy: 0.43654162118911144
Energy: 0.43402538308709876
Energy: 0.3969305894452158
Energy: 0.4374558811194908
Energy: 0.43480312852369885
Energy: 0.39255258631823203
Energy: 0.3974740831214537
Energy: 0.39534862382618824
Energy: 0.39334132696374197
Energy: 0.42675649856505504
Energy: 0.3947832400739333
Energy: 0.399381765923284
Energy: 0.4418047467381426
Energy: 0.4388781346523783
Energy: 0.3978994469082623
Energy: 0.4429870013987041
Energy: 0.4379936186436859
Energy: 0.41566011738563335
Energy: 0.40183502521555065
Energy: 0.42480667004359196
Energy: 0.4414065292256291
Energy: 0.40629405328119955
Energy: 0.43931392006832787
Energy: 0.39586873390520505
Energy: 0.40282310463358845
Energy: 0.404611536593051
Energy: 1.3952895974371813
Energy: 0.4036252641492736
Energy: 0.44245021637374726
Energy: 0.42338522556674496
Energy: 0.44615939203881216
Energy: 0.4483274278053792
Energy: 0.42294129254808654
Energy: 0.44407977839950746
Energy: 0.4511722244499524
Energy: 0.41466399101016077
Energy: 0.4209542073790819
Energy: 0.41655177418263895
Energy: 0.41587993156004394
Energy: 0.9345775819268853
Energy: 0.41701901439071243
Energy: 0.42335854489997493
Energy: 0.451687336883115
Energy: 1.354419449646554
Energy: 0.4570603875810952
Energy: 0.4459114831274057
Energy: 1.34179433402064
Energy: 0.513697656800498
Energy: 0.4465602629885236
Energy: 0.4407064631307912
Energy: 0.46828305835172274
Energy: 0.4426481889237881
Energy: 0.4673013567734298
Energy: 0.3937230984649031
Energy: 1.370086993851004
Energy: 1.3759250237777332
Energy: 0.4465349798237542
Energy: 0.4435459353663073
Energy: 0.464350296963879
Energy: 0.8791550059738904
Energy: 0.4643107476559052
Energy: 0.46443058825855493
Energy: 1.4504652530937197
Energy: 0.46249180725060923
Energy: 1.3660787437755817
Energy: 0.48455861339535045
Energy: 0.9417924296488479
Energy: 2.3435167884698185
Energy: 0.48480573161204377
Energy: 0.9238800174628806
Energy: 1.3950683293297332
Energy: 0.5778198822686206
Energy: 0.46181032237005654
Energy: 1.421232545798423
Energy: 0.4884855180263857
Energy: 0.45362002645236926
Energy: 1.3837173878441515
Energy: 1.0356615403270513
Energy: 0.508404569564957
Energy: 0.5087938705441923
Energy: 1.4713133487328567
Energy: 0.5058756672760756
Energy: 0.4925726745317285
Energy: 0.4022104582290242
Energy: 2.395569559981403
Energy: 1.4679394538708133
Energy: 0.47228021249812707
Energy: 1.451696198240975
Energy: 0.49334914929426815
Energy: 0.4507236478314825
Energy: 1.4209929816290765
Energy: 1.4092128862263187
Energy: 1.0083604083043005
Energy: 0.5296853100780085
Energy: 2.3569565276911666
Energy: 0.5825151871073361
Energy: 1.4358495789319108
Energy: 1.390743968596876
Energy: 1.4957544669388785
Energy: 0.49722409482205354
Energy: 1.4407477251589436
Energy: 0.6193880766400887
Energy: 0.46483917660006285
Energy: 1.3873675804989314
Energy: 1.4460920450218675
Energy: 0.4764756166269672
Energy: 0.9674369921457722
Energy: 1.499946850371961
Energy: 0.5276666240087781
Energy: 1.4714388783598005
Energy: 2.9081669034468303
Energy: 0.5243899634256735
Energy: 1.9169426396611116

minimum gb energy = 0.39175804291770017 eV
minimum distance =  0.881779926156691 Angstroms
sigma value = 81


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

Energy: 0.103121909633729
Energy: 7.60826445207266
Energy: 0.15221116473970944
Energy: 0.10331066057554004
Energy: 7.602513161557748
Energy: 0.10999208281124338
Energy: 7.584633329786873
Energy: 7.587612350206747
Energy: 7.776074640354055
Energy: 7.7275666321707925
Energy: 7.584176518149505
Energy: 7.661700554648155
Energy: 0.13271157777750983
Energy: 0.10758780148633944
Energy: 0.12965911410415645
Energy: 7.61792353756766
Energy: 0.10836348822622037
Energy: 0.13093565092868442
Energy: 0.10396236624997725
Energy: 0.10441619573980566
Energy: 0.13067486350729346
Energy: 7.582695407903781
Energy: 0.1095824933830922
Energy: 0.129527620018897
Energy: 0.12839867267613567
Energy: 7.640158714480843
Energy: 7.598381106929107
Energy: 0.13216011697040433
Energy: 7.608586072280034
Energy: 7.644852620862687
Energy: 0.1042388179150939
Energy: 7.609722667247015
Energy: 0.12979186549236543
Energy: 0.10271116482419053
Energy: 7.6032789793824795
Energy: 0.11036448595694813
Energy: 7.643116185398181
Energy: 7.591880025471295
Energy: 7.589356575623487
Energy: 7.63648236426494
Energy: 7.582601013663114
Energy: 7.599408953022989
Energy: 0.12998225790548826
Energy: 0.10931270163965116
Energy: 0.1284675242645028
Energy: 7.603869653939978
Energy: 0.10640951218349154
Energy: 0.13035494509187887
Energy: 0.10488667335466585
Energy: 0.12961568899003173
Energy: 0.12978126535137843
Energy: 7.652143482836206
Energy: 0.10561937255174003
Energy: 0.12013413180879542
Energy: 0.1287078378719825
Energy: 7.759027508288539
Energy: 7.617379873068089
Energy: 0.13142936279349338
Energy: 7.614715144111085
Energy: 7.611260990482961

minimum gb energy = 0.10271116482419053 eV
minimum distance =  0.846923390150592 Angstroms
sigma value = 3


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

Energy: 1.7580832242280937
Energy: 3.1400201040594116
Energy: 0.5820426190709328
Energy: 1.5232839006548748
Energy: 2.141945377674953
Energy: 0.5166202785773227
Energy: 2.5556352007940655
Energy: 0.5088907800656
Energy: 2.0657108221139744
Energy: 3.0666277137584705
Energy: 0.511010556513182
Energy: 1.5899130286652825
Energy: 0.5826088255337981
Energy: 1.4847453463452105
Energy: 1.4792728199448193
Energy: 1.0686595102935308
Energy: 1.444759119022835
Energy: 1.0871182040098417
Energy: 0.513590463336295
Energy: 1.4837626653821199
Energy: 0.5130060031200557
Energy: 1.5478835046108304
Energy: 1.5289020600658025
Energy: 1.0007692573477687
Energy: 0.9801770699182902
Energy: 1.5166344992980767
Energy: 1.5157726758236547
Energy: 1.4686611492654622
Energy: 0.5544432496591672
Energy: 1.0292546338637332
Energy: 1.013460025656685
Energy: 2.562138534018642
Energy: 1.5053006244540983
Energy: 0.9561119831093611
Energy: 1.5497538398531419
Energy: 0.4561908545335927
Energy: 1.525126720998367
Energy: 0.46458880364713506
Energy: 0.4622085372250123
Energy: 1.509588700483793
Energy: 0.4622729009353419
Energy: 0.5006859126181794
Energy: 0.5196293470278339
Energy: 1.3767189560781146
Energy: 1.466764101938246
Energy: 0.5202473381094112
Energy: 0.39795212407467206
Energy: 0.4646761400454026
Energy: 0.47602083116488997
Energy: 0.4809305753914996
Energy: 1.0034539652024785
Energy: 0.5197481292248304
Energy: 1.4572941395909287
Energy: 1.4744526765296637
Energy: 0.9602803773675392
Energy: 0.4625218002938812
Energy: 0.4627027731898187
Energy: 1.487081285089699
Energy: 0.4596015268906375
Energy: 0.9819688917618388
Energy: 0.9948219784296501
Energy: 0.9885844107724486
Energy: 1.480819907325973
Energy: 0.8774052211618544
Energy: 0.49684480933683267
Energy: 0.4227765593538517
Energy: 0.4283715668869878
Energy: 0.48163950478838025
Energy: 0.47858500190645725
Energy: 0.4233253655897569
Energy: 0.4400465607301717
Energy: 0.42430373124863147
Energy: 0.42977126203838995
Energy: 0.39008529137149534
Energy: 1.4441604235449694
Energy: 0.43035758524457307
Energy: 0.386872695815695
Energy: 0.4249368231042111
Energy: 0.3952644520770576
Energy: 0.46011269737627813
Energy: 0.46344317142309793
Energy: 0.42194214481855646
Energy: 0.3986792138528194
Energy: 0.45914896693491447
Energy: 0.3879720871505951
Energy: 0.4005758218745549
Energy: 0.3991817858205697
Energy: 0.3869320582344199
Energy: 0.39771999968419025
Energy: 0.3990032865111983
Energy: 1.4604328588825137
Energy: 0.3989802600630681
Energy: 0.44516785592633656
Energy: 1.4003639147813653
Energy: 0.39915194774492413
Energy: 0.4467348418721401
Energy: 0.3925640550458438
Energy: 0.435616460581651
Energy: 0.4337146001748616
Energy: 0.38915116730806326
Energy: 0.3996708642477532
Energy: 0.3871616736388248
Energy: 0.39338659241950547
Energy: 0.4439557007533133
Energy: 0.4388850582183031
Energy: 0.38644749153080604
Energy: 0.38800468703627766
Energy: 0.38858776445548837
Energy: 0.9894255993009101
Energy: 0.3869718713297946
Energy: 0.44864537068810995
Energy: 0.926267811705491
Energy: 0.3909787034705822
Energy: 0.45113834813301135
Energy: 0.393381486095415
Energy: 0.3905376922348547
Energy: 0.3869421353818204
Energy: 0.3903326164312728
Energy: 0.38763584733856665
Energy: 0.38790820718340774
Energy: 0.42955246972206457
Energy: 0.9140130652046752
Energy: 0.4376686891979248
Energy: 0.4008406958523657
Energy: 0.9261527061165438
Energy: 0.44329076319825306
Energy: 0.40154529106008663
Energy: 0.9594792079753969
Energy: 0.9447718573597418
Energy: 0.4020213360240293
Energy: 0.8941324555504678
Energy: 0.39863614910612755
Energy: 0.40349583049773635
Energy: 0.4628015564751334
Energy: 0.4598135172982091
Energy: 0.3994683242304603
Energy: 0.46560724104982015
Energy: 0.45574437270661894
Energy: 1.6223777853325745
Energy: 0.9698319261717431
Energy: 0.9700838921317383
Energy: 1.3768179838582915
Energy: 0.4246293261690845
Energy: 0.46724852067292744
Energy: 0.4041664182388849
Energy: 0.426826531868893
Energy: 0.4243733243257377
Energy: 0.3987876223174427
Energy: 0.4255046872540713
Energy: 0.4237817318335455
Energy: 0.40090759287476435
Energy: 1.4064896413558037
Energy: 1.390412501113616
Energy: 0.42601076829680906
Energy: 0.39215416897291894
Energy: 0.97554748099044
Energy: 0.458144013503085
Energy: 1.4246788013861282
Energy: 0.46230835521304325
Energy: 0.459328100205079
Energy: 1.483635112927689
Energy: 0.9936730905104176
Energy: 1.4677205102165387
Energy: 0.46848104667369284
Energy: 1.010018782477487
Energy: 1.4518428562082302
Energy: 0.4687133418564521
Energy: 0.4709026383185465
Energy: 1.0386136123213239
Energy: 2.0098888459552304
Energy: 1.0104561886273355
Energy: 0.40407726637856595
Energy: 1.0167372503313579
Energy: 0.4364706672937694
Energy: 0.9667781073719158
Energy: 0.5165565925263264
Energy: 0.5137584988943193
Energy: 0.9683239864654031
Energy: 0.5105171698777738
Energy: 1.0356986715264445
Energy: 0.4695616980596264
Energy: 1.4293303248680798
Energy: 1.4826642473649028
Energy: 1.0447653334877616
Energy: 0.404674436578485
Energy: 0.4770963758666601
Energy: 0.5833197947945649
Energy: 0.4932906676800038
Energy: 1.4913462536913997
Energy: 1.0753560868025258
Energy: 0.43512825137112526
Energy: 2.007710458577872
Energy: 0.9942836788560085
Energy: 1.5254343437778601
Energy: 2.0565547809481552
Energy: 0.47754349114805633
Energy: 1.0287394658851852
Energy: 2.512456649114828

minimum gb energy = 0.38644749153080604 eV
minimum distance =  0.875451085793004 Angstroms
sigma value = 67


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

Energy: 0.5418798581842466
Energy: 2.8166808113122745
Energy: 0.6234980467837323
Energy: 0.573094489382908
Energy: 2.8102627294994273
Energy: 0.6301046353536628
Energy: 2.0017372692354574
Energy: 0.6107446025906489
Energy: 1.3743909492598123
Energy: 2.0511253556932707
Energy: 0.6090384069538366
Energy: 2.748753282371058
Energy: 0.6488988223880003
Energy: 0.5329400595975816
Energy: 1.9761879012395045
Energy: 2.056965912949905
Energy: 0.5360951686121312
Energy: 1.3261873819732537
Energy: 0.5491185216796232
Energy: 1.3026926384701252
Energy: 1.2961134070087825
Energy: 0.548511933905668
Energy: 0.4995578807704364
Energy: 1.3005867633542747
Energy: 1.9795339219869945
Energy: 0.6104926162001707
Energy: 1.972081814803788
Energy: 1.9687414472781202
Energy: 0.6092440164704546
Energy: 1.9777704896667536
Energy: 0.5189088384661288
Energy: 2.0283952355484027
Energy: 0.5859395233213048
Energy: 1.2279841127038058
Energy: 2.0297383113279577
Energy: 0.5725799318447734
Energy: 0.5607838898982829
Energy: 0.49550465319482234
Energy: 0.4977837025938933
Energy: 0.5585292937941084
Energy: 0.49330611518246037
Energy: 0.5551996689818285
Energy: 0.5567082157968811
Energy: 0.4581146002165716
Energy: 0.483353301969301
Energy: 0.5576298429404245
Energy: 0.4555330037266722
Energy: 1.9761294735314074
Energy: 0.46863167151012525
Energy: 1.928209398255192
Energy: 1.923927339452167
Energy: 0.5600834480012562
Energy: 1.9387826733432634
Energy: 0.5591482550177914
Energy: 0.4747157833482729
Energy: 0.48914274062234847
Energy: 0.49343229104542446
Energy: 0.45940118677641206
Energy: 0.4867856563677187
Energy: 0.5009949367168932
Energy: 2.0649497901832428
Energy: 0.49267593004792853
Energy: 0.5170444018952653
Energy: 1.952381737710808
Energy: 0.49942647677269647
Energy: 0.4739853583808036
Energy: 0.46200693429482625
Energy: 0.519349481238324
Energy: 0.5083480305396468
Energy: 0.4628027504979208
Energy: 0.49765520358096504
Energy: 0.46801276110028245
Energy: 0.4626022197111045
Energy: 0.478354028772846
Energy: 0.5004788447084255
Energy: 0.4626709402503887
Energy: 0.4570603859559503
Energy: 0.462854599190888
Energy: 1.2585884486283814
Energy: 0.5062538684797762
Energy: 0.5070872099801129
Energy: 1.1519651248865361
Energy: 0.46078610268171644
Energy: 0.5013603829184314
Energy: 0.5076670816955963
Energy: 0.45954949038579324
Energy: 0.4625780686714775
Energy: 0.46364081791447104
Energy: 0.45534625563553777
Energy: 0.4668370001211491
Energy: 0.46571103609795017
Energy: 1.2535257915964295
Energy: 1.2528247674942872
Energy: 0.4892308002565384
Energy: 1.2721432049107027
Energy: 0.5057123304683186
Energy: 0.4916603694635137
Energy: 0.4500569101583158
Energy: 0.5068197852271511
Energy: 0.49020460777994024
Energy: 0.4470757940675851
Energy: 1.216776835603038
Energy: 1.2356305202926383
Energy: 0.5012996560123925
Energy: 0.5548056053788061
Energy: 0.49714938656742147
Energy: 0.5029846849890239
Energy: 0.4997683750174949
Energy: 0.5305744997957156
Energy: 1.267030815283635
Energy: 0.5535806199303607
Energy: 1.9086204204045585
Energy: 1.272755131719455
Energy: 0.5435233587090693
Energy: 1.2471624201446112
Energy: 0.5518568302638056
Energy: 1.2392706630923904
Energy: 0.4924822860563323
Energy: 0.5514853870870258
Energy: 1.2420543843449923
Energy: 0.4964134002946558
Energy: 1.2776619157485947
Energy: 1.9602324314515012
Energy: 1.309419995611236
Energy: 0.5355576906486206
Energy: 1.3072977615255519
Energy: 0.6471939320821282
Energy: 0.4657959663450075
Energy: 1.9814854201389793
Energy: 1.3438082531536966
Energy: 0.46362564013282725
Energy: 1.9876124345189026
Energy: 1.3206240122685402
Energy: 0.553456158079268
Energy: 1.2975258825350617
Energy: 1.3057440659021522
Energy: 0.5514349280064528
Energy: 1.3756417468342976

minimum gb energy = 0.4470757940675851 eV
minimum distance =  0.947108219006564 Angstroms
sigma value = 33


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

Energy: 0.9391074714384335
Energy: 2.9333461825888247
Energy: 2.4382967243269014
Energy: 0.6358661900659417
Energy: 1.1982323330400961
Energy: 0.6602138767174869
Energy: 2.231557015340098
Energy: 0.6121885555125256
Energy: 1.0156388803793346
Energy: 2.8797227982011693
Energy: 0.6095691525944517
Energy: 1.0742560142156012
Energy: 0.7017527231391002
Energy: 2.165484859036017
Energy: 0.5700849461436964
Energy: 2.0159739097896643
Energy: 2.3658236028569335
Energy: 0.5695982193840551
Energy: 0.6329806171090894
Energy: 0.5929491301491301
Energy: 0.5705720406543856
Energy: 0.6368718125831475
Energy: 0.5625691784700959
Energy: 0.6242646708012534
Energy: 1.9527039142707816
Energy: 0.6114709567526039
Energy: 0.6714009195383359
Energy: 2.172140796096868
Energy: 0.6096096958336533
Energy: 2.154281446349612
Energy: 0.5221420881957151
Energy: 2.1872508680406355
Energy: 2.184391969578092
Energy: 0.519202170226817
Energy: 0.6610216131067337
Energy: 0.5375978312683203
Energy: 0.6081861792891673
Energy: 0.5735632463499367
Energy: 0.5826343720528392
Energy: 0.5989424764528503
Energy: 0.5731872970328152
Energy: 0.5730432811500711
Energy: 0.5991253242662788
Energy: 1.8565891505717607
Energy: 1.881916836940513
Energy: 0.6017774510579877
Energy: 2.1288361904689674
Energy: 0.5609928044041439
Energy: 0.5673810574867652
Energy: 0.5825294771096203
Energy: 0.6093191706868496
Energy: 0.6081710015598091
Energy: 0.5385894398393989
Energy: 0.573143671436456
Energy: 0.5856971090872665
Energy: 0.5393724523931777
Energy: 0.5374795014784901
Energy: 0.5550541036841339
Energy: 0.5362988953081722
Energy: 0.544568855174969
Energy: 0.6237999856879962
Energy: 0.5586120245701167
Energy: 0.5812710987182833
Energy: 0.5518545703685405
Energy: 0.5532001047897166
Energy: 0.558535633260795
Energy: 0.5440475122420714
Energy: 1.2489755830081615
Energy: 1.032750130869306
Energy: 0.5391383919693982
Energy: 0.5435454913768106
Energy: 0.5406904069569806
Energy: 0.5404808737018645
Energy: 0.5793764526740747
Energy: 0.5409891522474406
Energy: 0.5391090364986489
Energy: 0.5433560799205521
Energy: 0.5409006726681458
Energy: 0.5055436015160374
Energy: 1.0424618811868218
Energy: 1.2755286897445832
Energy: 0.5249099998293397
Energy: 0.5719675329509182
Energy: 0.5469698422111178
Energy: 0.5054499933998542
Energy: 0.5934100282171997
Energy: 0.5976904605200194
Energy: 0.5254378011358709
Energy: 0.591949420755071
Energy: 1.246792723431439
Energy: 0.5506400187994288
Energy: 0.5469841221807478
Energy: 0.5676002581314095
Energy: 0.6021648105603793
Energy: 0.5447283308295457
Energy: 1.2807485150724307
Energy: 0.6611924906660896
Energy: 2.294187594155976
Energy: 0.566444599531573
Energy: 0.8913096851797427
Energy: 2.35233377903808
Energy: 0.5704244362291123
Energy: 1.0880931047554
Energy: 0.5766932079589728
Energy: 0.5732601182674271
Energy: 1.0801993390371452
Energy: 0.5738461635433503
Energy: 1.1079125547434463
Energy: 0.5192750886109131
Energy: 2.881549997934084
Energy: 2.427301003602486
Energy: 0.5152203540442954
Energy: 1.1574290456917957
Energy: 0.6353797069737819
Energy: 2.4126261968185503
Energy: 0.6648635125982875
Energy: 0.666450141176039
Energy: 2.4118761526410317
Energy: 0.6614083605547949
Energy: 1.5761204242282705
Energy: 0.6598875759384037
Energy: 0.6604801211040343
Energy: 0.591573675021813
Energy: 0.8822964786018326
Energy: 1.7209667382898972
Energy: 0.6395157306481732
Energy: 0.6068689392088975
Energy: 2.369895327718058
Energy: 0.5706518246553497
Energy: 0.8218300397557735
Energy: 2.3730445303057612
Energy: 0.552512415004304
Energy: 1.7303443500090427
Energy: 0.6418348102685546
Energy: 0.6458060693431596
Energy: 2.1837713350551153
Energy: 0.6617268610365716
Energy: 0.5778747695210594
Energy: 0.5220376914345263
Energy: 2.1950158874400985
Energy: 2.2032215850221752
Energy: 0.6186310031122163
Energy: 0.7246290307257354
Energy: 0.619237511863987
Energy: 0.6051583827579802
Energy: 0.5628441350314668
Energy: 0.581502465124654
Energy: 0.6013216681782664
Energy: 0.5641343772949774
Energy: 0.5759391566227482
Energy: 0.5994782886378298
Energy: 2.109764465799351
Energy: 0.5630984474537388
Energy: 0.6002253392450414
Energy: 2.108063065276265
Energy: 0.5627254594607793
Energy: 0.6251513291662663
Energy: 0.56626447221414
Energy: 0.5618468364267655
Energy: 0.6221516850820015
Energy: 0.5784871793998996
Energy: 0.5643362084058463
Energy: 0.581316161943658
Energy: 0.5408130518517336
Energy: 0.5397347411231083
Energy: 0.5463489845141
Energy: 0.5370949385275463
Energy: 0.5517609312041165
Energy: 0.5741313700372914
Energy: 0.5372718759161556
Energy: 0.5570203803152304
Energy: 0.5549495214255181
Energy: 0.537968713944863
Energy: 0.5444571684860833
Energy: 0.5429046798266226
Energy: 1.0305257247056898
Energy: 1.2398048423960844
Energy: 0.5399041708347566
Energy: 0.5518215390393935
Energy: 0.538843758548998
Energy: 0.5402958630987219
Energy: 0.5398907549127039
Energy: 0.5405621125254977
Energy: 0.543193709557322
Energy: 0.5449937348158547
Energy: 0.5383856656988484
Energy: 0.5078801659385348
Energy: 1.0748979196474846
Energy: 1.269939798228866
Energy: 0.5245455287928005
Energy: 0.5748517469783264
Energy: 0.5431492945720435
Energy: 0.5051464655179118
Energy: 0.5409826498674942
Energy: 1.2309023889664714
Energy: 0.5250984779233178
Energy: 0.5393140582172682
Energy: 1.2164301010903003
Energy: 0.5434312634402921
Energy: 0.5453504973614464
Energy: 1.30707730581248
Energy: 0.5949225141616218
Energy: 0.542204432296791
Energy: 1.309038776405531
Energy: 0.69536351333792
Energy: 2.310546039328107
Energy: 2.3921589778994603
Energy: 1.0787525116963246
Energy: 0.5240392342638621
Energy: 0.5709313459833563
Energy: 1.3759076028634933
Energy: 1.0456292079140157
Energy: 0.5469614562631256
Energy: 1.1110928519294392
Energy: 1.0893186080789559
Energy: 0.5768592301200631
Energy: 0.5453495612872672
Energy: 2.901424408027918
Energy: 2.4360374332205117
Energy: 0.514359552264028
Energy: 1.1596980751239618
Energy: 0.5818702977831073

minimum gb energy = 0.5051464655179118 eV
minimum distance =  2.45208088143975 Angstroms
sigma value = 41


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

Energy: 0.8018714567997675
Energy: 2.0108480664044857
Energy: 0.7848104178836929
Energy: 0.6367864340774695
Energy: 2.069808015793327
Energy: 3.0760978825628458
Energy: 1.9444624273886901
Energy: 0.5647002359256112
Energy: 1.9265871244057295
Energy: 1.9538661314118968
Energy: 0.6477929304800045
Energy: 1.9532328756270956
Energy: 0.6972989992874122
Energy: 0.567988503637862
Energy: 0.5637429283190706
Energy: 0.5853869494947731
Energy: 0.5718798029512631
Energy: 0.5679752548534712
Energy: 0.6513827053937283
Energy: 0.5688432186533505
Energy: 0.5634723731734614
Energy: 0.6125021803765626
Energy: 0.5743741002959868
Energy: 3.1121798206739397
Energy: 0.5872433792165767
Energy: 0.5754925690066016
Energy: 0.565403895824567
Energy: 0.5766776991470727
Energy: 0.6458869011588345
Energy: 0.5644574055386549
Energy: 0.6605518254964279
Energy: 0.571273589312292
Energy: 0.5644456796029754
Energy: 0.5755050167414218
Energy: 0.5945093778228905
Energy: 3.0642751681245803
Energy: 0.5893276529467787
Energy: 0.57867720971848
Energy: 0.595402132856287
Energy: 0.5815717954147925
Energy: 0.6499620932082487
Energy: 0.588411348075662
Energy: 0.5841764321713899
Energy: 0.5668129853040406
Energy: 0.566321039830587
Energy: 0.5853616376414255
Energy: 0.5732945454472248
Energy: 0.5660461211657369
Energy: 0.6371428623146937
Energy: 0.5713296171487618
Energy: 0.56355279044304
Energy: 0.5926098054216755
Energy: 0.6013004749124901
Energy: 0.5644040137817076
Energy: 1.8352411679445328
Energy: 0.5771857574342604
Energy: 0.5749849140654942
Energy: 1.8406033898102447
Energy: 0.5818509959727455
Energy: 0.5641337504641837
Energy: 0.658591025495085
Energy: 1.829396188836394
Energy: 1.840393597938933
Energy: 0.6375785866279927
Energy: 0.5530698236443748
Energy: 1.8338599070645012
Energy: 0.7002027345954456
Energy: 0.5633302686458689
Energy: 0.5630390586837989
Energy: 1.8494961835544796
Energy: 0.5546484903324569
Energy: 0.6378206409247748
Energy: 1.9201837035411948
Energy: 1.8535580537136784
Energy: 0.5737975240858958
Energy: 1.922152425594064
Energy: 1.8660585432135406
Energy: 0.5734749391618129
Energy: 0.6757012355578417
Energy: 1.9305352338513628
Energy: 0.5605753158635906
Energy: 0.5508173858550377
Energy: 1.9443454654535794
Energy: 3.0711117654242197

minimum gb energy = 0.5508173858550377 eV
minimum distance =  0.887215375484611 Angstroms
sigma value = 11


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

Energy: 1.022341266750444
Energy: 2.4946464600753644
Energy: 1.8471470799148666
Energy: 0.6772237494413401
Energy: 2.504022898800934
Energy: 0.7940282229730073
Energy: 2.3802111947912223
Energy: 0.6561022364077888
Energy: 0.6515319755671158
Energy: 2.3407543047633976
Energy: 0.6493913494881275
Energy: 1.2237546396269872
Energy: 0.7683771203653226
Energy: 1.775865278382218
Energy: 0.6485031642447099
Energy: 0.6524904862507787
Energy: 1.7082609454650208
Energy: 1.801257023569952
Energy: 0.6859213237520877
Energy: 0.647772123019241
Energy: 1.7303717297261358
Energy: 0.646043447033461
Energy: 0.6500046159167382
Energy: 1.7614587336224996
Energy: 0.6868334306088798
Energy: 0.6528890267825349
Energy: 0.6539606225282729
Energy: 0.6502707017192481
Energy: 0.6495617431567403
Energy: 0.6507153226989966
Energy: 0.6869365307561992
Energy: 0.6674876083720007
Energy: 0.6663806649510948
Energy: 0.6517006273305341
Energy: 0.6505297544218493
Energy: 0.6620792159721879
Energy: 0.6667078700438643
Energy: 1.205347584235012
Energy: 1.1952047815448308
Energy: 0.6612310962425478
Energy: 0.6488675258479536
Energy: 0.6801499776293015
Energy: 0.6673287929591055
Energy: 0.6483940626386371
Energy: 0.6487484264495136
Energy: 0.6499156955254195
Energy: 0.658909566463551
Energy: 0.648433131960241
Energy: 0.6539306707722378
Energy: 1.2088556341176298
Energy: 1.2145274205982581
Energy: 0.6393497076904757
Energy: 0.6478442836642103
Energy: 1.8141155609786699
Energy: 0.6609598592400816
Energy: 1.2134912887067477
Energy: 1.2093870100861017
Energy: 0.6389197340126982
Energy: 0.6470026049780288
Energy: 1.7866693155470323
Energy: 0.6669197215046446
Energy: 1.7648935915534223
Energy: 1.7916278167249577
Energy: 0.649261777954038
Energy: 1.7728888586038645
Energy: 1.7961935419097226
Energy: 0.649396357284011
Energy: 1.809185271436838
Energy: 1.8434115354061469
Energy: 1.7727445733105918
Energy: 0.6558152850282939
Energy: 0.653030083554228
Energy: 0.656363718199748
Energy: 0.6433256169750885
Energy: 0.6436995565333515
Energy: 0.6531388412741433
Energy: 1.7819041207214743
Energy: 0.6713738943515873
Energy: 0.6595100693641064
Energy: 0.652061273228448
Energy: 1.7731771916568715
Energy: 0.6474167134279302
Energy: 0.6503346836254267
Energy: 1.7675850403325177
Energy: 1.7755278199241888
Energy: 0.6427585255370841
Energy: 0.6419764055094267
Energy: 1.737232650783615
Energy: 0.6425360694541633
Energy: 0.6437276806200579
Energy: 0.6404904948125109
Energy: 0.6431068581424407
Energy: 0.6438592733399372
Energy: 0.6413668219762944
Energy: 0.6428929098670151
Energy: 0.6507095040186696
Energy: 0.6435424842475976
Energy: 0.6439844999149305
Energy: 0.6428913973982406
Energy: 0.6458128309941146
Energy: 0.6445703995112632
Energy: 0.6756546955447322
Energy: 0.797537938352736
Energy: 0.6732816186048218
Energy: 1.2201851541272146
Energy: 0.6527687634003441
Energy: 0.7018301968472263
Energy: 0.6903559608637265
Energy: 0.6686109553728624
Energy: 0.646931776315719
Energy: 0.6464831845713633
Energy: 0.664892977115202
Energy: 0.647552529303152
Energy: 0.6468966980464844
Energy: 0.6642163598570052
Energy: 1.7177208792595955
Energy: 0.6492596453825223
Energy: 0.6483889154562452
Energy: 1.7727277448983654
Energy: 1.7540078596458863
Energy: 0.7072802518105276
Energy: 0.6479368001446995
Energy: 1.7497326080398392
Energy: 0.6453474533674346
Energy: 0.6513900557089088
Energy: 2.321915762825174
Energy: 1.2173797407153322
Energy: 0.645108981578336
Energy: 1.7597513433670344
Energy: 1.7378701058978734
Energy: 0.6446508024867836
Energy: 1.7571685958334124
Energy: 0.6444020821798132
Energy: 1.7667696017746737
Energy: 1.7476862144886969
Energy: 0.6441576233113073
Energy: 1.773601915460618
Energy: 1.8106525414586843
Energy: 0.7151051405688881
Energy: 0.6501157969408959
Energy: 0.6450963305554742
Energy: 0.6486429680234216
Energy: 0.6647550529154871
Energy: 0.6464238358350285
Energy: 0.7014446004816968
Energy: 1.7326862536991223
Energy: 1.7407022080146684
Energy: 0.7009219887557868
Energy: 0.6484217652355382
Energy: 0.6542921967476063
Energy: 0.6973426833334877
Energy: 0.6483830428144126
Energy: 0.6458731080104506
Energy: 0.6446742050917601
Energy: 0.6586895679690131
Energy: 0.6445571743144782
Energy: 0.6948806766635703
Energy: 0.6450398628625793
Energy: 0.650536029242202
Energy: 0.6444947510528993
Energy: 0.6419971012915345
Energy: 0.6502584665342777
Energy: 0.6958546945933949
Energy: 1.259582474400358
Energy: 1.2342832196907474
Energy: 0.6431597230823037
Energy: 0.649535711613755
Energy: 0.6413766910948
Energy: 0.759909793378423
Energy: 1.7552861932468162
Energy: 1.7282459532380459
Energy: 0.7606338093527608
Energy: 0.647848960467893
Energy: 0.645737692945804
Energy: 1.3220019149715196
Energy: 0.650596147834564
Energy: 0.6531162826765272
Energy: 1.2248754976739267
Energy: 0.6526586793934503
Energy: 0.6436449881072634
Energy: 0.6422222514829825
Energy: 2.2958226784068385
Energy: 1.807114651061907
Energy: 0.6506024953844093
Energy: 2.296865035502679
Energy: 1.7605111653876342

minimum gb energy = 0.6389197340126982 eV
minimum distance =  0.902717784336445 Angstroms
sigma value = 57


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

Energy: 0.9132869491670831
Energy: 2.737298018054425
Energy: 0.7457659094594048
Energy: 0.7478347065771004
Energy: 2.6687750127356122
Energy: 0.7508298410560535
Energy: 2.6296785481262512
Energy: 0.6480232983120574
Energy: 0.6605621170471577
Energy: 2.6156936269030266
Energy: 0.6480612980051523
Energy: 2.6174053407418008
Energy: 0.6974921839501198
Energy: 0.6516930004772507
Energy: 0.6512015021324413
Energy: 0.6490598316803203
Energy: 0.6450829212474252
Energy: 4.435268822956982
Energy: 0.6462243730738797
Energy: 4.426907228907352
Energy: 4.442926748545837
Energy: 0.6464428778378359
Energy: 0.6438715217581257
Energy: 0.6483546490748495
Energy: 0.6700718797589508
Energy: 0.6467453366442313
Energy: 0.6483250615087534
Energy: 0.6473013172220189
Energy: 0.6457125214733446
Energy: 0.6489800725439397
Energy: 0.6485613558066434
Energy: 0.6623517023564017
Energy: 0.6716600268922868
Energy: 0.652340387718466
Energy: 0.6619403622573022
Energy: 0.6568354499954552
Energy: 0.6571843771211994
Energy: 0.6511214550679737
Energy: 0.6631919628810499
Energy: 0.6605125236887134
Energy: 0.6525750645507518
Energy: 2.5207540991829673
Energy: 0.7170062621338129
Energy: 2.520429404316164
Energy: 2.5202726287766253
Energy: 0.6481801431076953
Energy: 2.5194246076448406
Energy: 0.6530180053450632
Energy: 0.6751938681368727
Energy: 2.6235071618127876
Energy: 0.6524038273748454
Energy: 0.6380806951145205
Energy: 2.61961686005127
Energy: 0.6484571360383992
Energy: 0.6749386596347654
Energy: 2.571060206454322
Energy: 0.645027697390226
Energy: 0.6383220179909977
Energy: 2.6219872769833836
Energy: 0.6449797706593378
Energy: 0.7168452163145861
Energy: 2.5478159374685774
Energy: 2.541214840949103
Energy: 0.6482129484834857
Energy: 4.489505011248752
Energy: 0.6594754195194943
Energy: 0.6484827508131852
Energy: 0.696631764698681
Energy: 0.7052290999208877
Energy: 0.6505707030571974
Energy: 0.6533645840276048
Energy: 4.419034927175201
Energy: 0.6558936082282477
Energy: 0.6479471404245626
Energy: 0.6626292683083941
Energy: 0.6535841395396721
Energy: 0.6475324005788152
Energy: 0.6567263767858673
Energy: 0.6507997004996449
Energy: 0.6544782135160444
Energy: 0.6539995225397
Energy: 0.6535288792423245
Energy: 0.6967361726414962
Energy: 0.6525698094301481
Energy: 0.6683010826995116
Energy: 0.6449455792456487
Energy: 2.608496282459499
Energy: 0.6459343723660849
Energy: 0.6423017263393217
Energy: 2.603728148258251
Energy: 0.698345187994927
Energy: 0.6448556075179619
Energy: 0.6444866514419283
Energy: 0.6479829583612319
Energy: 0.6445797528939736
Energy: 2.5119792769879115
Energy: 0.639837817343128
Energy: 0.6497043629495897
Energy: 2.658790742981975
Energy: 0.6571126227938842
Energy: 0.6483780188768768
Energy: 2.6570430833085683

minimum gb energy = 0.6380806951145205 eV
minimum distance =  0.913985036963876 Angstroms
sigma value = 9


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

Energy: 2.3436696754787327
Energy: 3.2869015260937453
Energy: 0.7446608256396431
Energy: 0.7049272855746873
Energy: 3.292079348483428
Energy: 0.7426120722818415
Energy: 0.779244344555799
Energy: 0.7052539501812786
Energy: 0.6904783138886378
Energy: 1.481623125990525
Energy: 0.7029839591787452
Energy: 1.5231600417958038
Energy: 0.7026626408397525
Energy: 0.6924675614495727
Energy: 2.2421096639374305
Energy: 0.7174766715551182
Energy: 0.6986650530064268
Energy: 1.5131432101164823
Energy: 0.7116170844664336
Energy: 0.6940278994122818
Energy: 0.6923007389767097
Energy: 0.7062340006129658
Energy: 1.469676999225177
Energy: 0.6912476860668758
Energy: 1.4439582771867179
Energy: 0.6873793533363917
Energy: 0.6868864310895976
Energy: 1.4417199315252436
Energy: 0.6913267775901178
Energy: 0.688623577528067
Energy: 0.7029236457289552
Energy: 0.6866837001118419
Energy: 0.6845916412753384
Energy: 0.6991654574794208
Energy: 0.688569589244919
Energy: 0.6846161452417642
Energy: 0.6960896447915632
Energy: 0.6846616941932863
Energy: 2.2382222360019277
Energy: 1.4789568707417666
Energy: 0.6907276969089406
Energy: 2.2384083553090393
Energy: 0.7078922178892908
Energy: 0.6951252788778342
Energy: 1.4838772531527649
Energy: 0.6888682403573875
Energy: 0.7003509505457948
Energy: 1.4775190571835104
Energy: 0.7929976248971254
Energy: 2.2401758104861025
Energy: 2.2366072892764945
Energy: 0.6963843317172379
Energy: 0.6888149257121945
Energy: 0.6889676420065128
Energy: 0.7937928012530493
Energy: 0.6840216733827792
Energy: 2.2739510629553825
Energy: 0.6981707550391814
Energy: 0.6877049514925424
Energy: 2.2537781794910523
Energy: 0.7121212089033971
Energy: 0.6902921604949437
Energy: 0.6857904940922709
Energy: 0.6877877275999932
Energy: 0.7002457014032615
Energy: 0.6850059814655803
Energy: 0.7168628354534785
Energy: 0.6950707863868039
Energy: 0.6929540181178766
Energy: 0.6969306731811169
Energy: 0.698833125564336
Energy: 0.7015160848180796
Energy: 0.820328193290527
Energy: 1.5036251401541967
Energy: 1.4622776433836482
Energy: 0.6989868201058365
Energy: 0.694117330755935
Energy: 0.6835200292175335
Energy: 0.8113914165547507
Energy: 0.6916382247726155
Energy: 0.6910474669521495
Energy: 0.6917117677259481
Energy: 0.6938668763639918
Energy: 1.4663237540401823
Energy: 0.7076937528391034
Energy: 0.6883509165717331
Energy: 0.6856091462717968
Energy: 0.7036457314091239
Energy: 2.2479597351247103
Energy: 2.279948089362745
Energy: 0.7018700902737237
Energy: 0.6914702570764786
Energy: 2.2348191112826923
Energy: 2.2734317990993125
Energy: 0.6952370575161508
Energy: 0.6834600074966244
Energy: 0.731025562609014
Energy: 0.6955174985481641
Energy: 0.6926479878854385
Energy: 0.6994311840144934
Energy: 0.6982366272042672
Energy: 0.6907516389780037
Energy: 2.2265760693729675
Energy: 0.6916310866823844
Energy: 0.6914427304531248
Energy: 2.2113556017880565
Energy: 0.6917182527294127
Energy: 0.6926457956334138
Energy: 0.7097171167332593
Energy: 1.4666076986891905
Energy: 1.4654001794389475
Energy: 0.7097064944894397
Energy: 0.7005712750548792
Energy: 0.6909380077905953
Energy: 0.7019429130180853
Energy: 1.4656857252697792
Energy: 1.470453283332258
Energy: 0.6957318626001008
Energy: 1.4886327019888057
Energy: 0.6898789851402476
Energy: 0.7661704157094666
Energy: 1.5044600981888607
Energy: 1.5329584543234362
Energy: 0.7033754739570224
Energy: 0.6947591341515313
Energy: 1.4838062156507674

minimum gb energy = 0.6834600074966244 eV
minimum distance =  0.891244335008669 Angstroms
sigma value = 27


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

Energy: 0.6477804548379025
Energy: 3.4347806820713536
Energy: 0.6341480880314132
Energy: 0.649371462167266
Energy: 3.4602845504224216
Energy: 0.6357281878828939
Energy: 2.052299043713735
Energy: 0.646161700646651
Energy: 0.6445524137702846
Energy: 3.2517357569475895
Energy: 0.6484815172396738
Energy: 3.256186690662365
Energy: 0.6613145980755831
Energy: 5.792451969312695
Energy: 3.19340931733205
Energy: 0.6478553625890642
Energy: 0.6441051337085623
Energy: 0.6419231862556487
Energy: 0.6688183317852209
Energy: 0.6461775444433903
Energy: 0.6437336291376522
Energy: 0.6536803313565471
Energy: 0.6505284033860368
Energy: 0.643455592910453
Energy: 0.6580193908384833
Energy: 0.6410528327107722
Energy: 0.6394542958069925
Energy: 0.6529658020738544
Energy: 0.6446890533634126
Energy: 3.1974902884047465
Energy: 0.6618845674223826
Energy: 3.335460062543365
Energy: 0.6420599815628144
Energy: 0.6499518124270435
Energy: 3.2871224198056184
Energy: 0.642457805446291
Energy: 0.6634672167133429
Energy: 0.6472877438661199
Energy: 0.6364647277440051
Energy: 3.2706667458834655
Energy: 0.6477344025522884
Energy: 0.6344784087553682
Energy: 0.6661007078425436
Energy: 0.6510268264201242
Energy: 3.280181141308033
Energy: 0.6464429144465684
Energy: 0.6529022076299582
Energy: 3.266038999495799
Energy: 5.776238681063201
Energy: 0.647389480707861
Energy: 0.6435497466011766
Energy: 5.781273228674347
Energy: 0.6467315156195199
Energy: 0.6429937292244656
Energy: 5.773379988358862
Energy: 0.6494186614380417
Energy: 0.6434262352560253
Energy: 5.816960778515764
Energy: 0.6493315553092206
Energy: 0.642547237127942
Energy: 0.6665641783623829
Energy: 3.2127209015644542
Energy: 3.200364440680743
Energy: 0.6445118372537291
Energy: 0.6478672347035779
Energy: 0.6401565773551011
Energy: 0.6650508047631034
Energy: 0.6501079773251338
Energy: 0.6436999114213354
Energy: 0.6581256941146967
Energy: 0.6539462461479012
Energy: 0.6416125859798608
Energy: 0.6493710671822582
Energy: 3.2430519166082754
Energy: 0.6365478595545487
Energy: 0.6452538177749164
Energy: 3.2415843725111957
Energy: 0.6374462972356827
Energy: 0.6569637569322188
Energy: 3.2589124838732815
Energy: 3.349640005105618
Energy: 0.6496465546573642
Energy: 3.3804295236750073
Energy: 0.644292673855522
Energy: 0.6662673847220533
Energy: 3.2009115846739724
Energy: 0.6429998480562218
Energy: 0.6538254571227643
Energy: 3.198648279388551
Energy: 0.6421931148041656
Energy: 0.6585379781329406
Energy: 5.8938011698456565
Energy: 0.6428900244148907
Energy: 0.6474400569775864
Energy: 5.76936429650466
Energy: 0.6430760279728484
Energy: 0.6611442593679343
Energy: 0.6453396560021947
Energy: 0.642954250821188
Energy: 0.6556587420293828
Energy: 0.645742039587268
Energy: 3.2533019052015812
Energy: 3.2149301239568637
Energy: 0.6441260719147818
Energy: 0.6420134216586708
Energy: 0.6545689196393106
Energy: 0.6452306801479235
Energy: 0.6420784892938919
Energy: 0.6684069251566184
Energy: 0.6443966320155549
Energy: 0.6397753938528055
Energy: 3.315760042339547
Energy: 0.6454426076444213
Energy: 0.6399796248190665
Energy: 0.6660335671556161
Energy: 0.6449901923774747
Energy: 0.6400288537007816
Energy: 3.264923893615817
Energy: 0.6456147898554228
Energy: 0.6401401196661993
Energy: 3.2698860251005346
Energy: 0.6452444449595486
Energy: 0.644328822680403
Energy: 3.2120138443945105
Energy: 0.6570753924183088
Energy: 0.6442984188224711
Energy: 0.6503956194728766
Energy: 0.6449483633972455
Energy: 0.6419881565174594
Energy: 0.6529318916695257
Energy: 0.6469125916963515
Energy: 3.2157720716675904
Energy: 0.6641757487185683
Energy: 3.2222554917487374
Energy: 0.6466419974108548
Energy: 0.6502876354308115
Energy: 3.220245811957794
Energy: 0.6454497480653448
Energy: 0.6673254666210701
Energy: 3.2865663070702547
Energy: 0.6410745224319379
Energy: 0.6548320984823136
Energy: 3.2060647456707647
Energy: 0.6397387316508655
Energy: 0.6566115304646074
Energy: 3.2918923882811146
Energy: 3.2827430760536163
Energy: 0.648512773881272
Energy: 3.30568422851826
Energy: 0.6423342147778941

minimum gb energy = 0.6341480880314132 eV
minimum distance =  2.47383071579812 Angstroms
sigma value = 19


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

Energy: 0.708799808068037
Energy: 2.8245012854608023
Energy: 2.059093873201676
Energy: 0.6666404917587737
Energy: 2.8089710889395394
Energy: 2.0548578329875262
Energy: 1.865524622313982
Energy: 0.6610066773475721
Energy: 0.6687538272366802
Energy: 2.3759435292214537
Energy: 0.6657473175250732
Energy: 1.2811355618351723
Energy: 0.7153586293199904
Energy: 1.756675378563839
Energy: 0.659898764174454
Energy: 0.6637963539496223
Energy: 1.7572771755976995
Energy: 0.6624221811205084
Energy: 0.6740120458577461
Energy: 0.6640789077756786
Energy: 0.6681720724378433
Energy: 0.66755142142903
Energy: 0.6631845894518742
Energy: 0.6650664665703757
Energy: 0.6741056477640727
Energy: 0.6650335287806816
Energy: 1.2223314347090957
Energy: 0.6699931164316779
Energy: 0.6688642410903805
Energy: 1.2173775230314636
Energy: 0.6717234104103866
Energy: 0.6702021485940511
Energy: 0.6648326719684385
Energy: 0.6658818616253886
Energy: 0.6626581327839095
Energy: 0.6716558765724105
Energy: 0.682860137625054
Energy: 1.782633891336921
Energy: 0.6559611819720249
Energy: 1.8501288465093637
Energy: 1.2148439583080397
Energy: 0.6571945508565816
Energy: 0.6606210351019257
Energy: 1.8046874995321878
Energy: 1.8404298639755987
Energy: 0.66516150741454
Energy: 0.6589089374598623
Energy: 1.824156010107713
Energy: 0.6652521464175813
Energy: 0.6661629077471916
Energy: 0.6602081702792165
Energy: 0.6580810235587986
Energy: 0.666526444806549
Energy: 0.6591123603973483
Energy: 0.6692530941741529
Energy: 0.6673188496502445
Energy: 0.6652753383889786
Energy: 0.6577002783622798
Energy: 0.6679602090054034
Energy: 0.6632601603996088
Energy: 0.7096328109936764
Energy: 1.7593516887815985
Energy: 0.6486707129404166
Energy: 0.6652134057748318
Energy: 1.7586272759327723
Energy: 0.6514240782916609
Energy: 0.7420981634436378
Energy: 0.6509922975037346
Energy: 0.6522630513012218
Energy: 0.6645397828550482
Energy: 0.6425129587661348
Energy: 0.6567989975899404
Energy: 0.6926980475320521
Energy: 1.8593187116147698
Energy: 0.6668874998917828
Energy: 0.6638866206520709
Energy: 1.8421819363886756
Energy: 1.2241988987332533
Energy: 1.783128536469415
Energy: 0.6590290408253409
Energy: 1.8107119384508563
Energy: 1.7556055187775046
Energy: 0.643572061720116
Energy: 1.7931190750586632
Energy: 0.7074759766758455
Energy: 0.6439444827977513
Energy: 0.6476842496654538
Energy: 0.6524751896641449
Energy: 0.6417655779202862
Energy: 0.6486598682028738
Energy: 0.7181242716849939
Energy: 0.6468859902131819
Energy: 0.647814097470787
Energy: 0.648708182129775
Energy: 0.6426956766999999
Energy: 0.6490816097473794
Energy: 0.6555150824720568
Energy: 1.2583875424412754
Energy: 1.2172730363437276
Energy: 0.6447001921261994
Energy: 1.2982117972086433
Energy: 1.7701389919192445
Energy: 0.6767058838686767
Energy: 0.6645212318134941
Energy: 1.253765956053093
Energy: 0.6430419010729073
Energy: 0.6627453456395502
Energy: 1.264976420459572
Energy: 0.7148400206432428
Energy: 0.6441868397375887
Energy: 0.6620747660387909
Energy: 0.6517885247589955
Energy: 0.6457994796563087
Energy: 1.7870422277247722
Energy: 0.6431403635537222
Energy: 0.6434249311478022
Energy: 0.6747492756224098
Energy: 0.6456166140597187
Energy: 0.6466728015288201
Energy: 1.798694716665557
Energy: 0.6429656638405982
Energy: 0.6458009121019773
Energy: 0.646353254194975
Energy: 0.6449561245035913
Energy: 0.6497314883887844
Energy: 0.6448284747147822
Energy: 0.6451651703085135
Energy: 0.6508727982111785
Energy: 0.6511653055740422
Energy: 0.6427077831268081
Energy: 0.6515323043555983
Energy: 0.6506245800322853
Energy: 0.6846453799474959
Energy: 0.681043198860179
Energy: 0.6777618375620411
Energy: 1.226125872814918
Energy: 0.6358323271616937
Energy: 1.835895517209593
Energy: 0.6958463248493294
Energy: 0.6438004804473605
Energy: 0.6758419401766006
Energy: 0.6557036718097179
Energy: 0.640503812994328
Energy: 1.8141950438995387
Energy: 1.7685321836629346
Energy: 0.6487678667031092
Energy: 0.6495387749518599
Energy: 1.7528601684561622
Energy: 0.6722842481305702
Energy: 0.6487027113020206
Energy: 0.667690203562441
Energy: 0.6697867779099592
Energy: 0.6669019505644038
Energy: 0.6583692819905692
Energy: 0.6765283160083679
Energy: 1.2058962747840676
Energy: 0.7106340156475973
Energy: 1.2043055657704849
Energy: 0.6590167210601134
Energy: 0.6678709714168689
Energy: 1.2198271502612696
Energy: 0.6602036174685653
Energy: 0.7148137734971207
Energy: 0.6582486460236047
Energy: 0.6639881568782064
Energy: 0.6621612445456047
Energy: 0.6581788797799932
Energy: 0.6654863669021781
Energy: 0.6756377813726272
Energy: 2.3654312661298094
Energy: 2.425863907879775
Energy: 0.6395483107443469
Energy: 1.2824817971440878
Energy: 0.6424482900339998

minimum gb energy = 0.6358323271616937 eV
minimum distance =  2.46979720686294 Angstroms
sigma value = 101


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

Energy: 1.0102484203190774
Energy: 3.94681119559964
Energy: 2.8664548487209096
Energy: 0.6274292878491212
Energy: 2.1565422792992006
Energy: 0.6285671190927442
Energy: 1.225076848073854
Energy: 0.6347299620054097
Energy: 0.625450504654406
Energy: 1.7360787108212872
Energy: 0.6260069871741677
Energy: 1.7272568846747476
Energy: 0.7131697531252352
Energy: 1.5781550814598861
Energy: 0.6343229260501447
Energy: 0.6439823616093273
Energy: 2.5417358508087204
Energy: 0.6359888548904129
Energy: 0.6427184497397823
Energy: 0.6291777097956528
Energy: 0.639700218170126
Energy: 0.6277549250939193
Energy: 0.6274727123660753
Energy: 0.6274393318335373
Energy: 0.6369860832301855
Energy: 1.6138574541988164
Energy: 1.605585794305809
Energy: 0.6380937316833991
Energy: 0.6383314840932973
Energy: 0.6417741584044078
Energy: 0.6376160661387015
Energy: 0.6280082239867995
Energy: 0.6300821463507644
Energy: 0.6246811166129549
Energy: 0.6277686161800655
Energy: 0.628727458160957
Energy: 0.678663490217936
Energy: 0.6209206376562151
Energy: 0.632379059378705
Energy: 2.658280088257109
Energy: 2.5518186701375405
Energy: 0.6332663717372836
Energy: 0.6263525516946169
Energy: 2.669630998179203
Energy: 2.66135184968488
Energy: 0.6280451658381428
Energy: 0.6297570846401913
Energy: 2.6911127732893196
Energy: 0.6270010157217969
Energy: 0.6402284844497077
Energy: 0.6352056523538301
Energy: 0.6218462428577297
Energy: 0.6427009883057856
Energy: 0.6314494036659348
Energy: 0.6291319540842617
Energy: 0.6492199448444764
Energy: 0.6406679021737698
Energy: 0.6224670367052623
Energy: 0.6412011355236212
Energy: 0.6381230483539949
Energy: 0.7082890229518236
Energy: 0.6248633110880077
Energy: 0.62610148586114
Energy: 1.8536318980428625
Energy: 2.5473023263651617
Energy: 0.6270927646819756
Energy: 0.6830473173638932
Energy: 1.6412018710548097
Energy: 1.6254414230337304
Energy: 0.6290363577794885
Energy: 1.6146786264390731
Energy: 0.6410571341806386
Energy: 0.6302211178851953
Energy: 0.6399723817046888
Energy: 2.5772069673642486
Energy: 0.6266773320767289
Energy: 0.6369690960439252
Energy: 2.587901649728771
Energy: 0.6381520767817619
Energy: 0.6285254521426071
Energy: 0.6287774022622372
Energy: 0.6274686365786831
Energy: 0.6274663190827648
Energy: 0.6287302284921489
Energy: 0.7094346388938566
Energy: 1.581683862224041
Energy: 0.6294979826949856
Energy: 0.6395280177133786
Energy: 1.5718272212287798
Energy: 0.6329432826732426
Energy: 0.7158689570881809
Energy: 0.6287823536013272
Energy: 0.6288556619077372
Energy: 0.6310236512330337
Energy: 0.6328609919587287
Energy: 0.6283096790221289
Energy: 0.6190505507088061
Energy: 1.6703965812706771
Energy: 2.5977037008315493
Energy: 0.6036749111133052
Energy: 1.6833447959231744
Energy: 0.6219319200729634
Energy: 2.61727851591134
Energy: 1.6673805539411335
Energy: 1.680236820576275
Energy: 2.602119259056243
Energy: 0.6286087943930325
Energy: 0.6151642840221598
Energy: 0.720734619858555
Energy: 0.6261734646172873
Energy: 0.6276110617384412
Energy: 0.6398083093662567
Energy: 1.584007913177016
Energy: 0.6358809034775879
Energy: 0.6706267673243986
Energy: 0.6278986066299018
Energy: 0.6309215471072757
Energy: 0.6318992302125794
Energy: 0.6270461502756253
Energy: 0.6339826656151497
Energy: 0.6390117551168509
Energy: 1.6072700114097966
Energy: 1.6047719097089475
Energy: 0.6399120508336558
Energy: 0.6453041624448694
Energy: 0.6414836881061983
Energy: 1.6098470225606383
Energy: 0.6346714094515653
Energy: 0.6351352624131984
Energy: 1.6084642431410159
Energy: 0.6372868696321721
Energy: 0.628057452906228
Energy: 0.6493756697965246
Energy: 0.6329042053056522
Energy: 0.6315598738278433
Energy: 0.6233780919586467
Energy: 0.6336235804098513
Energy: 0.6342517730283734
Energy: 0.6280287639654872
Energy: 0.6257863535471379
Energy: 0.6285943793739818
Energy: 0.6255955608255601
Energy: 0.62787228180065
Energy: 2.703926109864392
Energy: 0.6300243885516904
Energy: 0.6385513388687198
Energy: 0.634497440481716
Energy: 0.623308161548318
Energy: 0.6406729715793181
Energy: 0.6297364570154217
Energy: 0.626369425854284
Energy: 0.6398377147953829
Energy: 0.6364895208681758
Energy: 0.6203705375838623
Energy: 0.6446548859031115
Energy: 0.6342403895718286
Energy: 0.6564369417834056
Energy: 0.6160825571053581
Energy: 0.6177810759008643
Energy: 1.6428212168042315
Energy: 0.6141875956796894
Energy: 0.6204702212115426
Energy: 0.6810247962711644
Energy: 0.6191704484986192
Energy: 0.6202828094686742
Energy: 0.6318951837732434
Energy: 0.6166062844759789
Energy: 1.6193584987877399
Energy: 0.6354979100348344
Energy: 0.6361958181402378
Energy: 0.6324486502169614
Energy: 0.62490404418964
Energy: 0.6357937841275992
Energy: 2.5904877870626435
Energy: 0.6353164481642813
Energy: 0.6378594877108872
Energy: 2.583432672728365
Energy: 0.621669452765286
Energy: 0.6228639864636523
Energy: 2.578390000430138
Energy: 0.7030357636833598
Energy: 0.6249549692508181
Energy: 0.6314837638404498
Energy: 0.6421293036000062
Energy: 1.5772971696891076
Energy: 0.6342166681254536
Energy: 0.7144810325732623
Energy: 0.6259226235847095
Energy: 0.6294345415918486
Energy: 0.6387340680074941
Energy: 0.6252939592542459
Energy: 0.6358664417370369
Energy: 0.6225298153574137
Energy: 1.6925682506105013
Energy: 0.6185497323912699
Energy: 0.6145486795900054
Energy: 1.6795543973308353
Energy: 2.591139039525566

minimum gb energy = 0.6036749111133052 eV
minimum distance =  0.904155509968898 Angstroms
sigma value = 33


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

Energy: 0.014775068915465024
Energy: 4.3639426382354705
Energy: 0.015483409017776164
Energy: 0.01640916252538093
Energy: 4.381673527885316
Energy: 0.015273054933869651
Energy: 4.426601826462839
Energy: 0.08751205580522584
Energy: 4.504017521802825
Energy: 4.353066989580597
Energy: 0.0891223648822562
Energy: 4.358907331285616
Energy: 0.9338416912167714
Energy: 0.6816986625113632
Energy: 0.6712690317191793
Energy: 0.6740237126763367
Energy: 0.67466987473011
Energy: 0.6714424062253694
Energy: 0.01600532994212464
Energy: 0.08751205580034008
Energy: 4.504016859656041
Energy: 4.35306698970784
Energy: 0.08912236488601118
Energy: 4.35890733130964

minimum gb energy = 0.014775068915465024 eV
minimum distance =  0.895621760065872 Angstroms
sigma value = 1