Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuTa__MO_547744193826_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614939033985138
cohesive_energy=3.540272685207228
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.450365591398598e-19, 2.16695991925134e-19, 2.71525680693882e-19, 3.14808482461392e-19, 3.51467886023946e-19, 3.83899145449374e-19, 4.1237783511872395e-19, 4.37003289983304e-19, 4.581792585548819e-19, 4.76387996000292e-19, 4.92047670421008e-19, 5.055043519699739e-19, 5.170448302646759e-19, 5.269174426833839e-19, 5.35341687424956e-19, 5.42508223508838e-19, 5.48578870775064e-19, 5.536802011777199e-19, 5.57905140961578e-19, 5.61303357602292e-19, 5.63905292455908e-19, 5.65734978171936e-19, 5.66816447399886e-19, 5.671689262593659e-19, 5.667892103971079e-19, 5.6557636268517e-19, 5.63432650348878e-19, 5.602635449668259e-19, 5.55702148089828e-19, 5.49405593918208e-19, 5.410502427718979e-19, 5.30278809261516e-19, 5.16690749228562e-19, 4.99821431449176e-19, 4.791277180444319e-19, 4.5393669482804995e-19, 4.233751755345e-19, 3.86233516805112e-19, 3.4081661576111397e-19, 2.84809327166376e-19, 2.1518193500600397e-19, 1.280743151157018e-19, 1.84251915086634e-20, -1.210646321242884e-19, -3.0212084569674597e-19, -5.43475938195774e-19, -8.7161613242868e-19, -1.3222699673336639e-18, -1.94970476768094e-18, -2.84645905149708e-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: 0.013653765052210746
Energy: 0.014003673392438173
Energy: 0.014134795608644769
Energy: 0.013918660523271727
Energy: 0.3164188987518627
Energy: 0.014049798081360398
Energy: 0.014003673392751792
Energy: 0.09665330644726824
Energy: 0.09640813676420268
Energy: 0.09651878814313133
Energy: 0.0966455953637233
Energy: 0.0969464284251836
Energy: 0.014134795607425142
Energy: 0.09640813676357544
Energy: 0.09676938070958456
Energy: 0.014158449942068729
Energy: 0.09652179908267225
Energy: 0.09700454700413111
Energy: 0.013918660521424861
Energy: 0.09651878814313133
Energy: 0.014158449942068729
Energy: 0.0139802279834102
Energy: 0.09653719763137601
Energy: 0.014095542997528134
Energy: 0.3164188987512355
Energy: 0.09664559536219006
Energy: 0.09652179908113899
Energy: 0.09653719763168961
Energy: 0.09658891204566904
Energy: 0.09674528701385234
Energy: 0.01404979807982715
Energy: 0.0969464284251836
Energy: 0.09700454700413111
Energy: 0.01409554299568127
Energy: 0.09674528701353871
Energy: 0.014109272316357706

minimum gb energy = 0.013653765052210746 eV
minimum distance =  2.55254778392297 Angstroms
sigma value = 1


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

Energy: 1.0572141636077095
Energy: 0.6240096455728446
Energy: 0.6283880731252924
Energy: 0.6190505797431691
Energy: 0.6161229338555065
Energy: 0.6266342471690797
Energy: 0.9551634811270485
Energy: 0.5919338885820241
Energy: 0.5921036914606491
Energy: 0.6139929695513516
Energy: 0.5919790693788959
Energy: 0.6030625782159412
Energy: 0.9403679309210518
Energy: 0.6053947167865822
Energy: 0.6057530159388014
Energy: 0.6066474518697293
Energy: 0.5978001490987477
Energy: 0.6086229056571143
Energy: 0.9991166688618413
Energy: 0.6063267583705594
Energy: 0.6059643801082971
Energy: 0.59641967286332
Energy: 0.6071090561231608
Energy: 0.5960452937215197
Energy: 0.9261313750232228
Energy: 0.6010952224835348
Energy: 0.6029934887788511
Energy: 0.6175720653754176
Energy: 0.5901425279669054
Energy: 0.6033487495079705
Energy: 0.919075828869184
Energy: 0.6115030883649786
Energy: 0.6073174062779692
Energy: 0.6064410171929625
Energy: 0.6002644052644126
Energy: 0.6065461555122136
Energy: 0.9216476478313794
Energy: 0.600088132732752
Energy: 0.6014435608781128
Energy: 0.6061474720393633
Energy: 0.5995386497478999
Energy: 0.6064488167604213
Energy: 0.8838402723856497
Energy: 0.6041926037333153
Energy: 0.6044066020131174
Energy: 0.5922854923852242
Energy: 0.603658829466297
Energy: 0.5990265885203457
Energy: 0.7742468249618429
Energy: 0.6070553634695993
Energy: 0.6056704303098773
Energy: 0.6010993223923117
Energy: 0.6068837035274182
Energy: 0.6059599711121854
Energy: 0.7722912506985825
Energy: 0.6142046358847189
Energy: 0.6100352786904333
Energy: 0.5949783083255864
Energy: 0.6163996036687044
Energy: 0.6031636740646189
Energy: 0.7665254888847137
Energy: 0.5881116921667241
Energy: 0.5873354504987514
Energy: 0.6267522837792514
Energy: 0.5884415990981445
Energy: 0.592181309643953
Energy: 0.6874678592722986
Energy: 0.6093835897013363
Energy: 0.6102203267944343
Energy: 0.5978951846597863
Energy: 0.6042815476334213
Energy: 0.5919129045540665
Energy: 0.6870960554860226
Energy: 0.6161201716333851
Energy: 0.6148337815689141
Energy: 0.5940130824603987
Energy: 0.6055186628822234
Energy: 0.5923092009883261
Energy: 0.7485992881853888
Energy: 0.586285002806022
Energy: 0.5872166872357485
Energy: 0.6155605258360146
Energy: 0.587697914690505
Energy: 0.5880014527854099
Energy: 0.7157470214264795
Energy: 0.6137257894492081
Energy: 0.6030161172943215
Energy: 0.592518513296903
Energy: 0.6169167578264736
Energy: 0.5923091742677689
Energy: 0.716646963186691
Energy: 0.6018524441063945
Energy: 0.6011286708720271
Energy: 0.6155652477872877
Energy: 0.6021200237590293
Energy: 0.6167129749567168
Energy: 0.849754784153698
Energy: 0.6052949205913727
Energy: 0.6066323098117635
Energy: 0.5976543033800713
Energy: 0.6069702609225238
Energy: 0.6058087864312389
Energy: 0.8490630537833739
Energy: 0.6010622571666625
Energy: 0.5995262779853291
Energy: 0.5995960156708582
Energy: 0.6013037205752527
Energy: 0.6162375336304705
Energy: 0.8499170462863074
Energy: 0.6101928932329195
Energy: 0.6081183756090041
Energy: 0.6005948087593963
Energy: 0.5990835628016168
Energy: 0.6161795990856789
Energy: 0.8929428084738019
Energy: 0.6002561572841024
Energy: 0.6157489324077196
Energy: 0.6016733349846338
Energy: 0.5989472692388195
Energy: 0.6079308013491159
Energy: 0.952586070740061
Energy: 0.5974829780097398
Energy: 0.5889110148844979
Energy: 0.6025549086611366
Energy: 0.5973183533761116
Energy: 0.5898612594203169
Energy: 0.9665944897438318
Energy: 0.6060825434994996
Energy: 0.6165709550955732
Energy: 0.6017551985166619
Energy: 0.6070375420669697
Energy: 0.6012530403697507
Energy: 0.9553009713342647
Energy: 0.5918809971265068
Energy: 0.5919785327114373
Energy: 0.6224099076629922
Energy: 0.5951021108977792
Energy: 0.6027443425542904

minimum gb energy = 0.586285002806022 eV
minimum distance =  2.40904361124436 Angstroms
sigma value = 33


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

Energy: 1.342911357622752
Energy: 0.6647651178830393
Energy: 0.6571148666414697
Energy: 0.6613036302006616
Energy: 0.6603600015162906
Energy: 0.6574221875493836
Energy: 0.8922757554761032
Energy: 0.649727588430341
Energy: 0.6211229345840178
Energy: 0.626106468998987
Energy: 0.651860504688299
Energy: 0.6284509341500553
Energy: 0.9181232725475714
Energy: 0.6283509554191237
Energy: 0.6323202548136989
Energy: 0.6147239438719765
Energy: 0.6572424236670664
Energy: 0.6202083994910585
Energy: 0.968831252354828
Energy: 0.6579943633228179
Energy: 0.6587760368726242
Energy: 0.6093868442706769
Energy: 0.6602309197047049
Energy: 0.6306839576987586
Energy: 0.8992667075717815
Energy: 0.6326834890509114
Energy: 0.6361507777991371
Energy: 0.6192485301988829
Energy: 0.6301461597616885
Energy: 0.6371940401975087
Energy: 0.948151827495612
Energy: 0.6713670142233154
Energy: 0.6725917809689292
Energy: 0.6341172158332368
Energy: 0.6599588109129865
Energy: 0.6693898784762236
Energy: 0.9476287738026078
Energy: 0.665835417482605
Energy: 0.6722842711972985
Energy: 0.6353650708206108
Energy: 0.6574805249218255
Energy: 0.6393413947679828
Energy: 0.8986640025517462
Energy: 0.6136200699871905
Energy: 0.6186222012148813
Energy: 0.6203873377375029
Energy: 0.6131667106895815
Energy: 0.6046947126925065
Energy: 0.7875303502863332
Energy: 0.612515098799504
Energy: 0.634365691187517
Energy: 0.621325044494057
Energy: 0.6113485613028775
Energy: 0.6565415422432416
Energy: 0.7910977478810027
Energy: 0.6251607109650494
Energy: 0.628712334270944
Energy: 0.6113479318271987
Energy: 0.6254751906083472
Energy: 0.6109193610834566
Energy: 0.766841966109419
Energy: 0.6240746826828062
Energy: 0.6341888811158144
Energy: 0.6570743361341952
Energy: 0.5970444024059035
Energy: 0.631402397217595
Energy: 0.7228703692032591
Energy: 0.6004898409029977
Energy: 0.6253505156033762
Energy: 0.6445886683340057
Energy: 0.6209300547574429
Energy: 0.6100122402206775
Energy: 0.7227649594232253
Energy: 0.6423894385605748
Energy: 0.6569256516596436
Energy: 0.6612405563709308
Energy: 0.6243615193045707
Energy: 0.6250571106467921
Energy: 0.7483318975257999
Energy: 0.6067483762081505
Energy: 0.6338276806498837
Energy: 0.6436067839272432
Energy: 0.6067935447378974
Energy: 0.6046581791600606
Energy: 0.7712642170860714
Energy: 0.6313444228767328
Energy: 0.6348028594198403
Energy: 0.634234089054433
Energy: 0.6286323824531115
Energy: 0.635806467371424
Energy: 0.7720180426114601
Energy: 0.620597608745896
Energy: 0.6210205713516148
Energy: 0.651440612054497
Energy: 0.6352940544628528
Energy: 0.6486819576828209
Energy: 0.8271942182062723
Energy: 0.6215087541189749
Energy: 0.6222806316090609
Energy: 0.627732490600682
Energy: 0.6213261292994507
Energy: 0.6502857409337944
Energy: 0.877999606201843
Energy: 0.620517560228706
Energy: 0.6248927749081027
Energy: 0.6116206750484887
Energy: 0.6159276561127607
Energy: 0.6045044674946037
Energy: 0.8797088492635133
Energy: 0.621237439728146
Energy: 0.6250918982264869
Energy: 0.6115897310861611
Energy: 0.6200795081724708
Energy: 0.590928526053135
Energy: 0.8279655938759916
Energy: 0.579927217693356
Energy: 0.5802964806701157
Energy: 0.5823375672287899
Energy: 0.57995567823293
Energy: 0.5981911219297127
Energy: 1.0087777709058243
Energy: 0.6255313084897046
Energy: 0.6340823517143648
Energy: 0.5784147186776554
Energy: 0.6604483211609447
Energy: 0.6344030942068394
Energy: 0.828603217038859
Energy: 0.6187736391902957
Energy: 0.6186151795926282
Energy: 0.6019728988757632
Energy: 0.6200522729348992
Energy: 0.578964127073252
Energy: 0.8272196011332333
Energy: 0.615113398040611
Energy: 0.615491693656242
Energy: 0.5941530640059947
Energy: 0.6170521783541372
Energy: 0.6161583362464845
Energy: 1.0803926771500258
Energy: 0.6264972610402456
Energy: 0.6210173483314011
Energy: 0.6595853424035122
Energy: 0.6258206094730598
Energy: 0.6555655227234836
Energy: 0.8158928709707195
Energy: 0.6199739130387525
Energy: 0.6148616702368571
Energy: 0.5946449738994493
Energy: 0.6195091144427621
Energy: 0.6168202675004983
Energy: 0.8949440218854033
Energy: 0.6626356965570386
Energy: 0.6635286097188835
Energy: 0.6448502742116408
Energy: 0.6625205685745095
Energy: 0.6375266083350858
Energy: 0.933931836864683
Energy: 0.6582173666691473
Energy: 0.6578159366345242
Energy: 0.633339368202535
Energy: 0.6707125969675699
Energy: 0.658253116652378
Energy: 0.9048033878346532
Energy: 0.6133057601431676
Energy: 0.6129324508121523
Energy: 0.6212477101743333
Energy: 0.6126755831711417
Energy: 0.6292496472376206
Energy: 0.7881011261402474
Energy: 0.6129179224036345
Energy: 0.6127424984862537
Energy: 0.6213172706292032
Energy: 0.612475323223078
Energy: 0.6304716427909012
Energy: 0.7956863468259652
Energy: 0.6293366129493743
Energy: 0.6293922810102345
Energy: 0.6161827156667229
Energy: 0.6277025234034794
Energy: 0.6490375285315635
Energy: 0.7635614058251856
Energy: 0.5977778303640295
Energy: 0.6430451243081355
Energy: 0.6463927744531335
Energy: 0.609353857543464
Energy: 0.643395044861542
Energy: 0.7273005885744293
Energy: 0.5902794713177979
Energy: 0.5906237085674829
Energy: 0.6395097952184291
Energy: 0.600957243799481
Energy: 0.6384668649467022
Energy: 0.7235764040791336
Energy: 0.632195875935352
Energy: 0.6287458822213209
Energy: 0.623950705284705
Energy: 0.6241865462373767
Energy: 0.6247751332494728
Energy: 0.7262002341220288
Energy: 0.6396168382895604
Energy: 0.6013901655334263
Energy: 0.6405459721976323
Energy: 0.63891959935184
Energy: 0.5932264701216317
Energy: 0.78628822199915
Energy: 0.6258010970460787
Energy: 0.6498870726082737
Energy: 0.6518766742242197
Energy: 0.6203103747036998
Energy: 0.6281897227212423
Energy: 0.7915077819791834
Energy: 0.637777861184127
Energy: 0.6412570253149975
Energy: 0.6521243811350155
Energy: 0.641231075557362
Energy: 0.6623688391961688
Energy: 0.78693435233096
Energy: 0.6449215087722024
Energy: 0.6580213131711425
Energy: 0.6219682990556731
Energy: 0.6316726886799245
Energy: 0.6522713438487823
Energy: 0.8802086738759991
Energy: 0.625046886142216
Energy: 0.6260248768250625
Energy: 0.611584226374829
Energy: 0.6260578112739626
Energy: 0.64432944385636
Energy: 0.8752881137873747
Energy: 0.6335979483781121
Energy: 0.6289803970891242
Energy: 0.6109543443045191
Energy: 0.6332043843735998
Energy: 0.638782320301116
Energy: 0.8994632720454429
Energy: 0.6218081230683294
Energy: 0.6524660518014181
Energy: 0.6198026166897074
Energy: 0.6344587127924005
Energy: 0.6344365802328541
Energy: 0.9792378526731823
Energy: 0.657023463895908
Energy: 0.6302157173117393
Energy: 0.5934855341337649
Energy: 0.6499426994122627
Energy: 0.6012397412924976

minimum gb energy = 0.5784147186776554 eV
minimum distance =  2.40551230962994 Angstroms
sigma value = 51


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

Energy: 1.0988847906666719
Energy: 0.6412871224870003
Energy: 0.6403081706778635
Energy: 0.6436241339100474
Energy: 0.6365250545828127
Energy: 0.6424027215972687
Energy: 0.8825357942864891
Energy: 0.6367409976001035
Energy: 0.6300255530614971
Energy: 0.6515294500005611
Energy: 0.6362722733707488
Energy: 0.6258462507822224
Energy: 0.9614030021660899
Energy: 0.6358832803249148
Energy: 0.6365198082326197
Energy: 0.6415318506842905
Energy: 0.6371367016037727
Energy: 0.6319994821290642
Energy: 0.941843861402631
Energy: 0.6363811575848167
Energy: 0.6383916417152949
Energy: 0.6431533179099574
Energy: 0.6329545547884656
Energy: 0.6227842671071738
Energy: 0.8269534611121896
Energy: 0.651657815598279
Energy: 0.6598049495727207
Energy: 0.6537126904327352
Energy: 0.6508285303717588
Energy: 0.6595967873201756
Energy: 0.8260036564742589
Energy: 0.652775539703591
Energy: 0.6574717752668112
Energy: 0.6499169319433536
Energy: 0.6503281123049217
Energy: 0.6572899546511455
Energy: 0.8274810672142138
Energy: 0.6502245483304929
Energy: 0.6591505174649567
Energy: 0.6505858310384838
Energy: 0.6508510768458959
Energy: 0.6589326567359399
Energy: 0.8246301629500905
Energy: 0.622547302251539
Energy: 0.6291613731418313
Energy: 0.6444572670607855
Energy: 0.6226781614252423
Energy: 0.6293487642173148
Energy: 0.7022793680953257
Energy: 0.6226748170484618
Energy: 0.6295258289556716
Energy: 0.6371328116082586
Energy: 0.6229648354866262
Energy: 0.6312433813533986
Energy: 0.7030229896789795
Energy: 0.6587272265598819
Energy: 0.6271356121367385
Energy: 0.6362603371094256
Energy: 0.625195485080478
Energy: 0.6304936715390954
Energy: 0.7007921103134914
Energy: 0.6306427957430135
Energy: 0.626756502809629
Energy: 0.634939328002747
Energy: 0.6255992192706626
Energy: 0.6250307198839541
Energy: 0.7337473901981316
Energy: 0.6248366532055725
Energy: 0.6409858942990582
Energy: 0.6310664380744733
Energy: 0.630369615300991
Energy: 0.6241123205296977
Energy: 0.7319949349913439
Energy: 0.6427672701826692
Energy: 0.646443678307694
Energy: 0.65289196755627
Energy: 0.6434448730232274
Energy: 0.6321116736693003
Energy: 0.7337986820694735
Energy: 0.6276347749377946
Energy: 0.6283814495222453
Energy: 0.6312272719507708
Energy: 0.6266497444815853
Energy: 0.6282485822482725
Energy: 0.8814134909340212
Energy: 0.6283191016781475
Energy: 0.641111548659195
Energy: 0.6191254831405577
Energy: 0.6258802561835682
Energy: 0.6406784487015887
Energy: 0.879567970798813
Energy: 0.6328427774977172
Energy: 0.6463667171114562
Energy: 0.6519640897178316
Energy: 0.6312266111267425
Energy: 0.619521073526163
Energy: 0.8903021568852489
Energy: 0.6347225489007126
Energy: 0.6484398083210653
Energy: 0.6511584816167825
Energy: 0.6321208983191402
Energy: 0.6415024575133715
Energy: 1.0030103985769407
Energy: 0.6241479723370393
Energy: 0.624663719313643
Energy: 0.6212005464570431
Energy: 0.6239272365589709
Energy: 0.6245153992425493

minimum gb energy = 0.6191254831405577 eV
minimum distance =  2.39254780632484 Angstroms
sigma value = 19


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

Energy: 0.9160666990681634
Energy: 0.5921305863914115
Energy: 0.5922081770764964
Energy: 0.6473648067544632
Energy: 0.5764405773424706
Energy: 0.5929785394166842
Energy: 0.9175820862792707
Energy: 0.5747964010330292
Energy: 0.57473444229198
Energy: 0.6000242737426773
Energy: 0.5738554317747523
Energy: 0.5744997833869885
Energy: 0.9571769428654068
Energy: 0.5736521080495701
Energy: 0.5740502364013098
Energy: 0.610550148788385
Energy: 0.5735900263038759
Energy: 0.5744365914980502
Energy: 0.7700950069536561
Energy: 0.573894763891551
Energy: 0.5743987300711602
Energy: 0.5903069682538404
Energy: 0.5743510638732084
Energy: 0.5749849062139273
Energy: 0.7781951615687545
Energy: 0.5743347447920003
Energy: 0.5980645016499252
Energy: 0.5980921345723791
Energy: 0.574390409444129
Energy: 0.5982688078878644
Energy: 0.7752546257665884
Energy: 0.5502848220715452
Energy: 0.5956831976640348
Energy: 0.5993107794404197
Energy: 0.5500805372299284
Energy: 0.5954107962276035
Energy: 0.776859107357996
Energy: 0.5994800021092013
Energy: 0.5972283971106753
Energy: 0.6005598218752511
Energy: 0.5598555798287593
Energy: 0.59688428234605
Energy: 0.7344685695556964
Energy: 0.5509557848690776
Energy: 0.550493136085472
Energy: 0.5750939302268699
Energy: 0.5533723344171931
Energy: 0.5504638406902169
Energy: 0.6414069366913364
Energy: 0.5507896591369552
Energy: 0.5506571239209371
Energy: 0.5738959827748319
Energy: 0.5517031255383462
Energy: 0.5506310457434839
Energy: 0.640617251189453
Energy: 0.5748238194803321
Energy: 0.5744012240319119
Energy: 0.5738529305117878
Energy: 0.5990769649985156
Energy: 0.5742586920513915
Energy: 0.6386004426736582
Energy: 0.6122295723556516
Energy: 0.6120609003576303
Energy: 0.5728545321563254
Energy: 0.6123213451319413
Energy: 0.5745394114780764
Energy: 0.7769409119591687
Energy: 0.5990623284414586
Energy: 0.5987563531036314
Energy: 0.574210167621253
Energy: 0.5992878033918209
Energy: 0.5741386316231395
Energy: 0.6181815764611702
Energy: 0.5981111452129173
Energy: 0.5989701396716283
Energy: 0.5496511309183794
Energy: 0.5986275550449586
Energy: 0.5994463146643463
Energy: 0.7776467015919043
Energy: 0.5996592351422926
Energy: 0.5990874923358331
Energy: 0.5743986939400966
Energy: 0.6000216838636412
Energy: 0.5988892319525349
Energy: 0.9159377076982244
Energy: 0.5742789047546208
Energy: 0.574395917219068
Energy: 0.5512036494101094
Energy: 0.5742799155429121
Energy: 0.5505916749142908
Energy: 0.9175998675501491
Energy: 0.5771789617899176
Energy: 0.5501706533343762
Energy: 0.5520999472154108
Energy: 0.5747546220017439
Energy: 0.550301183705289
Energy: 0.778148387303747
Energy: 0.5742777258850358
Energy: 0.5747325831597397
Energy: 0.6007767722793937
Energy: 0.5737432313328081
Energy: 0.5744273650439449
Energy: 0.7706302645418044
Energy: 0.5737851988907953
Energy: 0.5744843808646274
Energy: 0.5896635151977702
Energy: 0.5737667679994468
Energy: 0.5752337586215046
Energy: 0.77224229311699
Energy: 0.5735072563927901
Energy: 0.5737806050697669
Energy: 0.5910033738976972
Energy: 0.5735015809996351
Energy: 0.5745250111912716
Energy: 0.7775825635383663
Energy: 0.5500834618747008
Energy: 0.5968750668691114
Energy: 0.5980709272024187
Energy: 0.5501348880915751
Energy: 0.5963502911982734
Energy: 0.7719791910607606
Energy: 0.597701702599318
Energy: 0.5979398746734115
Energy: 0.6001176814010997
Energy: 0.5981139552547821
Energy: 0.598487643986772
Energy: 0.7771734389725724
Energy: 0.5998078192213988
Energy: 0.5993462119325688
Energy: 0.5994999632989717
Energy: 0.5998037404645203
Energy: 0.5988130269360077
Energy: 0.7358121149070194
Energy: 0.6481851951417903
Energy: 0.6103300766418461
Energy: 0.6712365919535518
Energy: 0.6480067941381902
Energy: 0.6106098393514827
Energy: 0.6410020710952901
Energy: 0.5751348859218004
Energy: 0.5746920828349281
Energy: 0.5738454316366738
Energy: 0.585085880763094
Energy: 0.5743774482854107
Energy: 0.6409160456887588
Energy: 0.6164678980321645
Energy: 0.5739875865378244
Energy: 0.5736614524695098
Energy: 0.6220514446367246
Energy: 0.5740254221259786
Energy: 0.7365270024679056
Energy: 0.5905945722934619
Energy: 0.5906431959953695
Energy: 0.6725882734093261
Energy: 0.590447121741243
Energy: 0.5740961993612927
Energy: 0.7772982538068557
Energy: 0.5991573502232914
Energy: 0.5986357618973002
Energy: 0.5993811439206796
Energy: 0.5981502676544466
Energy: 0.5982427972050615
Energy: 0.6190605774954302
Energy: 0.5981834958164802
Energy: 0.596102431769177
Energy: 0.550059938788985
Energy: 0.5989419844241486
Energy: 0.5953311832026342
Energy: 0.7341829891088952
Energy: 0.5992501498103685
Energy: 0.5972064326584939
Energy: 0.5596843461122379
Energy: 0.5996461798320295
Energy: 0.596287064053701
Energy: 0.9151683803168787
Energy: 0.5751466217934437
Energy: 0.5506216381297524
Energy: 0.5525458534946632
Energy: 0.5745335385825103
Energy: 0.5506257096912078

minimum gb energy = 0.5496511309183794 eV
minimum distance =  2.42307072823479 Angstroms
sigma value = 27


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

Energy: 0.7623006094886048
Energy: 0.6737552349870424
Energy: 0.6739728176115465
Energy: 0.5790798803845053
Energy: 1.191447732972896
Energy: 0.6741452389526893
Energy: 0.6772892508566362
Energy: 0.6226533083810167
Energy: 0.5704947983350519
Energy: 0.564953899706895
Energy: 0.622497691214233
Energy: 0.559514196431332
Energy: 0.6867557423808669
Energy: 0.6205542413472263
Energy: 0.5704093940802596
Energy: 0.5724697548226628
Energy: 0.6191352259394037
Energy: 0.5694901147911209
Energy: 0.6771416293758934
Energy: 0.5764839833087578
Energy: 0.5688870088993728
Energy: 0.6062019794509512
Energy: 0.6047202146900821
Energy: 0.5545992339996391
Energy: 0.7559626964220376
Energy: 0.5382293552790212
Energy: 0.5653601778756927
Energy: 0.605147718961009
Energy: 0.5255509222981294
Energy: 0.5695307792204737
Energy: 0.6420154020314139
Energy: 0.5222878372818524
Energy: 0.5239741490144194
Energy: 0.6187533281512012
Energy: 0.5230074695983173
Energy: 0.538044130234846
Energy: 0.6456515097036373
Energy: 0.5636508346538867
Energy: 0.5696236083378982
Energy: 0.6209343850255987
Energy: 0.5649622055878541
Energy: 0.569300178435353
Energy: 0.6451256782026938
Energy: 0.5625116870222406
Energy: 0.5603604791082832
Energy: 0.6222932618848585
Energy: 0.5785946545068658
Energy: 0.5649243479040036
Energy: 0.6862641919750977
Energy: 0.5628350314318694
Energy: 0.5598332394482427
Energy: 0.6228194050704345
Energy: 0.5758705463771516
Energy: 0.5546240390154956
Energy: 0.5985302086246582
Energy: 0.5705168521886461
Energy: 0.5824082963049196
Energy: 0.5792652852896574
Energy: 0.5765635732668575
Energy: 0.5809755837797697
Energy: 0.6878672906618404
Energy: 0.5746762535344275
Energy: 0.5759327686572706
Energy: 0.5798702873107837
Energy: 0.5758497866697041
Energy: 0.5780702762086198
Energy: 0.6772892494463942
Energy: 0.5689649326332884
Energy: 0.5689687883065045
Energy: 0.5654200585209401
Energy: 0.5704148785412835
Energy: 0.5595141426471895

minimum gb energy = 0.5222878372818524 eV
minimum distance =  2.4363321251692 Angstroms
sigma value = 9


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

Energy: 1.3846210221261253
Energy: 0.5458412969665659
Energy: 0.5895402264305287
Energy: 0.5046589921843473
Energy: 0.5127317756409951
Energy: 0.4921923901118646
Energy: 0.5311770299765873
Energy: 0.5010810377816814
Energy: 0.5300909348501648
Energy: 0.5014027362844312
Energy: 0.5306622725514352
Energy: 0.49939373980859164
Energy: 0.5764763931621277
Energy: 0.5256733633740578
Energy: 0.5269921656468067
Energy: 0.5290827345859186
Energy: 0.5273863548911377
Energy: 0.5013227296944257
Energy: 0.5773622689307395
Energy: 0.5135024309764825
Energy: 0.513345111356263
Energy: 0.5346646666897757
Energy: 0.5285999722405825
Energy: 0.5006391105562901
Energy: 0.6116209402959509
Energy: 0.5338648824553743
Energy: 0.5417844153183556
Energy: 0.5554414633641463
Energy: 0.5337345774362725
Energy: 0.5170193123886475
Energy: 0.5702773768659612
Energy: 0.5538427971914484
Energy: 0.512275152750841
Energy: 0.5804281050729219
Energy: 0.5524410613314249
Energy: 0.5041571638697077
Energy: 0.5714281574030893
Energy: 0.501284451423027
Energy: 0.5013063199739936
Energy: 0.5677264937464374
Energy: 0.5015968597736918
Energy: 0.5574834232632635
Energy: 0.5721716371640405
Energy: 0.5332050782860062
Energy: 0.539771395834664
Energy: 0.5119300403537241
Energy: 0.5442081091687134
Energy: 0.5204953120207555
Energy: 0.5480027654038322
Energy: 0.5536121245760112
Energy: 0.5442842683880271
Energy: 0.5600092831798607
Energy: 0.5523913412697586
Energy: 0.5373628017055118
Energy: 0.5303993596643007
Energy: 0.5115533185854452
Energy: 0.5109317545206136
Energy: 0.5430034379064261
Energy: 0.540894137373341
Energy: 0.4968439501508782
Energy: 0.5306453940084025
Energy: 0.5553644095560819
Energy: 0.5487477395125326
Energy: 0.5370276080178368
Energy: 0.5536411282726471
Energy: 0.5322989475455029
Energy: 0.6185081500223103
Energy: 0.5627594182031295
Energy: 0.557027021264416
Energy: 0.5133317237192655
Energy: 0.5680592698617577
Energy: 0.5065507280205411
Energy: 0.7869080300022593
Energy: 0.5707103237977212
Energy: 0.5459425457251691
Energy: 0.5005891710594264
Energy: 0.5527767953025262
Energy: 0.5301413902525244
Energy: 0.619055821844187
Energy: 0.5140085734608155
Energy: 0.51685225957871
Energy: 0.5139318293947088
Energy: 0.5515219428496645
Energy: 0.5184503537867597
Energy: 0.5569844855789422
Energy: 0.5111726193136225
Energy: 0.5100810791699671
Energy: 0.5318831714445491
Energy: 0.5149192957392331
Energy: 0.5618549308867891
Energy: 0.5565990180893401
Energy: 0.5000423903062713
Energy: 0.5038307167782397
Energy: 0.5401088409433454
Energy: 0.5329481518209215
Energy: 0.5148558491034653
Energy: 0.5561723341891301
Energy: 0.498220887091368
Energy: 0.4922071427621363
Energy: 0.5304796054478738
Energy: 0.5114225230349212
Energy: 0.5035682458324932
Energy: 0.6019234675081172
Energy: 0.48693357496096895
Energy: 0.4994421710995416
Energy: 0.5362071157798729
Energy: 0.507874777589464
Energy: 0.5055592233013108
Energy: 0.5771905199519418
Energy: 0.49754443115737124
Energy: 0.4995042289931596
Energy: 0.5104737582001463
Energy: 0.5083394082337126
Energy: 0.5016553624164601
Energy: 0.5747194041386497
Energy: 0.509473804683617
Energy: 0.4996403709293912
Energy: 0.5093320767073689
Energy: 0.509154012066104
Energy: 0.5008732222709213
Energy: 0.5765625696921304
Energy: 0.4987636519283125
Energy: 0.5027327480813931
Energy: 0.5198574714669187
Energy: 0.5104831981069812
Energy: 0.49987860988488764
Energy: 0.5933603156924797
Energy: 0.5153633663103137
Energy: 0.508018585671509
Energy: 0.5007247087590361
Energy: 0.5168375490353062
Energy: 0.5159720775609893
Energy: 0.5908455254506175
Energy: 0.5179324732865211
Energy: 0.5114127271567012
Energy: 0.5320091859447382
Energy: 0.5304854295175673
Energy: 0.48153271725434316
Energy: 0.5764454380934855
Energy: 0.5264441166059446
Energy: 0.5139545693046562
Energy: 0.5271476297095912
Energy: 0.5396693970979158
Energy: 0.5169335973954189
Energy: 0.7996985455586589
Energy: 0.5311910326035927
Energy: 0.5596875124861439
Energy: 0.546878379723701
Energy: 0.5445152590546045
Energy: 0.560198660501307
Energy: 0.5763152832923853
Energy: 0.50086045532482
Energy: 0.5176286300840175
Energy: 0.5269945999186129
Energy: 0.5138406175275217
Energy: 0.5168597375168962
Energy: 0.5475613703812826
Energy: 0.5161929107711197
Energy: 0.5251195510370367
Energy: 0.5475014255901112
Energy: 0.5134080612335866
Energy: 0.5092960502536173
Energy: 0.570948065239524
Energy: 0.5011196833270631
Energy: 0.4941886794279297
Energy: 0.5685242992700911
Energy: 0.5143621105760185
Energy: 0.493727785327421
Energy: 0.5710092477395552
Energy: 0.521574960134096
Energy: 0.5474876763386268
Energy: 0.5682097638513656
Energy: 0.5527054921742938
Energy: 0.5485145636945893
Energy: 0.5478806393537478
Energy: 0.5338183603927125
Energy: 0.5291540955969202
Energy: 0.5295425555365928
Energy: 0.5329870943778007
Energy: 0.5017931301610162
Energy: 0.5307493950282887
Energy: 0.5067551748666594
Energy: 0.534744715575037
Energy: 0.5702659234366789
Energy: 0.5392053929488027
Energy: 0.5432091491879409
Energy: 0.5302810366778696
Energy: 0.5515098853505102
Energy: 0.5182539404003529
Energy: 0.5432775500284888
Energy: 0.5517679258344106
Energy: 0.5052439292908906
Energy: 0.5636795714343162
Energy: 0.5572310968481747
Energy: 0.5562697749999941
Energy: 0.5582728173519
Energy: 0.5680192512896824
Energy: 0.5335563284172781
Energy: 0.5628884422953412
Energy: 0.5514688958451411
Energy: 0.5322404640693559
Energy: 0.5297728625320336
Energy: 0.5681902748869684
Energy: 0.49201260552606046
Energy: 0.5614637832576217
Energy: 0.5163691400697038
Energy: 0.5018431851124788
Energy: 0.5561417870013265
Energy: 0.5548985632982079
Energy: 0.5164754281749149
Energy: 0.5639553659608458
Energy: 0.5093555942188888
Energy: 0.5008304381629132
Energy: 0.5420498763407536
Energy: 0.5120244689393099
Energy: 0.5002205950836571
Energy: 0.5558737915732223
Energy: 0.5305800138847586
Energy: 0.5027026872921131
Energy: 0.5409080671882392
Energy: 0.5442447663209133
Energy: 0.5184534893954994
Energy: 0.5564429029041033
Energy: 0.5026844561447295
Energy: 0.5031451002263561
Energy: 0.5305438949049497
Energy: 0.5005797120325316
Energy: 0.5279170729040343
Energy: 0.5423721432047477
Energy: 0.5052403911877531
Energy: 0.5373724279498696
Energy: 0.5416600298054507
Energy: 0.49661292306942206
Energy: 0.5375628597079591
Energy: 0.5776984334835089
Energy: 0.502498493926307
Energy: 0.503225527380951
Energy: 0.5299554925006928
Energy: 0.5020164672384009
Energy: 0.505252677539053
Energy: 0.5723086372553131
Energy: 0.5024488678024613
Energy: 0.5034606740034508
Energy: 0.5090609862583276
Energy: 0.5003011824913886
Energy: 0.5012580928900748
Energy: 0.5770242165790606
Energy: 0.5102042087171316
Energy: 0.5145138582996261
Energy: 0.49910258806539753
Energy: 0.5097661169855877
Energy: 0.4984144675264775
Energy: 0.5911621897651561
Energy: 0.5002450829312572
Energy: 0.5060163369450232
Energy: 0.5325380215831246
Energy: 0.5102518827333283
Energy: 0.4811559430090474

minimum gb energy = 0.4811559430090474 eV
minimum distance =  2.39276951663203 Angstroms
sigma value = 57


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

Energy: 0.2484311463583141
Energy: 0.2604967174233437
Energy: 0.25230464052650253
Energy: 0.24914771995792764
Energy: 0.2890002931560398
Energy: 0.25987681266299206
Energy: 0.2500022164116285
Energy: 0.26716965304887147
Energy: 0.27089284436419625
Energy: 0.28559810955247783
Energy: 0.2882340701151283
Energy: 0.271565920067634
Energy: 0.32576462777684306
Energy: 0.27204371508549
Energy: 0.27148632846760495
Energy: 0.28822046453060157
Energy: 0.2896612687148527
Energy: 0.27144967365247824
Energy: 0.3258535673765632
Energy: 0.2717048803930454
Energy: 0.2709958988017086
Energy: 0.28884417425768344
Energy: 0.29109820317471047
Energy: 0.27101763382301375
Energy: 0.320851281765413
Energy: 0.25233764800910397
Energy: 0.26625707769312396
Energy: 0.32278202291245567
Energy: 0.25080252337515685
Energy: 0.2721208782514039
Energy: 0.2892113350695054
Energy: 0.2513985261516395
Energy: 0.2529025922736031
Energy: 0.26759230493405617
Energy: 0.25338887762309237
Energy: 0.26455338461159517
Energy: 0.2840697440792628
Energy: 0.26764168739761707
Energy: 0.27107924330339533
Energy: 0.284483037933788
Energy: 0.26412553858125015
Energy: 0.27320660185441226
Energy: 0.2891966897475018
Energy: 0.27060362342704786
Energy: 0.2886963816346444
Energy: 0.28913845660640286
Energy: 0.2676933926235321
Energy: 0.269924128908835
Energy: 0.32110845544343
Energy: 0.2880305738350025
Energy: 0.27476542580675767
Energy: 0.28913711810154796
Energy: 0.28664633987383004
Energy: 0.2714941589632257
Energy: 0.2496590144804084
Energy: 0.28783096279616727
Energy: 0.2693426462846956
Energy: 0.25008436517928
Energy: 0.28620611487814024
Energy: 0.2647427688514225
Energy: 0.24983203645220764
Energy: 0.2681132310098879
Energy: 0.2712138751664094
Energy: 0.2502784672437221
Energy: 0.2646935082027988
Energy: 0.2537066481343363
Energy: 0.32449110362085914
Energy: 0.2914581643264135
Energy: 0.2723024375175981
Energy: 0.28555590614739457
Energy: 0.28813047509128537
Energy: 0.27204711744392346
Energy: 0.4804744456478942
Energy: 0.31747884919802516
Energy: 0.28840008560105734
Energy: 0.2685324953308488
Energy: 0.32598466960784717
Energy: 0.2896078288653075
Energy: 0.32254702732891743
Energy: 0.290290253173786
Energy: 0.2739717666513527
Energy: 0.28773808744262686
Energy: 0.28704409950310844
Energy: 0.27184100485745477
Energy: 0.325737565132415
Energy: 0.25476295139683497
Energy: 0.2573297267612223
Energy: 0.2875613717808904
Energy: 0.2504350066118888
Energy: 0.2522822405141727
Energy: 0.28660652750339793
Energy: 0.2708927723683936
Energy: 0.2721321989351219
Energy: 0.28742777093758676
Energy: 0.2517960044091896
Energy: 0.2720522569101312
Energy: 0.28897093769431365
Energy: 0.2801000060635476
Energy: 0.275826027510866
Energy: 0.2891318156593574
Energy: 0.28826873633663525
Energy: 0.27135447127522294
Energy: 0.3254010145257172
Energy: 0.2706707716152753
Energy: 0.2761808368040921
Energy: 0.32536770680262495
Energy: 0.268907597300489
Energy: 0.27029135318171854
Energy: 0.2499260360254781
Energy: 0.26761738682650454
Energy: 0.2706604923547169
Energy: 0.25047552103361365
Energy: 0.26884754876125244
Energy: 0.27269891570412874

minimum gb energy = 0.2484311463583141 eV
minimum distance =  2.43887040945596 Angstroms
sigma value = 11


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

Energy: 0.8494754401945969
Energy: 0.4388784023767737
Energy: 0.4874879184789656
Energy: 0.4972041828137715
Energy: 0.47025841211832814
Energy: 0.4845945105905611
Energy: 0.44088854424833773
Energy: 0.437758281377858
Energy: 0.43083903347454694
Energy: 0.4318637969567226
Energy: 0.42663985868720417
Energy: 0.4326062610355018
Energy: 0.43037228639158304
Energy: 0.43335985195142757
Energy: 0.43501439226395944
Energy: 0.4278693729277253
Energy: 0.4330815484764027
Energy: 0.43256553165711065
Energy: 0.4298938760779921
Energy: 0.4381591916713225
Energy: 0.4397174158334403
Energy: 0.42760245920039125
Energy: 0.431044401128002
Energy: 0.4340143130653449
Energy: 0.4276591361771126
Energy: 0.4846441332198712
Energy: 0.4619050567226352
Energy: 0.43833246533394016
Energy: 0.46866158254536416
Energy: 0.43814605761369857
Energy: 0.4664885336821396
Energy: 0.4658674123437026
Energy: 0.4721650370501066
Energy: 0.4359613052684474
Energy: 0.43914384600321177
Energy: 0.4653105491497762
Energy: 0.46709033851074183
Energy: 0.42916531235292277
Energy: 0.43243403834492866
Energy: 0.42605693183053484
Energy: 0.4320441867707773
Energy: 0.4291091643500072
Energy: 0.44556273272082625
Energy: 0.5140287698189105
Energy: 0.514367678381782
Energy: 0.4405651147542938
Energy: 0.5146216634618493
Energy: 0.43297417489836276
Energy: 0.46755814896660086
Energy: 0.43407241660714674
Energy: 0.4425311500443874
Energy: 0.440842824081488
Energy: 0.4268915375297755
Energy: 0.442818129517383
Energy: 0.6203450427499909
Energy: 0.4561462802819288
Energy: 0.4663909278347636
Energy: 0.43046619489242594
Energy: 0.46245723662848837
Energy: 0.46637399613197195
Energy: 0.4943161715903682
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Energy: 0.4609463166446314
Energy: 0.4636737253121943
Energy: 0.459639364283875
Energy: 0.48423707135074967
Energy: 0.557369203363
Energy: 0.4193045228145014
Energy: 0.4396288365912125
Energy: 0.48217781421557987
Energy: 0.4160028327383793
Energy: 0.4385434247279625
Energy: 0.618001071937423
Energy: 0.4211368032451792
Energy: 0.44253275085973964
Energy: 0.5238586958001982
Energy: 0.417404954369093
Energy: 0.4389700713507603
Energy: 0.5317746307146963
Energy: 0.4855429479601106
Energy: 0.4831827869812499
Energy: 0.4443668828550958
Energy: 0.48522416366054005
Energy: 0.48429030865626665
Energy: 0.5350205305222955
Energy: 0.46544630279494353
Energy: 0.4695278234144976
Energy: 0.4702752783895454
Energy: 0.4661708111139333
Energy: 0.4601061269596267
Energy: 0.6649324463165915
Energy: 0.48938891201114715
Energy: 0.48640512445536116
Energy: 0.45458986077387215
Energy: 0.4678781078591974
Energy: 0.48442746735563275
Energy: 0.7257063642509397
Energy: 0.4652080320790834
Energy: 0.4254957738493931
Energy: 0.4368953237815279
Energy: 0.4708936871380037
Energy: 0.42509895456606683
Energy: 0.502753687095038
Energy: 0.4551578179228561
Energy: 0.4877645883920043
Energy: 0.4436820255036873
Energy: 0.4600069148949501
Energy: 0.48750876167408397
Energy: 0.4986465232798887
Energy: 0.430643947493927
Energy: 0.4664978073715689
Energy: 0.43417003507671914
Energy: 0.4345273309971177
Energy: 0.4669456103665462
Energy: 0.5888525279551562
Energy: 0.4438516177139473
Energy: 0.524337780343338
Energy: 0.44408970613812204
Energy: 0.5525065782135009
Energy: 0.4531108816119471
Energy: 0.6643203105435548
Energy: 0.46610781461160683
Energy: 0.4655516769315062
Energy: 0.46436087374318313
Energy: 0.4876990814215768
Energy: 0.4555136559471687
Energy: 0.42915810441595637
Energy: 0.4946703575409115
Energy: 0.4935788395291423
Energy: 0.45755745934650394
Energy: 0.49893320212512027
Energy: 0.48763204186605796
Energy: 0.4295160908823297
Energy: 0.4646162075660036
Energy: 0.46177380770885457
Energy: 0.4323409387254005
Energy: 0.4636738893349305
Energy: 0.45552862902479174
Energy: 0.5148940322275027
Energy: 0.430855710222625
Energy: 0.43256103835808046
Energy: 0.5152110381686598
Energy: 0.42916492795456784
Energy: 0.43255630599906614
Energy: 0.5151449856963828
Energy: 0.42795340274775967
Energy: 0.44272666918657383
Energy: 0.4701060608749317
Energy: 0.42710337250251457
Energy: 0.4322791310868465
Energy: 0.4925045668382552
Energy: 0.4285679862690721
Energy: 0.43814916452134556
Energy: 0.46353177424173553
Energy: 0.4387822946360619
Energy: 0.46232995064541266

minimum gb energy = 0.4160028327383793 eV
minimum distance =  2.40559241553109 Angstroms
sigma value = 41


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

Energy: 0.7112389301461215
Energy: 0.49613922606421273
Energy: 0.492030087757424
Energy: 0.4770051058995363
Energy: 0.5187242622216783
Energy: 0.4877760417091876
Energy: 0.48880551451011994
Energy: 0.4762837325632944
Energy: 0.4695465267679714
Energy: 0.4648200030678856
Energy: 0.47492136565171433
Energy: 0.4633704546251679
Energy: 0.4719529159089845
Energy: 0.4710316099910848
Energy: 0.46583064057623685
Energy: 0.4680651139662882
Energy: 0.47013073754775336
Energy: 0.46540250305027314
Energy: 0.47218118209751886
Energy: 0.47220055141176015
Energy: 0.4646631796449462
Energy: 0.4680549726877444
Energy: 0.46868798601261646
Energy: 0.46669063988264814
Energy: 0.4679481575517126
Energy: 0.4791512312511478
Energy: 0.4771221707378627
Energy: 0.4746648363337157
Energy: 0.478526736484057
Energy: 0.4636158009143166
Energy: 0.528610174509281
Energy: 0.4736209231621005
Energy: 0.6038753051401577
Energy: 0.47805166206381583
Energy: 0.4675153923296713
Energy: 0.6052908896713209
Energy: 0.5294269186472287
Energy: 0.4664454145583706
Energy: 0.46750305583071694
Energy: 0.46522340944542195
Energy: 0.475534848305614
Energy: 0.4713312985729574
Energy: 0.4903282678544432
Energy: 0.6060514794472162
Energy: 0.60605207333224
Energy: 0.4456958641562184
Energy: 0.6060793853976971
Energy: 0.45761768800669406
Energy: 0.5291312824906902
Energy: 0.4659383496441177
Energy: 0.46360294851559286
Energy: 0.47604818040968894
Energy: 0.4693198302162973
Energy: 0.4641856827229533
Energy: 0.5276690563576878
Energy: 0.47819132231607187
Energy: 0.47222055500079874
Energy: 0.4665483639006474
Energy: 0.6043410837892197
Energy: 0.47063020857195004
Energy: 0.5274425829721547
Energy: 0.4761443097497066
Energy: 0.47681161446281467
Energy: 0.4659880752765937
Energy: 0.4665611449831767
Energy: 0.4775869342788891
Energy: 0.5327100923347046
Energy: 0.4562032219677797
Energy: 0.4565199151814083
Energy: 0.47737683654603197
Energy: 0.4463044131684648
Energy: 0.4714308042352955
Energy: 0.6046163392264604
Energy: 0.445572218403647
Energy: 0.445778210087806
Energy: 0.6142719498052241
Energy: 0.44649200755091645
Energy: 0.44592510719628226
Energy: 0.47183819673341143
Energy: 0.4694463990886013
Energy: 0.47700444215813764
Energy: 0.46545980299012407
Energy: 0.47610975588608123
Energy: 0.46440956062868327
Energy: 0.6048467419717997
Energy: 0.47783094459375924
Energy: 0.4638084268033974
Energy: 0.6050405112570292
Energy: 0.4923248205218188
Energy: 0.6057650810245541
Energy: 0.46843840402338316
Energy: 0.47664308553325874
Energy: 0.4709033762026631
Energy: 0.47514438163239586
Energy: 0.474739119859667
Energy: 0.465627389749233
Energy: 0.9530877194239776
Energy: 0.47602763414831256
Energy: 0.4655445474983008
Energy: 0.4451431988941846
Energy: 0.46982753355864226
Energy: 0.6285704563946083
Energy: 0.4882664256217197
Energy: 0.46752201034402363
Energy: 0.46810221878800085
Energy: 0.4589696218226506
Energy: 0.47839928062312315
Energy: 0.44674554524877785
Energy: 0.4713183961311456
Energy: 0.46890354263999245
Energy: 0.46809898170217573
Energy: 0.466601264587887
Energy: 0.4685607071736464
Energy: 0.4713860034043903
Energy: 0.46963289863682023
Energy: 0.4673804103651417
Energy: 0.4640680181857521
Energy: 0.46776850848481866
Energy: 0.468192976608465
Energy: 0.4665424045012909
Energy: 0.468189064283983
Energy: 0.4678442104965114
Energy: 0.4630441000595023
Energy: 0.48222864982702907
Energy: 0.4652505083609212
Energy: 0.4644464999163245
Energy: 0.6737765595142294
Energy: 0.48255054448289814
Energy: 0.4912902426475517
Energy: 0.6725741242598419
Energy: 0.49141854313560035
Energy: 0.4745626280207201
Energy: 0.5289212189992276
Energy: 0.4688584852643071
Energy: 0.4648352540543357
Energy: 0.47437774388484694
Energy: 0.4689203064646533
Energy: 0.4644054345561113
Energy: 0.49009343120649196
Energy: 0.46754484516435973
Energy: 0.6014151390693198
Energy: 0.44534510611942146
Energy: 0.6060361614271449
Energy: 0.4577977842649616
Energy: 0.5296249018687452
Energy: 0.4672800455021666
Energy: 0.46764614593793424
Energy: 0.4753079217564612
Energy: 0.4660115093623766
Energy: 0.4705883207965515
Energy: 0.5271568218826955
Energy: 0.4673912688055768
Energy: 0.4680102655850198
Energy: 0.4665240653157201
Energy: 0.4750010951256127
Energy: 0.47882159686207404
Energy: 0.526969643639363
Energy: 0.6153367225977565
Energy: 0.47188453443617445
Energy: 0.466585465631368
Energy: 0.6026097215581916
Energy: 0.47033179424884763
Energy: 0.527164352787241
Energy: 0.4654893241797302
Energy: 0.47334783472552355
Energy: 0.4737695871915232
Energy: 0.45687354185446305
Energy: 0.4666574110945876
Energy: 0.6044935500456176
Energy: 0.445302814949769
Energy: 0.7509068956632101
Energy: 0.6194570385118205
Energy: 0.46551029044274067
Energy: 0.750792069967616
Energy: 0.47056950128154557
Energy: 0.4763257212151236
Energy: 0.47209181379518417
Energy: 0.4690727918570566
Energy: 0.47466488555139064
Energy: 0.4782254216757335
Energy: 0.6071861351824743
Energy: 0.4641612622895809
Energy: 0.4672380529675136
Energy: 0.6071637752277308
Energy: 0.46952933582436307
Energy: 0.6062759969260809
Energy: 0.46934927775058566
Energy: 0.47776199679433207
Energy: 0.4738844286295823
Energy: 0.4681356973445104
Energy: 0.46587095334653295
Energy: 0.4688028750009522
Energy: 0.5610659391185701
Energy: 0.47526500193213844
Energy: 0.44703961929500635
Energy: 0.4491522194919273
Energy: 0.48714385905579105
Energy: 0.4481757436322258

minimum gb energy = 0.4451431988941846 eV
minimum distance =  2.40465075292193 Angstroms
sigma value = 33


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

Energy: 0.6722120241520557
Energy: 0.561681864922546
Energy: 0.5666587941402053
Energy: 0.4981370739330702
Energy: 0.5233834619723358
Energy: 0.5819730397509969
Energy: 0.5859970025567035
Energy: 0.5283256489368768
Energy: 0.5251927006188499
Energy: 0.527459294337844
Energy: 0.5162146731359291
Energy: 0.5138667138681606
Energy: 0.5894645899132767
Energy: 0.5710215428105208
Energy: 0.518062750371658
Energy: 0.5289456302194605
Energy: 0.525326864146022
Energy: 0.5701241813120914
Energy: 0.5895162608789767
Energy: 0.5281559434263828
Energy: 0.5147911069205485
Energy: 0.5804275044407954
Energy: 0.5157462006781445
Energy: 0.5301904845590424
Energy: 0.5870491980819926
Energy: 0.5611959500121609
Energy: 0.516252441473172
Energy: 0.5271250634792025
Energy: 0.5614366724809247
Energy: 0.5195332317737079
Energy: 0.6901649468771769
Energy: 0.54780458224109
Energy: 0.549184227557209
Energy: 0.5512851382008506
Energy: 0.5488394214421416
Energy: 0.5476914331646672
Energy: 0.6415262439536118
Energy: 0.5455756531094467
Energy: 0.5184322803202107
Energy: 0.5261679000792971
Energy: 0.5601912316505573
Energy: 0.5117574658520956
Energy: 0.6695715867672674
Energy: 0.5823827043540288
Energy: 0.5413230948552021
Energy: 0.533297669289548
Energy: 0.5823216254382766
Energy: 0.5418093293002152
Energy: 0.6411015487590519
Energy: 0.5742115001998591
Energy: 0.5703059168334332
Energy: 0.5916720072823762
Energy: 0.5838313791214054
Energy: 0.5697134909754541
Energy: 0.643742369376288
Energy: 0.5848377598736154
Energy: 0.58517954035398
Energy: 0.5880964486657814
Energy: 0.593913190163108
Energy: 0.5829439337569826
Energy: 0.641879537885564
Energy: 0.5819335153568489
Energy: 0.5722308443739406
Energy: 0.5780701089845119
Energy: 0.608014566178321
Energy: 0.5703020643059731
Energy: 0.6449427270981946
Energy: 0.5302411381670562
Energy: 0.4885541613701924
Energy: 0.5737017491809038
Energy: 0.5058746759767313
Energy: 0.48916179341787
Energy: 0.6498693649868502
Energy: 0.48904840663294274
Energy: 0.48895504332644113
Energy: 0.5718468084298614
Energy: 0.4939419086345809
Energy: 0.48912715131814316
Energy: 0.6091209463667572
Energy: 0.5870642890134118
Energy: 0.5710409823184122
Energy: 0.5778499897792858
Energy: 0.5931262763527729
Energy: 0.5694583582841202
Energy: 0.5446673872962402
Energy: 0.5900068647866364
Energy: 0.5895799049101053
Energy: 0.5930771850792764
Energy: 0.6004682236352237
Energy: 0.5897263945702996
Energy: 0.6089565370206016
Energy: 0.597250039503263
Energy: 0.5707014538354236
Energy: 0.5822615356543492
Energy: 0.604248717539795
Energy: 0.5711497647519069
Energy: 0.6557960049735764
Energy: 0.6169048664327654
Energy: 0.574549785494874
Energy: 0.5488016048628608
Energy: 0.6136481770571616
Energy: 0.5528728708593379
Energy: 0.6110318952350599
Energy: 0.5947631758615427
Energy: 0.5714833626520162
Energy: 0.5767325069255155
Energy: 0.6097317926052824
Energy: 0.571224598299023
Energy: 0.6377477479347543
Energy: 0.5384517361932264
Energy: 0.53258091556763
Energy: 0.5772658545172863
Energy: 0.5582577423766117
Energy: 0.5896579118426117
Energy: 0.5825783939587433
Energy: 0.5324706363770685
Energy: 0.5318498293962926
Energy: 0.5811056659838518
Energy: 0.5338794407009562
Energy: 0.5952992773945356
Energy: 0.5782010284294636
Energy: 0.5893526666441187
Energy: 0.5886664326893702
Energy: 0.5787833669930195
Energy: 0.590254065417883
Energy: 0.571310149356857
Energy: 0.6235676030116263
Energy: 0.5933766241526657
Energy: 0.5931190245675061
Energy: 0.595060039771484
Energy: 0.594024802968431
Energy: 0.5895795777091791
Energy: 0.6144163925311561
Energy: 0.5824207026929499
Energy: 0.5883772991366167
Energy: 0.5673859546930139
Energy: 0.594012180601662
Energy: 0.5761133882652583
Energy: 0.5533479425042196
Energy: 0.5745767214645209
Energy: 0.4892458706145414
Energy: 0.4997798827605755
Energy: 0.5819358252390852
Energy: 0.48882172210687125
Energy: 0.5529945350030673
Energy: 0.5830400652119081
Energy: 0.5714595534388187
Energy: 0.514774155012425
Energy: 0.5837321792322561
Energy: 0.5750882564983805
Energy: 0.6165437036220641
Energy: 0.5907470765276583
Energy: 0.5852370732517648
Energy: 0.6064268557568286
Energy: 0.5970334885656688
Energy: 0.5840355900269616
Energy: 0.6165573458706872
Energy: 0.571492468925839
Energy: 0.572706629123867
Energy: 0.607765908062471
Energy: 0.5759186559010403
Energy: 0.5838762388542693
Energy: 0.6129798262858375
Energy: 0.5664441495184667
Energy: 0.5946042997026191
Energy: 0.6049884648135168
Energy: 0.5668798797732317
Energy: 0.5755685548843488
Energy: 0.6573455311443936
Energy: 0.5489274540881606
Energy: 0.5488489086493982
Energy: 0.6201452961555237
Energy: 0.5503958080139568
Energy: 0.5509523104736079
Energy: 0.6407703397017427
Energy: 0.5993785305567021
Energy: 0.6010220770209699
Energy: 0.6159931097888628
Energy: 0.5873419070917015
Energy: 0.6033141578774389
Energy: 0.6711459858385779
Energy: 0.583621014343981
Energy: 0.5422709760738043
Energy: 0.5333152477100142
Energy: 0.5839273333784476
Energy: 0.542323234770015
Energy: 0.6417884618420429
Energy: 0.571227881338403
Energy: 0.5689355492282366
Energy: 0.6280864330229375
Energy: 0.5821840162794812
Energy: 0.5694749046896632
Energy: 0.6437793153488138
Energy: 0.6060357491759957
Energy: 0.5837650034275654
Energy: 0.5935917223134181
Energy: 0.6090740204415013
Energy: 0.5826735385080091
Energy: 0.6433333440389215
Energy: 0.6107309226732007
Energy: 0.5839578905652191
Energy: 0.595789944092997
Energy: 0.6154895967243076
Energy: 0.582381168170593
Energy: 0.6429968676035508
Energy: 0.5253061546374755
Energy: 0.49063527526283734
Energy: 0.5996666682398749
Energy: 0.5204345923904243
Energy: 0.571659963084276
Energy: 0.6508608792623483
Energy: 0.4897709499338334
Energy: 0.48878960733782295
Energy: 0.5762192812983473
Energy: 0.49694458444309353
Energy: 0.4895263334423187
Energy: 0.608256025850466
Energy: 0.5853817840028798
Energy: 0.5852124399576614
Energy: 0.5794489779835961
Energy: 0.5891863580296496
Energy: 0.5702389870109464
Energy: 0.54670287619131
Energy: 0.5896093924953681
Energy: 0.5958357817716867
Energy: 0.5479660049927004
Energy: 0.5955110054410544
Energy: 0.5944670626959866
Energy: 0.6084304342556838
Energy: 0.5866267354713469
Energy: 0.5712590204601288
Energy: 0.5688638829626664
Energy: 0.6040409836144499
Energy: 0.569895713854449
Energy: 0.6558784788567166
Energy: 0.5369960438947424
Energy: 0.5305172887502361
Energy: 0.566807587936633
Energy: 0.6200304851178907
Energy: 0.549486173272772
Energy: 0.6085615560600607
Energy: 0.531233551340629
Energy: 0.5016996066070136
Energy: 0.5781846758616268
Energy: 0.5644565428705519
Energy: 0.5043425131318525
Energy: 0.6092468388364706
Energy: 0.5594314218356723
Energy: 0.5330562427463792
Energy: 0.5302008484569747
Energy: 0.5584469227355621
Energy: 0.5723161704584407
Energy: 0.5540395844622856
Energy: 0.535416143753329
Energy: 0.5404189858216886
Energy: 0.5224867787142712
Energy: 0.5349028986394073
Energy: 0.5343512219407508
Energy: 0.5519537705785529
Energy: 0.5392458533314791
Energy: 0.5286523843877728
Energy: 0.553505906696237
Energy: 0.5393064198135205
Energy: 0.5175808481861246
Energy: 0.7940585265339694
Energy: 0.5747730986371864
Energy: 0.5787446872274209
Energy: 0.7977004305228177
Energy: 0.5739513597063032
Energy: 0.5960333038265513
Energy: 0.5858232354827017
Energy: 0.5257001988106536
Energy: 0.5255126198700396
Energy: 0.5352630042876411
Energy: 0.5284561173357522
Energy: 0.5144863182005336
Energy: 0.6395915606158525
Energy: 0.5203825661955382
Energy: 0.48960283755137723
Energy: 0.49555415832297145
Energy: 0.5206362392831462
Energy: 0.5318539484414203

minimum gb energy = 0.4885541613701924 eV
minimum distance =  2.36097193701 Angstroms
sigma value = 67


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

Energy: 0.7442945368508507
Energy: 0.5318929483621577
Energy: 0.5319645202541654
Energy: 0.5328034364094587
Energy: 0.5847726676884855
Energy: 0.5318354888947686
Energy: 0.6295877367945008
Energy: 0.5463755734014654
Energy: 0.5453472525872893
Energy: 0.548342524826878
Energy: 0.5481922118146507
Energy: 0.5452400872801038
Energy: 0.5865032885937124
Energy: 0.524403486783605
Energy: 0.5496875563348912
Energy: 0.5468796439535053
Energy: 0.5242300701647185
Energy: 0.5497878419649233
Energy: 0.5864347040344977
Energy: 0.5453471901173769
Energy: 0.5441340146900455
Energy: 0.5465868597623095
Energy: 0.5457962510247127
Energy: 0.5441488658024963
Energy: 0.577617607857231
Energy: 0.5484024317771958
Energy: 0.5481820902072453
Energy: 0.5758706516026149
Energy: 0.5481455849397113
Energy: 0.5484336933549844
Energy: 0.5787485344066841
Energy: 0.5466259444102958
Energy: 0.5513589167364094
Energy: 0.5770877836078493
Energy: 0.5438113243260164
Energy: 0.5520759349920222
Energy: 0.6292415415713373
Energy: 0.5468462372344758
Energy: 0.5457895314984467
Energy: 0.5241606295474356
Energy: 0.5501704239523943
Energy: 0.5457188698435709

minimum gb energy = 0.5241606295474356 eV
minimum distance =  2.44848832373872 Angstroms
sigma value = 3


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

Energy: 0.8861781433719556
Energy: 0.7047791245335363
Energy: 0.6628088974847989
Energy: 0.6725937279990959
Energy: 0.7122783310736792
Energy: 0.6832351634103414
Energy: 0.6637832016302929
Energy: 0.6508393470426271
Energy: 0.6544956246800998
Energy: 0.6457310507962918
Energy: 0.6498204164703193
Energy: 0.6365764998465122
Energy: 0.7250304393010877
Energy: 0.6645627386640072
Energy: 0.6643488462631203
Energy: 0.6519072155771615
Energy: 0.6667109762694913
Energy: 0.7030271349751332
Energy: 0.6936030339664748
Energy: 0.6471195500400772
Energy: 0.6476352836218968
Energy: 0.6451908405663789
Energy: 0.662695723767463
Energy: 0.6472012565555284
Energy: 0.691846694512917
Energy: 0.6478251729860623
Energy: 0.645877035714174
Energy: 0.6919889590343502
Energy: 0.6461521615497681
Energy: 0.6517915464902211
Energy: 0.7160155559893386
Energy: 0.6855267369065141
Energy: 0.6479851149555271
Energy: 0.6997074554720402
Energy: 0.6496385370468495
Energy: 0.6949799483957585
Energy: 0.685521341462485
Energy: 0.6482152089571049
Energy: 0.6453813100342772
Energy: 0.6355569093428
Energy: 0.6506214315041459
Energy: 0.6496354495169844
Energy: 0.8188633343779739
Energy: 0.7123819089237481
Energy: 0.6876670199609315
Energy: 0.6887160476369996
Energy: 0.7243976334834612
Energy: 0.7014536140828364
Energy: 0.685547291116982
Energy: 0.6815382586122126
Energy: 0.684785115296648
Energy: 0.6369075508171742
Energy: 0.6791039153666212
Energy: 0.6996699711697177
Energy: 0.7003157987724146
Energy: 0.674309563551625
Energy: 0.6747262914145256
Energy: 0.7065397303437468
Energy: 0.6593153168706721
Energy: 0.6680506311313004
Energy: 0.7184846218314318
Energy: 0.6773885238830402
Energy: 0.6694233572647443
Energy: 0.714776238601805
Energy: 0.6549499856037685
Energy: 0.6971752147044574
Energy: 0.7377308018576393
Energy: 0.6841340243329554
Energy: 0.6864646230550124
Energy: 0.6850637957359603
Energy: 0.6942716277561934
Energy: 0.6927153226084057
Energy: 0.688424991394134
Energy: 0.7019786683451837
Energy: 0.6930901029453536
Energy: 0.6557267848206473
Energy: 0.6971252187723805
Energy: 0.6876524179528465
Energy: 0.704079431941376
Energy: 0.6867004964910508
Energy: 0.6885823389973856
Energy: 0.6924737885405402
Energy: 0.6852276942315065
Energy: 0.6857063476089674
Energy: 0.7198339768088139
Energy: 0.7161779243942263
Energy: 0.7079347709438958
Energy: 0.6625416185480945
Energy: 0.7172731609447257
Energy: 0.7095907180575788
Energy: 0.7236429862969124
Energy: 0.7023471662957681
Energy: 0.7020829270379827
Energy: 0.6985064832469222
Energy: 0.7008287439176866
Energy: 0.7028981391618446
Energy: 0.7949556754233864
Energy: 0.6756647050438489
Energy: 0.6686543511315076
Energy: 0.7170683664150918
Energy: 0.6756701087058979
Energy: 0.6826560314392622
Energy: 0.6884926303119219
Energy: 0.6743120883901198
Energy: 0.6849624927071878
Energy: 0.6869248768666312
Energy: 0.6530557555909597
Energy: 0.7012808074166476
Energy: 0.7847360216581603
Energy: 0.7121085282006159
Energy: 0.6807946087743676
Energy: 0.6927653931421036
Energy: 0.711482977813345
Energy: 0.6665682714096406
Energy: 0.7491037998072996
Energy: 0.6812738779959597
Energy: 0.6807117845631654
Energy: 0.6596290551928046
Energy: 0.6811893980631564
Energy: 0.6668992471625945
Energy: 0.7024928358914516
Energy: 0.6846828394300508
Energy: 0.683496552288634
Energy: 0.6833419225421253
Energy: 0.6812386356103924
Energy: 0.6831969140531496
Energy: 0.6951620527127902
Energy: 0.6856145538622271
Energy: 0.7077727071928406
Energy: 0.6830612552783358
Energy: 0.6903478987797196
Energy: 0.6917741541786983
Energy: 0.6942841269067392
Energy: 0.6812494349331076
Energy: 0.6847887777276744
Energy: 0.6946755778730441
Energy: 0.6829603885525979
Energy: 0.6848862011232466
Energy: 0.7083099140502644
Energy: 0.6844355466510961
Energy: 0.6838399114010462
Energy: 0.6959988317892092
Energy: 0.6785894719897124
Energy: 0.705400050386484
Energy: 0.6851429625610465
Energy: 0.706589894267634
Energy: 0.7037553635588054
Energy: 0.7175327858773232
Energy: 0.7007647091541448
Energy: 0.7040157081206447
Energy: 0.7591667590276417
Energy: 0.6888980085490037
Energy: 0.6520000329178511
Energy: 0.645711947262323
Energy: 0.7107538301102686
Energy: 0.6400704324959656
Energy: 0.6268918998848826
Energy: 0.6870225302258893
Energy: 0.6412585008522745
Energy: 0.6464433547205426
Energy: 0.6997841160180487
Energy: 0.6554978056471834
Energy: 0.686357738731631
Energy: 0.7043793493008547
Energy: 0.7047493324890058
Energy: 0.7147523995496977
Energy: 0.7048023657334731
Energy: 0.7109693706098844
Energy: 0.6954091861967615
Energy: 0.6640585687017595
Energy: 0.6640958189320985
Energy: 0.694723577424641
Energy: 0.6661534023031235
Energy: 0.7081502038198931
Energy: 0.6864235309474569
Energy: 0.6900175774763305
Energy: 0.6842488559703522
Energy: 0.687649346457713
Energy: 0.6973934297422726
Energy: 0.6867059458037896
Energy: 0.7218084435330818
Energy: 0.6981713585401403
Energy: 0.6988504941053658
Energy: 0.6905838109413115
Energy: 0.6933587705642557
Energy: 0.6939665362906627
Energy: 0.691010163872686
Energy: 0.6827681593446866
Energy: 0.6827758238530555
Energy: 0.6870616136596663
Energy: 0.6819803927186237
Energy: 0.6872664190780203
Energy: 0.7737774920305401
Energy: 0.7046440931956903
Energy: 0.7005388677896605
Energy: 0.6755163504050843
Energy: 0.715426761526532
Energy: 0.6666250238616862
Energy: 0.7112778436928395
Energy: 0.6889918549970763
Energy: 0.6898143878290368
Energy: 0.6643661517085466
Energy: 0.6932795529318745
Energy: 0.692075444621147
Energy: 0.6963830243224713
Energy: 0.665267858318173
Energy: 0.6622760313148063
Energy: 0.6896277674628308
Energy: 0.6648087283550567
Energy: 0.6862811698899828
Energy: 0.735663942506163
Energy: 0.6744135508326946
Energy: 0.6668966679766452
Energy: 0.7290119153866877
Energy: 0.6595778327572575
Energy: 0.6800022925124023
Energy: 0.7304157503878619
Energy: 0.6851019801494405
Energy: 0.6898396640008247
Energy: 0.7106451823492391
Energy: 0.685765198860186
Energy: 0.6924990587779485
Energy: 0.7811477407140942
Energy: 0.7251086021958895
Energy: 0.7152240712421656
Energy: 0.6575531072591381
Energy: 0.6915376170888408
Energy: 0.7159772108422863
Energy: 0.7072817775919984
Energy: 0.6896100971783166
Energy: 0.6939789163223234
Energy: 0.690346844292168
Energy: 0.6873636484046831
Energy: 0.6939936847998126
Energy: 0.719163663819567
Energy: 0.6975789270440077
Energy: 0.6904572461328949
Energy: 0.6615082853879228
Energy: 0.6875395040092419
Energy: 0.6809155702188298
Energy: 0.7256302219652133
Energy: 0.7022283601303553
Energy: 0.6760391020555159
Energy: 0.6978011448958676
Energy: 0.7077858605020989
Energy: 0.67943262340598
Energy: 0.7880091422601425
Energy: 0.6690405211913252
Energy: 0.6542880762624723
Energy: 0.7240476158970136
Energy: 0.6815314725843253
Energy: 0.6951563191930478
Energy: 0.7636999186031634
Energy: 0.6754679637969948
Energy: 0.6743024787226355
Energy: 0.7094200653573601
Energy: 0.66759066646337
Energy: 0.6803270761748718
Energy: 0.6882009108897698
Energy: 0.7005851133183674
Energy: 0.6974150866654126
Energy: 0.6342858896845706
Energy: 0.69700913011159
Energy: 0.6975987094603181
Energy: 0.8067971176648344
Energy: 0.6552288167256745
Energy: 0.7053637100333819
Energy: 0.6891677274480279
Energy: 0.6583966062744744
Energy: 0.7048575354436419
Energy: 0.69231607139903
Energy: 0.6324493477298023
Energy: 0.6334966681003767
Energy: 0.6405381626590596
Energy: 0.6321326021790792
Energy: 0.6445752908073831
Energy: 0.7523271817875811
Energy: 0.6463764075260894
Energy: 0.688459359395623
Energy: 0.6915339410295686
Energy: 0.6481859228747842
Energy: 0.6646129427159821
Energy: 0.6979652550095939
Energy: 0.641811101614827
Energy: 0.6416901161189486
Energy: 0.6477278669557737
Energy: 0.6413806631030433
Energy: 0.6450581029228344
Energy: 0.6947527909924155
Energy: 0.6550420608966622
Energy: 0.6476110066439289
Energy: 0.6478354775608319
Energy: 0.6592098226597758
Energy: 0.6465949531153692
Energy: 0.7094031313431182
Energy: 0.6557445092878307
Energy: 0.6560231336478312
Energy: 0.653507279542346
Energy: 0.6617178353747252
Energy: 0.7019120989851894
Energy: 0.6635554073838349
Energy: 0.6404891936726419
Energy: 0.6393561006288269
Energy: 0.6380910950575072
Energy: 0.6411672320298322
Energy: 0.6412952714432564

minimum gb energy = 0.6268918998848826 eV
minimum distance =  2.38900514741025 Angstroms
sigma value = 81


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

Energy: 1.2398276753867699
Energy: 0.7121552539096538
Energy: 0.6524826221962249
Energy: 0.653881714751755
Energy: 0.6289106041550759
Energy: 0.7118461588297268
Energy: 0.670877531747942
Energy: 0.6349325743018378
Energy: 0.6349139517807821
Energy: 0.6314480742408001
Energy: 0.6441431159833568
Energy: 0.6140867176974073
Energy: 0.7103515554566993
Energy: 0.6760936171737928
Energy: 0.6790119863423848
Energy: 0.6480502107237639
Energy: 0.6827191532006736
Energy: 0.8021680126209274
Energy: 0.700318495019596
Energy: 0.6778048924279758
Energy: 0.6167982879825795
Energy: 0.712627424821961
Energy: 0.6828694498134265
Energy: 0.6484943121671009
Energy: 0.7097398743027322
Energy: 0.6452397629070932
Energy: 0.6506593094084779
Energy: 0.7017110893910605
Energy: 0.6457101309063527
Energy: 0.6383292496217892
Energy: 0.6500785572521247
Energy: 0.7050705249578645
Energy: 0.703415548699543
Energy: 0.7014695938699943
Energy: 0.6459936355978745
Energy: 0.7055849671011535
Energy: 0.7224080018494763
Energy: 0.6873709936661306
Energy: 0.6859574093878753
Energy: 0.7172622900871158
Energy: 0.6325140515542285
Energy: 0.6930855864679333
Energy: 0.710549606547903
Energy: 0.7951771318380475
Energy: 0.79691906656725
Energy: 0.7046118373826715
Energy: 0.7164033151240258
Energy: 0.7057707130152743
Energy: 0.6902803646638691
Energy: 0.6824950052165855
Energy: 0.6843809795221892
Energy: 0.7210842747668946
Energy: 0.6821256650266976
Energy: 0.6895416262907177
Energy: 0.7400965980674621
Energy: 0.6951067319314262
Energy: 0.6922804334957636
Energy: 0.7206861587459813
Energy: 0.6579648452364893
Energy: 0.636728813518302
Energy: 0.7041179146349187
Energy: 0.670057000729715
Energy: 0.6704450322474802
Energy: 0.699489414353565
Energy: 0.6307093122869729
Energy: 0.6884846828241827
Energy: 0.6878153415966926
Energy: 0.7638867403355324
Energy: 0.6862170432012765
Energy: 0.6848172047660211
Energy: 0.6879469282021434
Energy: 0.6862516129367808
Energy: 0.7095650519119612
Energy: 0.7014271449615423
Energy: 0.6873705220406693
Energy: 0.6813521171408414
Energy: 0.6774742896159475
Energy: 0.6811434669500787
Energy: 0.7048904481403248
Energy: 0.6806214006618446
Energy: 0.6808559580724766
Energy: 0.7013735575134444
Energy: 0.677108122360223
Energy: 0.7077247050317822
Energy: 0.8406198196149429
Energy: 0.8051818632491654
Energy: 0.7933737298450554
Energy: 0.7615246754860924
Energy: 0.7996169107588407
Energy: 0.7638556396140932
Energy: 0.722313006553289
Energy: 0.7505419524896189
Energy: 0.7690748391281463
Energy: 0.7212078100305956
Energy: 0.6882299304482671
Energy: 0.6889076338527718
Energy: 0.7950232900194141
Energy: 0.6699088257464721
Energy: 0.700491943623038
Energy: 0.7350017782635905
Energy: 0.6701649724548822
Energy: 0.7020387138959069
Energy: 0.766198589472054
Energy: 0.7656123984268282
Energy: 0.7660892128107023
Energy: 0.7616119105577499
Energy: 0.6750303351438313
Energy: 0.7659937945805531
Energy: 0.7563462317656265
Energy: 0.6988517267479948
Energy: 0.6733842058958984
Energy: 0.6637524208827377
Energy: 0.7676496859048616
Energy: 0.67506174249857
Energy: 0.6662022127540775
Energy: 0.7720653895602226
Energy: 0.6775418650245092
Energy: 0.6675006109323977
Energy: 0.7126546336154813
Energy: 0.7008527114764833
Energy: 0.761797199809573
Energy: 0.673146055474312
Energy: 0.765690302018884
Energy: 0.7615772493843468
Energy: 0.6725684325372486
Energy: 0.7661225441684247
Energy: 0.7142012284807006
Energy: 0.6725879177185717
Energy: 0.6697225971442788
Energy: 0.7678898673107026
Energy: 0.6819978608381959
Energy: 0.677183544143865
Energy: 0.7190139886723893
Energy: 0.693760163905982
Energy: 0.7093553387892848
Energy: 0.7180500384102131
Energy: 0.6826441051625248
Energy: 0.7052938942299671
Energy: 0.7218859553569568
Energy: 0.7691518865390324
Energy: 0.7644223585661089
Energy: 0.7684672118357074
Energy: 0.7679292241608192
Energy: 0.7647738945188848
Energy: 0.7050199375650011
Energy: 0.6924578156502621
Energy: 0.7010414403474066
Energy: 0.7360196097320807
Energy: 0.6865922808544561
Energy: 0.6782158312182296
Energy: 0.723837657502147
Energy: 0.7270012629714176
Energy: 0.7234850809786659
Energy: 0.6679784234161001
Energy: 0.7237391628270525
Energy: 0.6870214057821228
Energy: 0.7269704067722818
Energy: 0.6868752828023553
Energy: 0.6899110852663286
Energy: 0.6686175995727974
Energy: 0.7643505454146764
Energy: 0.6886780200199972
Energy: 0.7030886853978778
Energy: 0.638317198077113
Energy: 0.6968024005406389
Energy: 0.7003168929829331
Energy: 0.663185636074301
Energy: 0.6945124770287666
Energy: 0.6939001236501342
Energy: 0.6589581075009167
Energy: 0.6596882422908643
Energy: 0.6936034576049935
Energy: 0.6923584455966875
Energy: 0.6790006522962615
Energy: 0.6908733166805208
Energy: 0.6821886519732099
Energy: 0.6848436604485899
Energy: 0.6907565855402981
Energy: 0.6808954912235127
Energy: 0.6847059776811163
Energy: 0.696405654500242
Energy: 0.6982814197699402
Energy: 0.6881507087986868
Energy: 0.6829321879786611
Energy: 0.7838686309933453
Energy: 0.6831860297086007
Energy: 0.6942892358077878
Energy: 0.6391422468427403
Energy: 0.6092029945851271
Energy: 0.6875384590082431
Energy: 0.628908844350123
Energy: 0.6856786371242022
Energy: 0.7222098700756208
Energy: 0.6987406524514811
Energy: 0.631837316495953
Energy: 0.7052192958954367
Energy: 0.6387663159562603
Energy: 0.7049687401429832
Energy: 0.7110620365204885
Energy: 0.6309641138843471
Energy: 0.6550506119030931
Energy: 0.7378057470897224
Energy: 0.6337123217645072
Energy: 0.649894335986851
Energy: 0.704548512872263
Energy: 0.6047095706425427
Energy: 0.6063118784193906
Energy: 0.71151409313639
Energy: 0.6680440130284622
Energy: 0.650019446273623
Energy: 0.8582203353940153
Energy: 0.6713744244205005
Energy: 0.6704477631676627
Energy: 0.6834138806901132
Energy: 0.6698201822792712
Energy: 0.8172748682298607
Energy: 0.6979419169793646
Energy: 0.6442596805578223
Energy: 0.5972143486290411
Energy: 0.6314886432885191
Energy: 0.6025750883422077
Energy: 0.603563071787247
Energy: 0.7920108741455362
Energy: 0.6479361130351481
Energy: 0.6249088017171655
Energy: 0.617657095358808
Energy: 0.6484048472439383
Energy: 0.695027148345736

minimum gb energy = 0.5972143486290411 eV
minimum distance =  2.29945934054496 Angstroms
sigma value = 43


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

Energy: 0.8801465218978183
Energy: 0.6377574498463267
Energy: 0.6267459086827396
Energy: 0.6337640702244192
Energy: 0.6566569211111893
Energy: 0.633935183702351
Energy: 0.6113148221542274
Energy: 0.6321009510231209
Energy: 0.6226405927057898
Energy: 0.6477404349992933
Energy: 0.6193262985261494
Energy: 0.6259119360244495
Energy: 0.6234574678082395
Energy: 0.6124890822530908
Energy: 0.6125018613668511
Energy: 0.6232275945775073
Energy: 0.6124916230866743
Energy: 0.6231523392389552
Energy: 0.6224855609550014
Energy: 0.6291145453049921
Energy: 0.6234918183978194
Energy: 0.6223282634026696
Energy: 0.6125143488027764
Energy: 0.622748222803832
Energy: 0.6258971411173231
Energy: 0.6288041826716045
Energy: 0.6271941803732451
Energy: 0.6242770043380378
Energy: 0.623747141372949
Energy: 0.624961066509903
Energy: 0.624382870720167
Energy: 0.6246740792080767
Energy: 0.6255989680804921
Energy: 0.6235295982219843
Energy: 0.6268617821927728
Energy: 0.6263529515832895
Energy: 0.6255810404556036
Energy: 0.6225641251490975
Energy: 0.622257078854525
Energy: 0.62446687384987
Energy: 0.6235147555327784
Energy: 0.6237351199728395
Energy: 0.693628054433163
Energy: 0.6232108632041738
Energy: 0.6232340865860792
Energy: 0.6164304601336265
Energy: 0.6234150741233856
Energy: 0.6932483750156175
Energy: 0.6203408141267189
Energy: 0.6244650375812504
Energy: 0.6238170211232049
Energy: 0.6207380726312306
Energy: 0.6246485040849463
Energy: 0.6233421347127425
Energy: 0.6184096440410061
Energy: 0.6235866136056331
Energy: 0.6237651922890707
Energy: 0.6254352867558466
Energy: 0.6232933841093414
Energy: 0.6237933275022859
Energy: 0.6185439775306709
Energy: 0.6304078826187584
Energy: 0.6171624654800999
Energy: 0.6181781633509733
Energy: 0.626924017144004
Energy: 0.6214360390608348
Energy: 0.627548037653449
Energy: 0.6236955288447532
Energy: 0.6236393461493706
Energy: 0.6190745945724474
Energy: 0.6574009817086525
Energy: 0.6320588921774157
Energy: 0.7167014535955303
Energy: 0.623348181145435
Energy: 0.6306496871792007
Energy: 0.6133636876066928
Energy: 0.6233780192121379
Energy: 0.6306783795277598
Energy: 0.6191843975130719
Energy: 0.6325596909351999
Energy: 0.6348320280076891
Energy: 0.6185599165523271
Energy: 0.6251438127524912
Energy: 0.6229118485074907
Energy: 0.6184467265201646
Energy: 0.6171624200812615
Energy: 0.6173194827192675
Energy: 0.6230315096295722
Energy: 0.6104888004534426
Energy: 0.6224254810962855
Energy: 0.6179872065053783
Energy: 0.6324961733444338
Energy: 0.6271910714265371
Energy: 0.6176987957370496
Energy: 0.6347457665381209
Energy: 0.6223658660865559
Energy: 0.6190751920939357
Energy: 0.618208971370646
Energy: 0.6305881030492394
Energy: 0.6188945488302577
Energy: 0.6213118919871126
Energy: 0.6188014459863183
Energy: 0.6183779307718493
Energy: 0.623494650731302
Energy: 0.6176564331654516
Energy: 0.6361736958893616
Energy: 0.6443687791931256
Energy: 0.6182113167645943
Energy: 0.6189527627408447
Energy: 0.6180841653781326
Energy: 0.6180237891219921
Energy: 0.6247261914358685
Energy: 0.6192306985989948
Energy: 0.6235414056735742
Energy: 0.6935644446979443
Energy: 0.6180703307575401
Energy: 0.6186022272584378
Energy: 0.6240573260770053
Energy: 0.6358573908576477
Energy: 0.6320420575405966
Energy: 0.6177211123439501
Energy: 0.6245171062141293
Energy: 0.6195117038627401
Energy: 0.635019139241916
Energy: 0.6249660528606891
Energy: 0.6183259008264888
Energy: 0.6973361023776496
Energy: 0.6662714625863891
Energy: 0.6619805231178676
Energy: 0.6345653951291497
Energy: 0.61231335704351
Energy: 0.6619977556874669
Energy: 0.6325552172244353
Energy: 0.62459027585802
Energy: 0.6245835596671613
Energy: 0.6273416833639085
Energy: 0.6398027368210268
Energy: 0.6430077030304998
Energy: 0.6735876807060303
Energy: 0.6545002458753097
Energy: 0.6179516502894757
Energy: 0.6198073792436462
Energy: 0.7080210189949468
Energy: 0.6186435767220445
Energy: 0.6373183976857361
Energy: 0.6175662096768988
Energy: 0.6179701557599556
Energy: 0.6308470595991053
Energy: 0.6176409263804018
Energy: 0.6233278041809518
Energy: 0.6604763920230017
Energy: 0.6240132434255296
Energy: 0.6230736804630667
Energy: 0.6184895713765889
Energy: 0.6192120225801062
Energy: 0.6180261234549227
Energy: 0.6598267398447745
Energy: 0.6249704714152404
Energy: 0.6228728083638665
Energy: 0.6332505701144089
Energy: 0.6272393377459663
Energy: 0.622415382814468
Energy: 0.650299962692908
Energy: 0.6313541426768563
Energy: 0.6328021073480129
Energy: 0.6235591298384339
Energy: 0.6238668083393355
Energy: 0.6235515220629223
Energy: 0.6267376995485963
Energy: 0.6228990966212269
Energy: 0.6225464133129983
Energy: 0.626785266245965
Energy: 0.6156370251233769
Energy: 0.668793039989779
Energy: 0.6217623295649657
Energy: 0.624231920413158
Energy: 0.6343226069551622
Energy: 0.6479788382051475
Energy: 0.6188636000692824
Energy: 0.6252655864372301
Energy: 0.8233048511303991
Energy: 0.6459731887594774
Energy: 0.6137763556021901
Energy: 0.6319748758834252
Energy: 0.6169834230820778
Energy: 0.6134518749183652

minimum gb energy = 0.6104888004534426 eV
minimum distance =  2.3867386745916 Angstroms
sigma value = 57


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

Energy: 0.7609830191305733
Energy: 0.6333868820046729
Energy: 0.6333619761802177
Energy: 0.5871536025695071
Energy: 0.7274659136300544
Energy: 0.6332391088632712
Energy: 0.5880191861727017
Energy: 0.6115846683941423
Energy: 0.6142579641988433
Energy: 0.6321604116770527
Energy: 0.6285085004606651
Energy: 0.6173424217507433
Energy: 0.6215748463317569
Energy: 0.5937966373358561
Energy: 0.5934707150849203
Energy: 0.6260713893302079
Energy: 0.5942932287064163
Energy: 0.5940668423245391
Energy: 0.6220648486992292
Energy: 0.593293062683011
Energy: 0.5939375602724843
Energy: 0.6206717801755661
Energy: 0.593673844038144
Energy: 0.6131677421534274
Energy: 0.6228359225330342
Energy: 0.6111910312352609
Energy: 0.6091442563811045
Energy: 0.6112050644006545
Energy: 0.6111314582984456
Energy: 0.6120482248129333
Energy: 0.5845760901272382
Energy: 0.6128232679520895
Energy: 0.6113379630232477
Energy: 0.6128907406180953
Energy: 0.6103231468745359
Energy: 0.6109060411615038
Energy: 0.6330488883727136
Energy: 0.6136947576178082
Energy: 0.6119827398932668
Energy: 0.6172348899248152
Energy: 0.6214412741152429
Energy: 0.6098494124965977
Energy: 0.621560967300951
Energy: 0.6150957611853596
Energy: 0.6162883879694906
Energy: 0.608323961367267
Energy: 0.6150400942998758
Energy: 0.615569304330808
Energy: 0.6293626566828288
Energy: 0.613270252827953
Energy: 0.6176404735534105
Energy: 0.6172307251696297
Energy: 0.6136331876101198
Energy: 0.6134357917179859
Energy: 0.6258588729313056
Energy: 0.6102839688782277
Energy: 0.6120714518707271
Energy: 0.6324748847851593
Energy: 0.6067736435200738
Energy: 0.6148846450557249
Energy: 0.6605511966675509
Energy: 0.6076032395441524
Energy: 0.6231055418085462
Energy: 0.6272022623171147
Energy: 0.6160108475028835
Energy: 0.6121454067720086
Energy: 0.5831184737052412
Energy: 0.614574749136553
Energy: 0.6127664942867231
Energy: 0.5850821618303018
Energy: 0.619066408699141
Energy: 0.5943634773626915
Energy: 0.5846000788565556
Energy: 0.6204239936781426
Energy: 0.6438055620021369
Energy: 0.5936821619023475
Energy: 0.6204996979415391
Energy: 0.5988273267544711
Energy: 0.6195225196212318
Energy: 0.614293717137524
Energy: 0.6140607460352847
Energy: 0.6271811752155654
Energy: 0.6172348018158067
Energy: 0.6144410288309624
Energy: 0.6195500802462247
Energy: 0.5850932075151719
Energy: 0.5883350165432059
Energy: 0.6195479910289479
Energy: 0.5850222128655947
Energy: 0.5864295340424824
Energy: 0.6242402731849495
Energy: 0.6075139002430119
Energy: 0.606715464466351
Energy: 0.6210699199199107
Energy: 0.6132576373734421
Energy: 0.6090981760598055
Energy: 0.6235218683075516
Energy: 0.6104842212867282
Energy: 0.6108039057847937
Energy: 0.6115520138131995
Energy: 0.6104178765132922
Energy: 0.6089937948685241
Energy: 0.6228595958375064
Energy: 0.6160275999760606
Energy: 0.6096344047308233
Energy: 0.6112451479784187
Energy: 0.6105905832088734
Energy: 0.607868411963321
Energy: 0.6333693050850865
Energy: 0.6207240010697386
Energy: 0.6161890132362293
Energy: 0.6124630518734897
Energy: 0.6208555390637593
Energy: 0.6134716239830869
Energy: 0.6333702174648141
Energy: 0.6200324735837385
Energy: 0.6158271167709124
Energy: 0.6126644281937903
Energy: 0.6217624388838338
Energy: 0.6144988736174015
Energy: 0.6269780974523841
Energy: 0.6167780263983352
Energy: 0.6146592653653948
Energy: 0.6270452184689899
Energy: 0.6125453538653287
Energy: 0.6119426293038874
Energy: 0.6800492606769811
Energy: 0.6126475410938695
Energy: 0.6151077043091822
Energy: 0.6487521565063865
Energy: 0.6107613249688828
Energy: 0.6135085378201461
Energy: 0.6193441630744907
Energy: 0.6168480757925972
Energy: 0.61563001156388
Energy: 0.6271813428657982
Energy: 0.6305708632784862
Energy: 0.6137351981774791
Energy: 0.5831589183075471
Energy: 0.6206089771237651
Energy: 0.6437476726278516
Energy: 0.5937178128913625
Energy: 0.6176035494300339
Energy: 0.5961168539939491

minimum gb energy = 0.5831184737052412 eV
minimum distance =  2.42182050169537 Angstroms
sigma value = 17


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

Energy: 0.9272870759377814
Energy: 0.6754312095446503
Energy: 0.7253637693188549
Energy: 0.5801757589544877
Energy: 0.6314349638906879
Energy: 0.5844162193208376
Energy: 0.5818221877627924
Energy: 0.6447077069575274
Energy: 0.6143108242285987
Energy: 0.6541959360747932
Energy: 0.6551526014956939
Energy: 0.6084245489834301
Energy: 0.6289704936901013
Energy: 0.5892619417240736
Energy: 0.5899524768113403
Energy: 0.6385440990805371
Energy: 0.5892259259166701
Energy: 0.5827378258636385
Energy: 0.643527171850107
Energy: 0.5858731615334413
Energy: 0.5827833672890961
Energy: 0.6439837798732705
Energy: 0.5799740555840118
Energy: 0.6090736942366407
Energy: 0.5745995750980458
Energy: 0.5785164401565541
Energy: 0.5767445125890719
Energy: 0.5748324322152358
Energy: 0.5781144811736184
Energy: 0.5767196407130432
Energy: 0.5905775451879561
Energy: 0.5767182448563596
Energy: 0.5765243206512586
Energy: 0.5831914958174915
Energy: 0.5676069663000672
Energy: 0.557125596910949
Energy: 0.5660067894798554
Energy: 0.5663769566836129
Energy: 0.5655970943069526
Energy: 0.5761285438276258
Energy: 0.5697823401657298
Energy: 0.5651426835782551
Energy: 0.5808640435302984
Energy: 0.5592927825279733
Energy: 0.5591971542682522
Energy: 0.5583237658007745
Energy: 0.561109290919885
Energy: 0.597247149524009
Energy: 0.5686364727173889
Energy: 0.5594126370596446
Energy: 0.5590298183049571
Energy: 0.5697751458385861
Energy: 0.5584628699170732
Energy: 0.5652924212683578
Energy: 0.56715531895979
Energy: 0.5762504488731084
Energy: 0.576550233670852
Energy: 0.5665108120667839
Energy: 0.5766785496696742
Energy: 0.5778589283336102
Energy: 0.5792178868528988
Energy: 0.576263431844925
Energy: 0.5767646873942645
Energy: 0.5778497639027611
Energy: 0.6126980190456088
Energy: 0.5767449986377512
Energy: 0.5719604452732969
Energy: 0.6416259849498719
Energy: 0.6409770538981823
Energy: 0.5625190685652118
Energy: 0.6414159869955517
Energy: 0.6089454509406039
Energy: 0.6416858513694339
Energy: 0.6378026832782091
Energy: 0.6423259839325671
Energy: 0.576194075219517
Energy: 0.6371208596364382
Energy: 0.6434196723285961
Energy: 0.570927918710103
Energy: 0.6455202547845028
Energy: 0.6080836655800501
Energy: 0.5678365452925074
Energy: 0.6554198564644347
Energy: 0.6070485090562635
Energy: 0.6310508723377206
Energy: 0.6406849621806547
Energy: 0.6090874600093894
Energy: 0.6327034063552824
Energy: 0.6355744522396468
Energy: 0.630375300382083
Energy: 0.591433806467789
Energy: 0.6561000155994743
Energy: 0.6097083562693197
Energy: 0.6559234845800027
Energy: 0.6520647874551931
Energy: 0.6447917903677741
Energy: 0.6326675140369946
Energy: 0.6324984176553767
Energy: 0.6764136775479699
Energy: 0.580435387979104
Energy: 0.6330677183366371
Energy: 0.5892598382305011

minimum gb energy = 0.557125596910949 eV
minimum distance =  2.42361482696277 Angstroms
sigma value = 17


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

Energy: 0.9815710157266687
Energy: 0.6811860113502526
Energy: 0.5987155734329381
Energy: 0.5975044934491611
Energy: 0.9011327702593299
Energy: 0.5994990234356928
Energy: 0.5784740007755992
Energy: 0.5589703346465312
Energy: 0.5548313737181337
Energy: 0.6184138406689733
Energy: 0.566403654735762
Energy: 0.5930405350647991
Energy: 0.7336183406230595
Energy: 0.5300903279467233
Energy: 0.5756203220988786
Energy: 0.6400500241427817
Energy: 0.5466004401111668
Energy: 0.5786774976519287
Energy: 0.565559827156231
Energy: 0.5776564352645077
Energy: 0.5777414758734636
Energy: 0.5739702356932256
Energy: 0.537381834690683
Energy: 0.5771301932976697
Energy: 0.5595023829069361
Energy: 0.5578177947293942
Energy: 0.5555818849779514
Energy: 0.5601323986531118
Energy: 0.556348463709247
Energy: 0.5500942951976429
Energy: 0.5747638251010673
Energy: 0.5570052492916149
Energy: 0.5298556388168282
Energy: 0.5290704032722847
Energy: 0.5513458134910912
Energy: 0.5289184023485093
Energy: 0.5156830402124072
Energy: 0.5506998207836874
Energy: 0.5506372879605244
Energy: 0.5213581152698458
Energy: 0.5544275317482701
Energy: 0.521823208832649
Energy: 0.517077298795226
Energy: 0.511940979052663
Energy: 0.5219691321406564
Energy: 0.5218877521634285
Energy: 0.5120215738984595
Energy: 0.5214238600321495
Energy: 0.5160338014763978
Energy: 0.523916624178637
Energy: 0.5232291089514267
Energy: 0.5168954506844388
Energy: 0.5189347747084716
Energy: 0.5163440870831679
Energy: 0.5156480339568486
Energy: 0.5107152376916828
Energy: 0.5112453807492855
Energy: 0.5154541522144699
Energy: 0.5125957349432909
Energy: 0.5114766895747855
Energy: 0.516271440423546
Energy: 0.5113941403851684
Energy: 0.5113531345384028
Energy: 0.5114548060916009
Energy: 0.5152690148784667
Energy: 0.5108009871085002
Energy: 0.5646924574339858
Energy: 0.5163512533911254
Energy: 0.5161880289901881
Energy: 0.5249827107140109
Energy: 0.5189497509389503
Energy: 0.5241732563778404
Energy: 0.5264650599426036
Energy: 0.5511715741716979
Energy: 0.5219949602445357
Energy: 0.5248335822882555
Energy: 0.5225400720089247
Energy: 0.5223284555716151
Energy: 0.5541721457820089
Energy: 0.5299298269847835
Energy: 0.5218654182618155
Energy: 0.5552363718617195
Energy: 0.5207152385437821
Energy: 0.550571229847025
Energy: 0.5517783236801075
Energy: 0.5219909992841429
Energy: 0.5243595646030754
Energy: 0.5518178316060346
Energy: 0.5229104525583304
Energy: 0.5557291418544003
Energy: 0.6237498940596833
Energy: 0.5528616482826431
Energy: 0.5588442460315461
Energy: 0.56077882243324
Energy: 0.559782359942122
Energy: 0.5588497317644135
Energy: 0.5160926780664014
Energy: 0.6355950952342401
Energy: 0.6226161014616127
Energy: 0.5186652575473522
Energy: 0.6391294523663946
Energy: 0.5569321855955562
Energy: 0.5169323267493207
Energy: 0.6334926932685302
Energy: 0.6197414031653539
Energy: 0.5562659795235061
Energy: 0.6394901254412628
Energy: 0.557179043161555
Energy: 0.5552849572826146
Energy: 0.6189449325308127
Energy: 0.5945408116315168
Energy: 0.575439709755915
Energy: 0.5645077272098359
Energy: 0.5567219171407478
Energy: 0.7409707719823355
Energy: 0.5569213902433419
Energy: 0.5574678540408632
Energy: 0.6349358332727919
Energy: 0.5508222153601028
Energy: 0.6162512483124932
Energy: 0.6851738428275087
Energy: 0.6167760636874622
Energy: 0.6341295206891561
Energy: 0.6351906094858321
Energy: 0.6220755015391253
Energy: 0.6174135186463345
Energy: 0.5232461722762881
Energy: 0.6220572569324703
Energy: 0.6594479460813466
Energy: 0.5770627320679129
Energy: 0.6211110675307882
Energy: 0.5786000699544892
Energy: 0.5255067917885544
Energy: 0.6373864920355509
Energy: 0.6444815285607568
Energy: 0.5268565235990542
Energy: 0.6371315118372839
Energy: 0.6513798365348239
Energy: 0.7354612643959464
Energy: 0.5658178772482
Energy: 0.605508704781068
Energy: 0.6361920794101931
Energy: 0.5249789503951295
Energy: 0.6170579370095275
Energy: 0.64360260582347
Energy: 0.5244837210294022
Energy: 0.5762494549012633
Energy: 0.635514065941135
Energy: 0.5286895826705447
Energy: 0.5766781643988269
Energy: 0.5600020304977642
Energy: 0.5644764093687981
Energy: 0.5597116836872036
Energy: 0.5610105738143633
Energy: 0.5613331586533599
Energy: 0.5611090600636066
Energy: 0.5796371613785297
Energy: 0.5962627622558115
Energy: 0.5747693495650367
Energy: 0.5239042246498219
Energy: 0.5535457067167999
Energy: 0.5226705442117778
Energy: 0.5125370483714231
Energy: 0.5554350617205622
Energy: 0.5517843108221069
Energy: 0.5133914733603056
Energy: 0.552216956290408
Energy: 0.5509414401998056
Energy: 0.5168521711718151
Energy: 0.5199383390392578
Energy: 0.5195677741305107
Energy: 0.523903285408643
Energy: 0.552987041007765
Energy: 0.5194409101148253
Energy: 0.523605998276946
Energy: 0.5110765086771567
Energy: 0.5216352772614962
Energy: 0.516055007604677
Energy: 0.511193197185404
Energy: 0.521499324719343
Energy: 0.5195476122811145
Energy: 0.511680299382456
Energy: 0.5106865212818692
Energy: 0.5205759460081414
Energy: 0.5111593187774339
Energy: 0.5100009184681833
Energy: 0.5272828897117263
Energy: 0.5111113961157909
Energy: 0.5112916009405493
Energy: 0.5169920940640962
Energy: 0.5110360822502743
Energy: 0.5112396639506613
Energy: 0.5681888216811077
Energy: 0.5199705270557424
Energy: 0.5158480284299911
Energy: 0.5676327653886537
Energy: 0.5167052544010873
Energy: 0.5153386695041176
Energy: 0.5515334318174274
Energy: 0.5209532578283195
Energy: 0.52362129449085
Energy: 0.5201227980923008
Energy: 0.5217076560794002
Energy: 0.5209103319724453
Energy: 0.5579644033358655
Energy: 0.5250500137507479
Energy: 0.5194627912465237
Energy: 0.5588644639103709
Energy: 0.5243634568976627
Energy: 0.5204079722085886
Energy: 0.5560137238770977
Energy: 0.5219764896522409
Energy: 0.5589847637607076
Energy: 0.5566744633545069
Energy: 0.5209496318789456
Energy: 0.5583081345422184
Energy: 0.6934420331579509
Energy: 0.5559441181809627
Energy: 0.5555587864054291
Energy: 0.5541732208501339
Energy: 0.569288654077896
Energy: 0.5557441168239148
Energy: 0.5204159404494137
Energy: 0.6383885123724822
Energy: 0.5617552898965597
Energy: 0.553068525270032
Energy: 0.6353552011882417
Energy: 0.5576362992291065
Energy: 0.6154193299125028
Energy: 0.6229293247966987
Energy: 0.5628262295468802
Energy: 0.5732479076372947
Energy: 0.6456918332043153
Energy: 0.560716567793549
Energy: 0.5517234519905815
Energy: 0.6102655193069313
Energy: 0.6160404351496583
Energy: 0.5506274844413404
Energy: 0.6369877360639151
Energy: 0.6009712102688458
Energy: 0.7001125517806887
Energy: 0.5610084788815455
Energy: 0.6118823413780136
Energy: 0.6405018621478661
Energy: 0.5606748150776633
Energy: 0.619043893503748
Energy: 0.7339968023277939
Energy: 0.5950447460778887
Energy: 0.5971592507339064
Energy: 0.6372529367923624
Energy: 0.5550759428819028
Energy: 0.6168599009173223
Energy: 0.5261810999117558
Energy: 0.6594579673763138
Energy: 0.6340154298258428
Energy: 0.5260172640191649
Energy: 0.6372276161837712
Energy: 0.6554900910674957

minimum gb energy = 0.5100009184681833 eV
minimum distance =  2.3551899391252 Angstroms
sigma value = 57


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

Energy: 0.8807481924550815
Energy: 0.6270398568197567
Energy: 0.5641185824774503
Energy: 0.4985614307176253
Energy: 0.8211814784346426
Energy: 0.5656733832788302
Energy: 0.574984047083672
Energy: 0.5325764391054034
Energy: 0.5222575497383248
Energy: 0.6017613753607066
Energy: 0.5374900296711062
Energy: 0.5666297356403497
Energy: 0.6999837075294583
Energy: 0.5048041201782785
Energy: 0.5078494969870075
Energy: 0.5980336620506571
Energy: 0.5081503525844213
Energy: 0.5435502335683862
Energy: 0.6080088402957778
Energy: 0.5043349627382346
Energy: 0.553546402604432
Energy: 0.54011773922349
Energy: 0.5006008454449844
Energy: 0.564153921560249
Energy: 0.5339733305319411
Energy: 0.5236072974081676
Energy: 0.5203887152924686
Energy: 0.5341524455082256
Energy: 0.5569162185729479
Energy: 0.5202730942755522
Energy: 0.5058097198179742
Energy: 0.5279084191306824
Energy: 0.50549014380837
Energy: 0.48381739607610724
Energy: 0.5378229356421109
Energy: 0.5051428259252683
Energy: 0.49606111100730615
Energy: 0.5432684251220045
Energy: 0.547750361763269
Energy: 0.49628358184938864
Energy: 0.5434866272126471
Energy: 0.4941740197432486
Energy: 0.5001463229785184
Energy: 0.4811558678094025
Energy: 0.48178372148341553
Energy: 0.5268572533742154
Energy: 0.4811866287056888
Energy: 0.4937206679670344
Energy: 0.4970044551410256
Energy: 0.49906100007987303
Energy: 0.4957465773639681
Energy: 0.49831764542652557
Energy: 0.5002464773879131
Energy: 0.4956778768080923
Energy: 0.5080199449264483
Energy: 0.5039802547734739
Energy: 0.4764887651063889
Energy: 0.5082086773327972
Energy: 0.5059288624313673
Energy: 0.47634084224431394
Energy: 0.481090798643832
Energy: 0.47752195415465054
Energy: 0.47707559540312733
Energy: 0.47187918330479406
Energy: 0.486944289729923
Energy: 0.475781882127174
Energy: 0.48484268752648757
Energy: 0.4820004601751555
Energy: 0.48648060634734563
Energy: 0.47266526116575447
Energy: 0.48243202923872097
Energy: 0.47003750397328004
Energy: 0.47661236377311533
Energy: 0.49535087423307705
Energy: 0.49241555342617704
Energy: 0.4813032987442371
Energy: 0.483118618786405
Energy: 0.4910770192173899
Energy: 0.4765196619377223
Energy: 0.4920098428495111
Energy: 0.478166855560394
Energy: 0.477656050146772
Energy: 0.4862519894942743
Energy: 0.486127124123211
Energy: 0.4763357999740017
Energy: 0.47524675587755627
Energy: 0.47541936484517955
Energy: 0.4759759128517963
Energy: 0.47731436772873076
Energy: 0.4758543549550245
Energy: 0.5053475404387837
Energy: 0.506433245765076
Energy: 0.47567988594679
Energy: 0.47644503977142644
Energy: 0.5033568312281933
Energy: 0.4760049915988963
Energy: 0.47775351053530746
Energy: 0.5029354256834699
Energy: 0.4955984467854806
Energy: 0.4769232623752659
Energy: 0.5033443013912626
Energy: 0.4941103658330922
Energy: 0.47877942382914507
Energy: 0.4944524736399701
Energy: 0.492603236132903
Energy: 0.5051186901692531
Energy: 0.4999473683487037
Energy: 0.4937335800233509
Energy: 0.5385877448196745
Energy: 0.5054068889114992
Energy: 0.5264214834377835
Energy: 0.5396560995558021
Energy: 0.500602238451871
Energy: 0.5492468020566855
Energy: 0.6025893414004517
Energy: 0.4916744172070098
Energy: 0.4951454796435554
Energy: 0.537442596719445
Energy: 0.4956844310512059
Energy: 0.5263233850463757
Energy: 0.6614131950657377
Energy: 0.5386676216978896
Energy: 0.5412869766019743
Energy: 0.5565915068777615
Energy: 0.5471521026778522
Energy: 0.5409055815035104
Energy: 0.4761303730013799
Energy: 0.6045747551993458
Energy: 0.5371762111236863
Energy: 0.4967725743660278
Energy: 0.6007273068223338
Energy: 0.5331751210163137
Energy: 0.4995553493701451
Energy: 0.589656931935406
Energy: 0.5899583128271699
Energy: 0.49941726733581543
Energy: 0.6002424162244108
Energy: 0.575456142053101
Energy: 0.6593787750558368
Energy: 0.5386662726461222
Energy: 0.5226069869352806
Energy: 0.5419657975132631
Energy: 0.5373270030599467
Energy: 0.5586093230903487
Energy: 0.7045862682898313
Energy: 0.5215905449035889
Energy: 0.5316275164656173
Energy: 0.6000096249984976
Energy: 0.5195835660770955
Energy: 0.581737137941667
Energy: 0.6952973128876199
Energy: 0.582939532183598
Energy: 0.5737610687084773
Energy: 0.5988799478439216
Energy: 0.6000841662616634
Energy: 0.5773291985344353
Energy: 0.4804966659403571
Energy: 0.5958013898426513
Energy: 0.5788869766788456
Energy: 0.49761520552376415
Energy: 0.6003801128696854
Energy: 0.5590023445375668

minimum gb energy = 0.47003750397328004 eV
minimum distance =  2.39076519690775 Angstroms
sigma value = 43


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

Energy: 0.8177070316600976
Energy: 0.5154715076309445
Energy: 0.4972197298999765
Energy: 0.45151270104506136
Energy: 0.532020520368949
Energy: 0.4640173872796229
Energy: 0.5830627248356512
Energy: 0.4426327653214469
Energy: 0.4404966910446408
Energy: 0.5172260418216721
Energy: 0.46655361583959004
Energy: 0.43537743382560373
Energy: 0.6027277936613071
Energy: 0.42817647889333965
Energy: 0.42002172663438786
Energy: 0.4779103708485175
Energy: 0.42774644150013746
Energy: 0.4335044039892097
Energy: 0.5319084624402732
Energy: 0.42404873933205134
Energy: 0.44740268744619693
Energy: 0.46814904343429625
Energy: 0.437100266779892
Energy: 0.48476292782039965
Energy: 0.47982116841512273
Energy: 0.4363783476241295
Energy: 0.4388465565231014
Energy: 0.47126590598608165
Energy: 0.459488362796532
Energy: 0.4312556180757172
Energy: 0.4303313999307187
Energy: 0.4410295272598729
Energy: 0.42518042316832694
Energy: 0.4156846980984568
Energy: 0.48050449206654033
Energy: 0.4097118041158078
Energy: 0.5601955343370403
Energy: 0.45587092628307047
Energy: 0.4804414377824163
Energy: 0.4135092073990664
Energy: 0.48396276053044396
Energy: 0.4121034674281099
Energy: 0.55109026639545
Energy: 0.39836371400553194
Energy: 0.40522777822637657
Energy: 0.41417871228675396
Energy: 0.39910755340158616
Energy: 0.40519419264999457
Energy: 0.445123795498251
Energy: 0.4224953722017347
Energy: 0.4307577008641978
Energy: 0.4455643513719151
Energy: 0.4063439970963281
Energy: 0.4434712537636297
Energy: 0.42885679246250175
Energy: 0.41696847540886117
Energy: 0.39635349739682424
Energy: 0.44352910708582205
Energy: 0.41307262907356196
Energy: 0.3968561317434056
Energy: 0.39796450387411675
Energy: 0.421983282547233
Energy: 0.3974885706040075
Energy: 0.40587605672680915
Energy: 0.42084890098457806
Energy: 0.39265253242427123
Energy: 0.44729048617369815
Energy: 0.4201206728749904
Energy: 0.42042079486784606
Energy: 0.4109429365507079
Energy: 0.42012462058128314
Energy: 0.4030136663939233
Energy: 0.4473043456535379
Energy: 0.40525043461353344
Energy: 0.40828960916246504
Energy: 0.4087611499947428
Energy: 0.40560408946095067
Energy: 0.40983137628266264
Energy: 0.4064802776410171
Energy: 0.4147074344620428
Energy: 0.41081327551415914
Energy: 0.407607145910626
Energy: 0.4005693542278059
Energy: 0.40650433002864855
Energy: 0.4064833733347359
Energy: 0.39527411665331713
Energy: 0.3988097354076838
Energy: 0.40657721590972157
Energy: 0.40449227092618484
Energy: 0.39873592183886736
Energy: 0.40118205935260937
Energy: 0.40073529538627206
Energy: 0.40432127880032254
Energy: 0.4028747579993598
Energy: 0.4003602473165156
Energy: 0.40454350947067713
Energy: 0.4092377029252062
Energy: 0.4006222650964147
Energy: 0.4013406486018654
Energy: 0.40137373670555937
Energy: 0.4006875461941948
Energy: 0.4043668216209258
Energy: 0.4006713843531767
Energy: 0.4028869003106307
Energy: 0.40395099363484416
Energy: 0.41012440047962967
Energy: 0.40282033457797056
Energy: 0.4043659410240342
Energy: 0.40049792513872146
Energy: 0.409769686903934
Energy: 0.40411203223725556
Energy: 0.40181467617695704
Energy: 0.44218110734095345
Energy: 0.40012914108236136
Energy: 0.4000114776080889
Energy: 0.4050479165246601
Energy: 0.4051081394896687
Energy: 0.411134881715758
Energy: 0.40534406088021346
Energy: 0.40719142735878394
Energy: 0.4231331036192526
Energy: 0.4068420952816424
Energy: 0.40901286334715026
Energy: 0.40421797643412344
Energy: 0.4065937154559466
Energy: 0.4090939555731594
Energy: 0.40119003475150455
Energy: 0.4071813232334436
Energy: 0.38849861163321775
Energy: 0.3914095509082608
Energy: 0.4068683882587612
Energy: 0.3890135079938194
Energy: 0.42044373294605086
Energy: 0.38887435490292194
Energy: 0.3932297002740153
Energy: 0.42050644173108076
Energy: 0.39867699930791506
Energy: 0.3936399812336823
Energy: 0.42036831119206575
Energy: 0.3884019028891748
Energy: 0.42452319940587563
Energy: 0.42161327935214593
Energy: 0.4017763402603549
Energy: 0.4205572555641569
Energy: 0.5390358122282082
Energy: 0.4002617388880842
Energy: 0.3977694052611296
Energy: 0.3974408492424981
Energy: 0.3935021871476255
Energy: 0.3974064130281815
Energy: 0.5408741168973602
Energy: 0.44311223918331577
Energy: 0.44374124926053193
Energy: 0.4099410949310531
Energy: 0.4432767851654077
Energy: 0.397133141090368
Energy: 0.3997666128091707
Energy: 0.44447926249417175
Energy: 0.4153133728163218
Energy: 0.4096739973726627
Energy: 0.4438161426495661
Energy: 0.40057277729562474
Energy: 0.4417972185190536
Energy: 0.4178852616486153
Energy: 0.41382724983505426
Energy: 0.4576652047971478
Energy: 0.4355575891955293
Energy: 0.41303635553516044
Energy: 0.4811559028377705
Energy: 0.43196487876305123
Energy: 0.4661372936222903
Energy: 0.4821324316334481
Energy: 0.40138699354974916
Energy: 0.4806811036910649
Energy: 0.5702211958299852
Energy: 0.4067679316175536
Energy: 0.4175702375681701
Energy: 0.4410380282658982
Energy: 0.40684827431852655
Energy: 0.4174821723226288
Energy: 0.5743106647025638
Energy: 0.4374128958901802
Energy: 0.4654889899716636
Energy: 0.47196379187326987
Energy: 0.46665547578493966
Energy: 0.4275103657737355
Energy: 0.4424236875730485
Energy: 0.48529645586103026
Energy: 0.4428357035570101
Energy: 0.4253893043053501
Energy: 0.51126542381487
Energy: 0.41915830537028564
Energy: 0.49343964396744733
Energy: 0.4769315220645971
Energy: 0.4723282141957005
Energy: 0.481436833432688
Energy: 0.4768836854150331
Energy: 0.4703465378039611
Energy: 0.57192493959269
Energy: 0.4593078517679452
Energy: 0.46176743431962813
Energy: 0.4704936658188217
Energy: 0.4490999648442512
Energy: 0.5151174119076024
Energy: 0.6045356697672458
Energy: 0.44289963155646167
Energy: 0.4713453811751922
Energy: 0.5022298967952226
Energy: 0.447520488656573
Energy: 0.47104205365321344
Energy: 0.5830627236652737
Energy: 0.4812067216909681
Energy: 0.4695057050931302
Energy: 0.5175632513906561
Energy: 0.5053751933196047
Energy: 0.4816995578687688

minimum gb energy = 0.3884019028891748 eV
minimum distance =  2.41531520844902 Angstroms
sigma value = 81


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

Energy: 0.02831835849037252
Energy: 0.05742711394637187
Energy: 0.02862106758091643
Energy: 0.030415051443191298
Energy: 0.08609944770170608
Energy: 0.028966323746823248
Energy: 0.05782043029981129
Energy: 0.02900331636509631
Energy: 0.029075245190133804
Energy: 0.057626604900527484
Energy: 0.030777793958831935
Energy: 0.02928703057684689
Energy: 0.05691164752437141
Energy: 0.028866517241187
Energy: 0.02876024482843747
Energy: 0.056911016422760224
Energy: 0.028640967300513978
Energy: 0.05721427625879865
Energy: 0.03155479999460361
Energy: 0.028958526554381706
Energy: 0.028996862592871007
Energy: 0.030991944068946255
Energy: 0.028753327420243956
Energy: 0.057585632995957384
Energy: 0.05709004715510152
Energy: 0.05687959647936013
Energy: 0.05688433184571437
Energy: 0.05788774419068811
Energy: 0.05697071302789213
Energy: 0.0581958478067124
Energy: 0.02912038761254823
Energy: 0.028995599293805678
Energy: 0.02894561414083461
Energy: 0.030599526771634723
Energy: 0.02929835203289585
Energy: 0.0291031362390751
Energy: 0.0570112239305288
Energy: 0.02930926614438674
Energy: 0.029117545786093886
Energy: 0.05698168569726011
Energy: 0.0288871042822237
Energy: 0.02913633133765695
Energy: 0.05701348599801572
Energy: 0.028732801412483525
Energy: 0.029260374406676413
Energy: 0.05689989507223464
Energy: 0.028649718236393052
Energy: 0.05870819477728831
Energy: 0.029946966347681226
Energy: 0.0288814330852766
Energy: 0.05906443812370555
Energy: 0.03151315665221124
Energy: 0.02907381778815791
Energy: 0.05866321483795116
Energy: 0.02918767855453928
Energy: 0.0568714433508124
Energy: 0.056732291349224424
Energy: 0.02909602130899576
Energy: 0.05682626164950263
Energy: 0.05669475807600796

minimum gb energy = 0.02831835849037252 eV
minimum distance =  2.53510761213131 Angstroms
sigma value = 3


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

Energy: 0.47446401085942647
Energy: 0.4892546234013046
Energy: 0.4681537342411784
Energy: 0.4318152032142411
Energy: 0.4631332800768408
Energy: 0.4316738464849297
Energy: 0.4614945668783749
Energy: 0.47631649279496907
Energy: 0.47435256429408906
Energy: 0.470324102472536
Energy: 0.47247048529826513
Energy: 0.4750669557556171
Energy: 0.47539416307396154
Energy: 0.44221637311132445
Energy: 0.4424524643046902
Energy: 0.46800383095757897
Energy: 0.43835966999862874
Energy: 0.4625734237164844
Energy: 0.4493603285894687
Energy: 0.4421260146367451
Energy: 0.44232756929296024
Energy: 0.4493365835630752
Energy: 0.4079099637277669
Energy: 0.46558652960469576
Energy: 0.4045496217733859
Energy: 0.47507629652865335
Energy: 0.47450591619527205
Energy: 0.40491109101864853
Energy: 0.4731943009672677
Energy: 0.4741358252743568
Energy: 0.45224503932421545
Energy: 0.48083051583435177
Energy: 0.45208023686960364
Energy: 0.37395705189063044
Energy: 0.47983838185036887
Energy: 0.4252459498592875
Energy: 0.4522499145963262
Energy: 0.4119951683798876
Energy: 0.4600543951050081
Energy: 0.45186421169436153
Energy: 0.4167309474936263
Energy: 0.45905021602774887
Energy: 0.4472704310719514
Energy: 0.4361939101055125
Energy: 0.4346423814943732
Energy: 0.4473296186890773
Energy: 0.3539881021858825
Energy: 0.4351444159368632
Energy: 0.47453625654772763
Energy: 0.43546934148607536
Energy: 0.4615424849450403
Energy: 0.46071294596533624
Energy: 0.37674241513677126
Energy: 0.46372895285979426
Energy: 0.38504585873873814
Energy: 0.4137413560964601
Energy: 0.41457130563556155
Energy: 0.4289578407677145
Energy: 0.4172100011030299
Energy: 0.42749514314854004
Energy: 0.45228157551454984
Energy: 0.4411973717001817
Energy: 0.4421004570890215
Energy: 0.3618975572458178
Energy: 0.45647909231300154
Energy: 0.4164284450764701
Energy: 0.3829572897877637
Energy: 0.4442356120584986
Energy: 0.44421072659475824
Energy: 0.3829366415306226
Energy: 0.4332844426836764
Energy: 0.3827723380993049
Energy: 0.3861618553975505
Energy: 0.3852224235881762
Energy: 0.4228073404492042
Energy: 0.3862284894901281
Energy: 0.349576461622419
Energy: 0.4053093922728763
Energy: 0.44357952929591726
Energy: 0.4164500948063336
Energy: 0.42314568863588126
Energy: 0.38726865459195614
Energy: 0.3647519119085861
Energy: 0.42293819314186437
Energy: 0.4438852767462888
Energy: 0.3631762961660168
Energy: 0.3629852963162036
Energy: 0.4438543121077299
Energy: 0.3672917030487032
Energy: 0.36430197861928687
Energy: 0.4425386459673271
Energy: 0.4125093095099204
Energy: 0.4113052717214358
Energy: 0.3552160004430916
Energy: 0.4373168834400088
Energy: 0.41138487557539427
Energy: 0.3573558819231292
Energy: 0.4115407243159162
Energy: 0.40986021915640186
Energy: 0.352952118665102
Energy: 0.36595457549077887
Energy: 0.351969549481612
Energy: 0.3537971713363269
Energy: 0.38731948987653586
Energy: 0.4084406151213282
Energy: 0.3540889871551637
Energy: 0.3553776474801427
Energy: 0.40704505285859016
Energy: 0.4475978691041421
Energy: 0.39235375109707515
Energy: 0.4060686419799672
Energy: 0.3559227488585635
Energy: 0.35428048680506824
Energy: 0.4059772806758472
Energy: 0.4384552111918253
Energy: 0.3525206795118475
Energy: 0.35224807538329655
Energy: 0.4381565024330119
Energy: 0.35743067075504387
Energy: 0.3533849341064147
Energy: 0.437522767404802
Energy: 0.41200943219541275
Energy: 0.4111686885691386
Energy: 0.36537200256231356
Energy: 0.41064265707951375
Energy: 0.4101395003550715
Energy: 0.368041339217539
Energy: 0.41221913207132216
Energy: 0.41023880166354704
Energy: 0.3663972141923904
Energy: 0.40971654379219313
Energy: 0.36341353939228643
Energy: 0.3636846411676217
Energy: 0.3870916851435267
Energy: 0.4237699840370141
Energy: 0.36364607520924475
Energy: 0.389294620456601
Energy: 0.3863522903641621
Energy: 0.4450650326690832
Energy: 0.38513511149381524
Energy: 0.4226911042447597
Energy: 0.35543249088673623
Energy: 0.38475785431535414
Energy: 0.4117054341603896
Energy: 0.45904930543521616
Energy: 0.3828680100439934
Energy: 0.3830426597342811
Energy: 0.4567393750566207
Energy: 0.38973438433091734
Energy: 0.38424990878018617
Energy: 0.45976190456607235
Energy: 0.4273747898918573
Energy: 0.42770508259996315
Energy: 0.4571096831454031
Energy: 0.4076840179625679
Energy: 0.44245754889635797
Energy: 0.4159023848933694
Energy: 0.42690091216811665
Energy: 0.4293490786398605
Energy: 0.4163932504985898
Energy: 0.46239491207785405
Energy: 0.42817392897662354
Energy: 0.3915871613730267
Energy: 0.40740064643862717
Energy: 0.4091753217811467
Energy: 0.3917083525744621
Energy: 0.40885978158825526
Energy: 0.4614929900910539
Energy: 0.45791694930679916
Energy: 0.45504600986938204
Energy: 0.4518413221850598
Energy: 0.3664910421706106
Energy: 0.4476766444622853
Energy: 0.42093067522894345
Energy: 0.4199413471244973
Energy: 0.4596000339988632
Energy: 0.45639148526588724
Energy: 0.419278198004881
Energy: 0.4503590902988631
Energy: 0.4691229164526123
Energy: 0.46384849831993696
Energy: 0.44263484087764593
Energy: 0.4405012339234336
Energy: 0.4634550828785022
Energy: 0.35797017550459714
Energy: 0.44051486041048465
Energy: 0.513543720905067
Energy: 0.44179645105057436
Energy: 0.47147906402688244
Energy: 0.47799433882124576
Energy: 0.3858887166645603
Energy: 0.5005189235064549
Energy: 0.41255286452949214
Energy: 0.4463847978959052
Energy: 0.4549736017443263
Energy: 0.41284161258383956
Energy: 0.4511605978009769
Energy: 0.44387437039231936

minimum gb energy = 0.349576461622419 eV
minimum distance =  2.35926323831428 Angstroms
sigma value = 67


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

Energy: 0.5581472872252385
Energy: 0.5604416281108384
Energy: 0.5449756566239268
Energy: 0.4594106435013702
Energy: 0.624657766502903
Energy: 0.5453644289341104
Energy: 0.5296279117011273
Energy: 0.5701216531660798
Energy: 0.5670404315662174
Energy: 0.5552512961848809
Energy: 0.5758144562937249
Energy: 0.5541115235155499
Energy: 0.5657887784436895
Energy: 0.5004689472474553
Energy: 0.5402369294716404
Energy: 0.5530482049774536
Energy: 0.5003345899259521
Energy: 0.5449729137942282
Energy: 0.5223967880024003
Energy: 0.5411660790911591
Energy: 0.5398148190847549
Energy: 0.5231099316387671
Energy: 0.5257587208539569
Energy: 0.5476817266852299
Energy: 0.5193030176267074
Energy: 0.5632573004762024
Energy: 0.5619696206192528
Energy: 0.5197783011770499
Energy: 0.5631229547586591
Energy: 0.5748829826833459
Energy: 0.5394641166800753
Energy: 0.548756509293378
Energy: 0.5362034751619812
Energy: 0.47760602154641096
Energy: 0.5552022246256798
Energy: 0.5264978543725234
Energy: 0.5314610575360759
Energy: 0.5334757273797132
Energy: 0.5301512131314722
Energy: 0.5330472225114158
Energy: 0.5348314278844765
Energy: 0.5278380546334737
Energy: 0.5227841003999752
Energy: 0.4603514087690641
Energy: 0.5116877687918566
Energy: 0.522963872716984
Energy: 0.4559609532491844
Energy: 0.5406510274945531
Energy: 0.5504819952007164
Energy: 0.5411122227909304
Energy: 0.5420613586916574
Energy: 0.5355912276343734
Energy: 0.4855489888654011
Energy: 0.540255233445482
Energy: 0.5128833732823028
Energy: 0.4863290625219454
Energy: 0.4874956490374009
Energy: 0.5106980955445782
Energy: 0.48560021820708105
Energy: 0.49923217675456366
Energy: 0.5119522912849929
Energy: 0.5167484537309966
Energy: 0.5159642225026777
Energy: 0.4599507505574919
Energy: 0.5393219555833334
Energy: 0.5163708871305396
Energy: 0.46495110830077113
Energy: 0.4893906064486984
Energy: 0.5126441723977108
Energy: 0.46527901193108206
Energy: 0.4869834366448699
Energy: 0.4609411131206211
Energy: 0.4640134377574729
Energy: 0.4655521371170631
Energy: 0.4599694194639589
Energy: 0.4644999746604683
Energy: 0.4616329836027781
Energy: 0.45997062041323394
Energy: 0.5407137392940484
Energy: 0.5071966436814797
Energy: 0.5049423718475233
Energy: 0.4600202035703438
Energy: 0.5030163407782997
Energy: 0.5041980822173218
Energy: 0.5395203795026975
Energy: 0.461966713574889
Energy: 0.46446854846259517
Energy: 0.5390722667105041
Energy: 0.460994423677174
Energy: 0.4600985572406074
Energy: 0.5407685204164184
Energy: 0.5172788145838199
Energy: 0.5142431910739025
Energy: 0.4839827088314488
Energy: 0.5099368223508735
Energy: 0.5125713140447264
Energy: 0.4841319886308747
Energy: 0.45642403656319136
Energy: 0.5029705198127135
Energy: 0.48481338597723883
Energy: 0.4525604661261609
Energy: 0.49825729202630636
Energy: 0.4907000583030357
Energy: 0.541896869840094
Energy: 0.5406609189029503
Energy: 0.49140580963506303
Energy: 0.5362222501869393
Energy: 0.4839430256744672
Energy: 0.5364588325732207
Energy: 0.5357210246077739
Energy: 0.5274758481087208
Energy: 0.4645046136147664
Energy: 0.5532437338528736
Energy: 0.5285569418485873
Energy: 0.48777601645837193
Energy: 0.5310984595585715
Energy: 0.5308229203795548
Energy: 0.5321856232786855
Energy: 0.5286815291043573
Energy: 0.5431169958965123
Energy: 0.532807348083972
Energy: 0.5050106511263008
Energy: 0.5545007303562115
Energy: 0.5326415887814304
Energy: 0.5246951062952783
Energy: 0.5525987326508086
Energy: 0.5647356038308666
Energy: 0.5226936416790299
Energy: 0.5484566651038503
Energy: 0.5537502398265756
Energy: 0.46346666907764356
Energy: 0.552469339362315
Energy: 0.5295190159476795
Energy: 0.5293548421622365
Energy: 0.5314423714122785
Energy: 0.5303986611486693
Energy: 0.5230671436258646
Energy: 0.527616654358199

minimum gb energy = 0.4525604661261609 eV
minimum distance =  2.35089929636943 Angstroms
sigma value = 33


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

Energy: 0.6421848590423518
Energy: 0.6502162400189437
Energy: 0.6524543855421557
Energy: 0.5580921255747431
Energy: 0.6597016232348688
Energy: 0.6079687681090085
Energy: 0.6046617647577645
Energy: 0.6363196911250345
Energy: 0.6362166754044313
Energy: 0.637883504951385
Energy: 0.6311455579470195
Energy: 0.6388657507615734
Energy: 0.6494657086322877
Energy: 0.5783151482334464
Energy: 0.5981563319908549
Energy: 0.6315098345921046
Energy: 0.5746458148884036
Energy: 0.5983273989746472
Energy: 0.58369921506877
Energy: 0.5800233435681761
Energy: 0.5964159992995901
Energy: 0.5838414325216019
Energy: 0.5911216111837608
Energy: 0.6143494804803343
Energy: 0.5834255014963352
Energy: 0.632803083710267
Energy: 0.6364912695056092
Energy: 0.5844031091509791
Energy: 0.6329034878506707
Energy: 0.6375856375788779
Energy: 0.5746150762399227
Energy: 0.6302877246378177
Energy: 0.6106029033644289
Energy: 0.5376826684866686
Energy: 0.6337547475110296
Energy: 0.53448070302596
Energy: 0.5828116414908074
Energy: 0.6372529330793553
Energy: 0.640465719261964
Energy: 0.58348017643566
Energy: 0.6356784232986598
Energy: 0.5833935968034001
Energy: 0.5845213333416983
Energy: 0.5421649820181037
Energy: 0.5428756766919622
Energy: 0.5843717205345655
Energy: 0.5462973488842244
Energy: 0.5674198747581108
Energy: 0.61198510052508
Energy: 0.5432273564725565
Energy: 0.5796569191248355
Energy: 0.5868600046288512
Energy: 0.5434737939069717
Energy: 0.5906402339901159
Energy: 0.6146519510364049
Energy: 0.5451083466468384
Energy: 0.5417136118088655
Energy: 0.6120140887823127
Energy: 0.5430996212511182
Energy: 0.5444592964473235
Energy: 0.5768420091061203
Energy: 0.543744391087774
Energy: 0.5508993965624276
Energy: 0.5459012435885989
Energy: 0.5785838330603825
Energy: 0.5439089783265272
Energy: 0.5429313486146478
Energy: 0.5423639956194364
Energy: 0.5433288713644501
Energy: 0.5430284837808286
Energy: 0.5543299573294077
Energy: 0.542373445739754
Energy: 0.5437974463828955
Energy: 0.588478854512213
Energy: 0.5655884881563695
Energy: 0.5440107036180718
Energy: 0.586979154929935
Energy: 0.5422401112398058
Energy: 0.5260706105739178
Energy: 0.5917916162169992
Energy: 0.5439172589472144
Energy: 0.5293318887646999
Energy: 0.6181063774893766
Energy: 0.5272262020633143
Energy: 0.5733073529916713
Energy: 0.5830240323929289
Energy: 0.5879504712264938
Energy: 0.5772905128083944
Energy: 0.5833808979006689
Energy: 0.5682735128323921
Energy: 0.5852490009226683
Energy: 0.5879047000742492
Energy: 0.6070458265717616
Energy: 0.585475850687355
Energy: 0.5498378415171653
Energy: 0.5844051990631247
Energy: 0.6471531270526288
Energy: 0.5477612805302706
Energy: 0.5689758665961289
Energy: 0.6304340093990639
Energy: 0.5531071417360618
Energy: 0.5506474263343264
Energy: 0.6518196049671493
Energy: 0.6376498802473014
Energy: 0.5854034176085076
Energy: 0.6335013433304828
Energy: 0.6374008143936547
Energy: 0.6196578080767983
Energy: 0.6174279152344613
Energy: 0.6313074201657561
Energy: 0.6431546852586802
Energy: 0.545488001882081
Energy: 0.6324131784337692
Energy: 0.5401756486411553
Energy: 0.6044420431186939
Energy: 0.6366625402251188
Energy: 0.6367467213152976
Energy: 0.6082968106072549
Energy: 0.6329598923973324
Energy: 0.6384871061922975
Energy: 0.6489494810807167
Energy: 0.592495455515234
Energy: 0.6026731726465642
Energy: 0.6326549172575039
Energy: 0.5877244828410144
Energy: 0.6169653783228107
Energy: 0.6318369706371192
Energy: 0.5787145372618285
Energy: 0.5785672306319155
Energy: 0.6309437593870126
Energy: 0.5746821802832665
Energy: 0.6128029445309263
Energy: 0.5837010731961518
Energy: 0.6321916257695221
Energy: 0.6364153612319522
Energy: 0.5841763532360672
Energy: 0.6324214412192563
Energy: 0.6398501628484752
Energy: 0.5757954047335593
Energy: 0.5544392959511102
Energy: 0.6116821364001129
Energy: 0.5320777844290004
Energy: 0.6323137849075231
Energy: 0.5335133094853468
Energy: 0.5825965261511933
Energy: 0.5869150927045464
Energy: 0.5872247800819778
Energy: 0.5838312545743355
Energy: 0.6346748074024835
Energy: 0.5825102194933583
Energy: 0.5853189652781965
Energy: 0.5425643060288994
Energy: 0.5419602403792855
Energy: 0.5833171810817149
Energy: 0.545592976072718
Energy: 0.5680040288569068
Energy: 0.612102528046024
Energy: 0.5431839115312586
Energy: 0.5426943550090748
Energy: 0.5888642807614007
Energy: 0.578301049509553
Energy: 0.5901199873001084
Energy: 0.6123514391309177
Energy: 0.5453761589560838
Energy: 0.5421355584801478
Energy: 0.5887934220309551
Energy: 0.5434651341711796
Energy: 0.5436628990155907
Energy: 0.575754938410601
Energy: 0.5681935010946583
Energy: 0.5427754669796067
Energy: 0.5464134052874994
Energy: 0.5779116129700654
Energy: 0.544221891023286
Energy: 0.5426124398963966
Energy: 0.5416640446711025
Energy: 0.5431299843181674
Energy: 0.5426379011756702
Energy: 0.5487408392372601
Energy: 0.5414330783677694
Energy: 0.5448502515730945
Energy: 0.5880598213259189
Energy: 0.5686513077127741
Energy: 0.5446820821256757
Energy: 0.5883040519986044
Energy: 0.5418588093702618
Energy: 0.5243724534822125
Energy: 0.5851892198116294
Energy: 0.5438684855357833
Energy: 0.5289810925104087
Energy: 0.6141563364262919
Energy: 0.528052188298026
Energy: 0.5253604176296016
Energy: 0.5832624987470364
Energy: 0.5883571816395742
Energy: 0.5731705823769941
Energy: 0.5838697659325038
Energy: 0.5733000441602316
Energy: 0.5849141278157273
Energy: 0.611266919812323
Energy: 0.5864598953966593
Energy: 0.5844254551798098
Energy: 0.5503952800728696
Energy: 0.5852978306571909
Energy: 0.6476379776094855
Energy: 0.5481359894376062
Energy: 0.5701898138390885
Energy: 0.6298135592924428
Energy: 0.5238950166453106
Energy: 0.5507710227185577
Energy: 0.6535113342386778
Energy: 0.6376789925804182
Energy: 0.6201387065022238
Energy: 0.6334593588626618
Energy: 0.6387004663681473
Energy: 0.6359158623179105
Energy: 0.5375667436120567
Energy: 0.6315098580576285
Energy: 0.6470580395764542
Energy: 0.543716289662341
Energy: 0.632505611062066
Energy: 0.5410131335320263

minimum gb energy = 0.5238950166453106 eV
minimum distance =  2.36256482314582 Angstroms
sigma value = 41


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

Energy: 0.8597137099691567
Energy: 0.6606045358348281
Energy: 0.6666604332483289
Energy: 0.6584077839723764
Energy: 0.7071304405388807
Energy: 0.6655141800833688
Energy: 0.6835490349986699
Energy: 0.6964920508704718
Energy: 0.6603876143521114
Energy: 0.7017233167339978
Energy: 0.707186712846621
Energy: 0.6604444512622115
Energy: 0.7433301664981609
Energy: 0.6533089087569063
Energy: 0.6516737665589568
Energy: 0.668884833575303
Energy: 0.6497741452979805
Energy: 0.6514069384906287
Energy: 0.7096336315378805
Energy: 0.6533096388160766
Energy: 0.6514479437295938
Energy: 0.7103658411026528
Energy: 0.6500622584076862
Energy: 0.6585377133038265
Energy: 0.6676958163146379
Energy: 0.6565106090229192
Energy: 0.6597531405001053
Energy: 0.6582120411861186
Energy: 0.6983427457544716
Energy: 0.659251907745643
Energy: 0.6814548186306092
Energy: 0.6600149512815631
Energy: 0.6585947861938932
Energy: 0.6487962087871183
Energy: 0.6568666952557886
Energy: 0.6583977227550666
Energy: 0.6664789869330873
Energy: 0.7149217727719505
Energy: 0.6589970635918851
Energy: 0.6578642934887707
Energy: 0.6986149104656101
Energy: 0.6569262994274387
Energy: 0.6713776643920295
Energy: 0.6572485201973836
Energy: 0.6595754710151284
Energy: 0.6719301272380602
Energy: 0.6553558489484955
Energy: 0.6613019419026914
Energy: 0.7028893235702316
Energy: 0.6606877892643624
Energy: 0.6599160612817913
Energy: 0.6540479392546688
Energy: 0.6694116150105013
Energy: 0.6595575647620744
Energy: 0.6911941647999219
Energy: 0.6557801580534645
Energy: 0.6579516033018578
Energy: 0.6554723201547714
Energy: 0.666671573612918
Energy: 0.6571601668518289
Energy: 0.7159233761712112
Energy: 0.671090726687457
Energy: 0.6712899736865721
Energy: 0.7023403003489959
Energy: 0.641316557598947
Energy: 0.6989561015301192
Energy: 0.7432014666902914
Energy: 0.6551442270127897
Energy: 0.6536653688734286
Energy: 0.668666925427469
Energy: 0.6479783693682624
Energy: 0.6540691946956434
Energy: 0.7496398573917256
Energy: 0.6987630587661864
Energy: 0.6699185812047415
Energy: 0.7092465657300884
Energy: 0.7001551037346558
Energy: 0.6608274409047665
Energy: 0.6764409807178459
Energy: 0.6744921478143013
Energy: 0.6544558773905349
Energy: 0.6423524132180775
Energy: 0.6696239937194061
Energy: 0.6561789560017517

minimum gb energy = 0.641316557598947 eV
minimum distance =  2.38527324924356 Angstroms
sigma value = 11


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

Energy: 0.7802346867759306
Energy: 0.8530500595850619
Energy: 0.820781403735733
Energy: 0.8079634888486724
Energy: 0.7904672595714394
Energy: 0.8011811443586488
Energy: 0.8255910081698076
Energy: 0.7664832723500611
Energy: 0.7513181077856804
Energy: 0.7394965038137162
Energy: 0.7687894474510896
Energy: 0.7445672874247794
Energy: 0.864200134361986
Energy: 0.7354380898944061
Energy: 0.7352629396887983
Energy: 0.7458998187345232
Energy: 0.7355679226163826
Energy: 0.7391323847180759
Energy: 0.7750832690953071
Energy: 0.7361671511596315
Energy: 0.7395775919125223
Energy: 0.7500463661829871
Energy: 0.7350071730537501
Energy: 0.738890356814451
Energy: 0.7815037129753905
Energy: 0.749405608278229
Energy: 0.7448662187229844
Energy: 0.7448943760123351
Energy: 0.7635677745136925
Energy: 0.7437849178715107
Energy: 0.7775667068755938
Energy: 0.7412703067988791
Energy: 0.741328646781665
Energy: 0.7441358440131637
Energy: 0.787109283111044
Energy: 0.7419150655910262
Energy: 0.7790800375138541
Energy: 0.7410711963790579
Energy: 0.7409183178202287
Energy: 0.7830978435087926
Energy: 0.7393186133436485
Energy: 0.7411394884794595
Energy: 0.7750169997739755
Energy: 0.7437323101620726
Energy: 0.7435235550664199
Energy: 0.7630661492703249
Energy: 0.7416818773187778
Energy: 0.74505071509245
Energy: 0.7914031050753663
Energy: 0.739818988166784
Energy: 0.739568000980202
Energy: 0.7301196018431004
Energy: 0.749511468864852
Energy: 0.7413453079600244
Energy: 0.7976911659481775
Energy: 0.7398995386537166
Energy: 0.7395222821763033
Energy: 0.7308395470462286
Energy: 0.7411319333238149
Energy: 0.7413565632455185
Energy: 0.783420527245949
Energy: 0.748567966754232
Energy: 0.7565133311347925
Energy: 0.7677815364922537
Energy: 0.7431773821075551
Energy: 0.7502599297424705
Energy: 0.7706617794627606
Energy: 0.7361954758229564
Energy: 0.7362897959313065
Energy: 0.7703984773631863
Energy: 0.7373613876980554
Energy: 0.7366253400976399
Energy: 0.7707345808409264
Energy: 0.7388783254746186
Energy: 0.7389588475812195
Energy: 0.7704788496017567
Energy: 0.7396106148650045
Energy: 0.7387361676743153
Energy: 0.7654262617705068
Energy: 0.7409155837184256
Energy: 0.7390559572636143
Energy: 0.7351625249391006
Energy: 0.7458500807088662
Energy: 0.7385753334319419
Energy: 0.763268123089261
Energy: 0.7405575815970019
Energy: 0.739250479622241
Energy: 0.7541290336697867
Energy: 0.73929334881068
Energy: 0.738521264285056
Energy: 0.7627784450609884
Energy: 0.7421123966274851
Energy: 0.738543860365625
Energy: 0.7627667787302796
Energy: 0.738583808088659
Energy: 0.7391966112568977
Energy: 0.7624097034343758
Energy: 0.7406328157263558
Energy: 0.7398220454099617
Energy: 0.7603730213349229
Energy: 0.7396923425273282
Energy: 0.7389224292507505
Energy: 0.781585049032994
Energy: 0.7900701846417143
Energy: 0.7908532565098118
Energy: 0.750454000080083
Energy: 0.8004114214509188
Energy: 0.7585417664151591
Energy: 0.7692632947335984
Energy: 0.7398573403849471
Energy: 0.740345848019174
Energy: 0.769725124349696
Energy: 0.7534170306105135
Energy: 0.738398560550311
Energy: 0.7615186330072912
Energy: 0.7375633609470753
Energy: 0.7373494240475027
Energy: 0.7543363905444157
Energy: 0.737802397412225
Energy: 0.7338352656592098
Energy: 0.807365468955921
Energy: 0.7384270041943615
Energy: 0.7330966287099788
Energy: 0.752984216190958
Energy: 0.737529806907932
Energy: 0.7393891343428108
Energy: 0.8032396885210618
Energy: 0.7555864863559366
Energy: 0.7429515194690026
Energy: 0.7478731574312188
Energy: 0.7603958316660973
Energy: 0.7379941416185786
Energy: 0.7798438239139853
Energy: 0.7565463535188729
Energy: 0.7404435251986942
Energy: 0.7326350683509364
Energy: 0.7526913379678107
Energy: 0.7400719852100522
Energy: 0.8062693231869599
Energy: 0.7458149436481013
Energy: 0.7391352831755006
Energy: 0.7532701756957416
Energy: 0.7690202119484096
Energy: 0.7385622321137958
Energy: 0.7862687454250311
Energy: 0.738676887638694
Energy: 0.7388428255066682
Energy: 0.7904583890937238
Energy: 0.7399796049347442
Energy: 0.7405176003790898
Energy: 0.7900544781476183
Energy: 0.740679728973785
Energy: 0.7398540293780399
Energy: 0.7401506068502877
Energy: 0.7382685965249318
Energy: 0.7393295128411586
Energy: 0.7877457642196714
Energy: 0.7635775856500082
Energy: 0.7403904320924487
Energy: 0.7388842663615233
Energy: 0.7629377330458043
Energy: 0.7382227996771517
Energy: 0.7874901792089847
Energy: 0.7410190460724627
Energy: 0.7394624548859234
Energy: 0.7389586225974261
Energy: 0.7411899139580237
Energy: 0.7389533218745817
Energy: 0.8606905713548182
Energy: 0.7329048818971748
Energy: 0.7326352627481009
Energy: 0.7953899795042055
Energy: 0.7373041142506135
Energy: 0.7333008349596003
Energy: 0.8578701651602669
Energy: 0.75845115386134
Energy: 0.7392965322995536
Energy: 0.7395979053976074
Energy: 0.7724052697004475
Energy: 0.7387894112525543
Energy: 0.7927509922348285
Energy: 0.7681755890125962
Energy: 0.7384513324067565
Energy: 0.7350725297463987
Energy: 0.7686708066712912
Energy: 0.7382158361035214

minimum gb energy = 0.7301196018431004 eV
minimum distance =  2.38187221509251 Angstroms
sigma value = 57


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

Energy: 1.0274176152313526
Energy: 0.7921970582045265
Energy: 0.7961231547133967
Energy: 0.7941331447779917
Energy: 0.7720054162293514
Energy: 0.7969798790958778
Energy: 0.8125876272758471
Energy: 0.7798095130814751
Energy: 0.775606213599061
Energy: 0.7710544148807054
Energy: 0.773897098725094
Energy: 0.7750031344402832
Energy: 0.8406992174907109
Energy: 0.7650973103371173
Energy: 0.7689414642416977
Energy: 0.7763172051940291
Energy: 0.7652766516364651
Energy: 0.7822888922676765
Energy: 0.7699349180116135
Energy: 0.7738315432090285
Energy: 0.7728647214550595
Energy: 0.7712393206014997
Energy: 0.7648322527231858
Energy: 0.7741973233127664
Energy: 0.8106871771328128
Energy: 0.7781340440383512
Energy: 0.7743670188829388
Energy: 0.7727099663139526
Energy: 0.7739467988084989
Energy: 0.7733157410714839
Energy: 0.7693754860970385
Energy: 0.7927705339577807
Energy: 0.77345354976307
Energy: 0.7702593845246795
Energy: 0.7881025402144239
Energy: 0.7741242560725742
Energy: 0.7886708940810961
Energy: 0.7561845040958606
Energy: 0.7673604467995908
Energy: 0.7888588304431835
Energy: 0.7530029548570675
Energy: 0.7910585052823342
Energy: 0.8369276023166343
Energy: 0.7736927618413287
Energy: 0.7736676418196482
Energy: 0.7727297672137612
Energy: 0.7704821911382334
Energy: 0.7747223481389793
Energy: 0.8485575662023692
Energy: 0.7791052877303462
Energy: 0.7672586537077875
Energy: 0.7680336947860527
Energy: 0.7745462611314645
Energy: 0.7669589011966135
Energy: 0.8476175642519994
Energy: 0.7795953507914589
Energy: 0.7671359263167579
Energy: 0.7681256692588265
Energy: 0.7763967973182583
Energy: 0.7668661786964566
Energy: 0.8384765610619709
Energy: 0.7759902278525703
Energy: 0.776637190194139
Energy: 0.7721987366410394
Energy: 0.7697773367594387
Energy: 0.7828535976939643
Energy: 0.773010862306807
Energy: 0.7644501882826776
Energy: 0.7649997832293411
Energy: 0.7735233742843572
Energy: 0.7638385190409619
Energy: 0.7820449847608347
Energy: 0.7713821968595022
Energy: 0.7816903151541739
Energy: 0.7735823737726012
Energy: 0.7725090801796982
Energy: 0.7709397028908077
Energy: 0.773250508022751
Energy: 0.7694947369311699
Energy: 0.7740431989709925
Energy: 0.7734978197606115
Energy: 0.7701646889502076
Energy: 0.7791400605422244
Energy: 0.7730899640372729
Energy: 0.7877587394221499
Energy: 0.7615770704531846
Energy: 0.7738254552086777
Energy: 0.7725267755842633
Energy: 0.7547147397318054
Energy: 0.7739726509597623
Energy: 0.8374780503920456
Energy: 0.7630995986474428
Energy: 0.7668786488120521
Energy: 0.7756967897652113
Energy: 0.7552017131804925
Energy: 0.7730995682910854
Energy: 0.8126831791351403
Energy: 0.7768310814971439
Energy: 0.7749612360385225
Energy: 0.7847178265534775
Energy: 0.7717781743342449
Energy: 0.7738454539628132

minimum gb energy = 0.7530029548570675 eV
minimum distance =  2.38928666960014 Angstroms
sigma value = 9


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

Energy: 0.886004840271103
Energy: 0.8066455838646688
Energy: 0.7913958677327293
Energy: 0.8421305598486815
Energy: 0.8697911609145822
Energy: 0.8433240925175386
Energy: 0.881995729296508
Energy: 0.8144518670893702
Energy: 0.8134229045580025
Energy: 0.8005566452277751
Energy: 0.8228661439105921
Energy: 0.8122503037924382
Energy: 0.844014282061692
Energy: 0.8054201171215304
Energy: 0.8061791767794173
Energy: 0.8142217255689327
Energy: 0.8010030643266468
Energy: 0.8042911988208152
Energy: 0.8080997776078196
Energy: 0.8042965661554464
Energy: 0.7958021304461552
Energy: 0.8093090493983144
Energy: 0.8059980296961504
Energy: 0.7958428474288817
Energy: 0.7940165191388451
Energy: 0.8140189324527484
Energy: 0.8198504232943912
Energy: 0.794720928662296
Energy: 0.8243558473948636
Energy: 0.8204536609741481
Energy: 0.7916340279217413
Energy: 0.7955974065369662
Energy: 0.7933342454627013
Energy: 0.7925490625762707
Energy: 0.7953216917019711
Energy: 0.7928694711070671
Energy: 0.8039614398596783
Energy: 0.7925457900085701
Energy: 0.79082576553725
Energy: 0.803530912315223
Energy: 0.7933736221072965
Energy: 0.817544735106147
Energy: 0.8564245506325497
Energy: 0.7964732716531447
Energy: 0.7972537773109657
Energy: 0.7999379921143122
Energy: 0.7998963270819897
Energy: 0.7978146377962179
Energy: 0.8424632418629576
Energy: 0.8114734516481499
Energy: 0.805584273937877
Energy: 0.8003755997330149
Energy: 0.8035489221225807
Energy: 0.7983891484113409
Energy: 0.8437907710506668
Energy: 0.8108036470897785
Energy: 0.8052476172413591
Energy: 0.8000534491297665
Energy: 0.8041885404707507
Energy: 0.8018161861140856
Energy: 0.8520794198070362
Energy: 0.8024353959716849
Energy: 0.800631542234574
Energy: 0.8103336104791272
Energy: 0.8086360283239271
Energy: 0.7997331045954976
Energy: 0.8463726172731018
Energy: 0.8093473299275489
Energy: 0.8164067395871106
Energy: 0.8303476953596243
Energy: 0.7942406194571767
Energy: 0.8170012882590648
Energy: 0.8414359000265872
Energy: 0.806978645435671
Energy: 0.803599645171186
Energy: 0.7941591040352589
Energy: 0.8085820410267799
Energy: 0.7915959834899348
Energy: 0.845052296774733
Energy: 0.7986421073939081
Energy: 0.7975305213150726
Energy: 0.7980556104484989
Energy: 0.7956934583465932
Energy: 0.7953731278599474
Energy: 0.8374719746231756
Energy: 0.7915315134135607
Energy: 0.7968097519418395
Energy: 0.8231745053640671
Energy: 0.7919614900275865
Energy: 0.8188625665165091
Energy: 0.822544340822407
Energy: 0.7892340866623058
Energy: 0.8044054182955925
Energy: 0.8238631695200433
Energy: 0.8002227737179789
Energy: 0.8017205589376902
Energy: 0.8237308266567771
Energy: 0.8072483808677906
Energy: 0.7998949670617762
Energy: 0.8253745460426881
Energy: 0.8070083204178072
Energy: 0.8010449493241094
Energy: 0.8218002223061116
Energy: 0.810583938783539
Energy: 0.8149200100340891
Energy: 0.7998112303404884
Energy: 0.8270580228765002
Energy: 0.8183588166741232
Energy: 0.8258975408956382
Energy: 0.8076490394381084
Energy: 0.8018838829335924
Energy: 0.8262509398209585
Energy: 0.8071031647960688
Energy: 0.8048057395399513
Energy: 0.840325365035658
Energy: 0.808569846671399
Energy: 0.80037662429714
Energy: 0.8093511179500784
Energy: 0.8041959304188794
Energy: 0.8042669632009853
Energy: 0.8552681839098567
Energy: 0.8154696547191482
Energy: 0.817482510614505
Energy: 0.8004511106963271
Energy: 0.8240713438415099
Energy: 0.8192687635440242

minimum gb energy = 0.7892340866623058 eV
minimum distance =  2.33328965089745 Angstroms
sigma value = 27


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

Energy: 1.2409903423621529
Energy: 0.8034294095384263
Energy: 0.7705924178355305
Energy: 0.763686514862593
Energy: 0.8173513172967805
Energy: 0.7622946646340759
Energy: 0.8344106969848731
Energy: 0.7909935989560597
Energy: 0.7917271654459594
Energy: 0.7856294793455064
Energy: 0.8068531800132754
Energy: 0.7946674487553771
Energy: 0.7971323124337899
Energy: 0.7919811438049111
Energy: 0.7940731391541705
Energy: 0.7747787130934204
Energy: 0.777288456423022
Energy: 0.7928979502805749
Energy: 0.8115394754671829
Energy: 0.7925527276571267
Energy: 0.7941056076399858
Energy: 0.8047526773964999
Energy: 0.7897140822974426
Energy: 0.7972175268303183
Energy: 0.7789911580790767
Energy: 0.7972995079355862
Energy: 0.7772468342634075
Energy: 0.7800322129014993
Energy: 0.7940147850368883
Energy: 0.776915950037082
Energy: 0.7889520383569902
Energy: 0.7902834405595849
Energy: 0.7877337402642016
Energy: 0.7811385549335775
Energy: 0.7952321537884264
Energy: 0.7874214126224025
Energy: 0.8128409984687135
Energy: 0.790353205127405
Energy: 0.7904563962665889
Energy: 0.7926039250855544
Energy: 0.7809313542323264
Energy: 0.7933033945562614
Energy: 0.8384824895524264
Energy: 0.7932577307048179
Energy: 0.7912233908417887
Energy: 0.7961271951947158
Energy: 0.7898172189583805
Energy: 0.7913930672857781
Energy: 0.8710875568994111
Energy: 0.7847135757395232
Energy: 0.8040815915188005
Energy: 0.8011445270332501
Energy: 0.7852457206752066
Energy: 0.8003356106142017
Energy: 0.8718543714059815
Energy: 0.7978157029459189
Energy: 0.7984003180660383
Energy: 0.7904750421280619
Energy: 0.8000365547438305
Energy: 0.795093717691692
Energy: 0.8435576166720506
Energy: 0.7909628404246244
Energy: 0.7909303288016573
Energy: 0.8093036698242118
Energy: 0.7841937792986854
Energy: 0.7926008050528288
Energy: 0.8357837150104469
Energy: 0.7915070492506794
Energy: 0.7903055983126256
Energy: 0.7903104722097122
Energy: 0.7833997248736669
Energy: 0.7902070543755042
Energy: 0.8299131368862254
Energy: 0.7947547995156524
Energy: 0.788259986356567
Energy: 0.7869180010793417
Energy: 0.792955001034837
Energy: 0.7880469119158643
Energy: 0.8357051386503344
Energy: 0.790656752192229
Energy: 0.7887229454067377
Energy: 0.7878323250468167
Energy: 0.7941749234552755
Energy: 0.7886340423929578
Energy: 0.8313951558370704
Energy: 0.7967504593016638
Energy: 0.7954343471813418
Energy: 0.811917070491837
Energy: 0.7965233527050638
Energy: 0.795552730208674
Energy: 0.8010787275698278
Energy: 0.7959800608855967
Energy: 0.793476839640486
Energy: 0.7971984835414322
Energy: 0.7948305043003584
Energy: 0.794221516456713
Energy: 0.7777645929488256
Energy: 0.8079730227131602
Energy: 0.7852853772859331
Energy: 0.7801786764800454
Energy: 0.7965116960326166
Energy: 0.7755948041326333
Energy: 0.7948692903965865
Energy: 0.7948041353461381
Energy: 0.7932787759188008
Energy: 0.7876840845393046
Energy: 0.7943446659520074
Energy: 0.7940783487104478
Energy: 0.8095395760071182
Energy: 0.7916106480121095
Energy: 0.7971646675028141
Energy: 0.7766150936324022
Energy: 0.7887823693914204
Energy: 0.7962796926135544
Energy: 0.8198197893015222
Energy: 0.7889714852332183
Energy: 0.7971727819368498
Energy: 0.8031554684948754
Energy: 0.7863906861349852
Energy: 0.7964453100737602
Energy: 0.8687957635458315
Energy: 0.7979488049711672
Energy: 0.7933835468300944
Energy: 0.7824428081946837
Energy: 0.7923457970053382
Energy: 0.7919207169794412
Energy: 0.7785976347839547
Energy: 0.7858572814769493
Energy: 0.7768835810364773
Energy: 0.7797574155301144
Energy: 0.7821305772028213
Energy: 0.7841465268468838
Energy: 0.8678261839551232
Energy: 0.8010038028216032
Energy: 0.800858461647869
Energy: 0.7922407300272186
Energy: 0.7896264848940523
Energy: 0.7868318159314125
Energy: 0.8201600757196592
Energy: 0.797812715704273
Energy: 0.7996173136213668
Energy: 0.8022819693220612
Energy: 0.788048646577495
Energy: 0.8018634048847404
Energy: 0.8415339093034937
Energy: 0.8103542725429151
Energy: 0.8008483543542569
Energy: 0.783425667795086
Energy: 0.8596971830402906
Energy: 0.7921632135299068

minimum gb energy = 0.7622946646340759 eV
minimum distance =  2.33967535557468 Angstroms
sigma value = 19


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

Energy: 0.8049222328676776
Energy: 0.7800327512804593
Energy: 0.7904958830797536
Energy: 0.7914598153381842
Energy: 0.8083966071919151
Energy: 0.7746976814805918
Energy: 0.8698197752305348
Energy: 0.7675420009448035
Energy: 0.7736057293413072
Energy: 0.7672939107481842
Energy: 0.7785572219629973
Energy: 0.7730609523306258
Energy: 0.7963765581611176
Energy: 0.7709435996994475
Energy: 0.7676037402742131
Energy: 0.7612237810527427
Energy: 0.7691704848119699
Energy: 0.7729742351300728
Energy: 0.7942077102881866
Energy: 0.7717509137566537
Energy: 0.7704038555862727
Energy: 0.7895749759257205
Energy: 0.7677424393924756
Energy: 0.7704727188809736
Energy: 0.7798173331012516
Energy: 0.7764671816640133
Energy: 0.7795385091002511
Energy: 0.7758332418139217
Energy: 0.7656371214224593
Energy: 0.7794221209374811
Energy: 0.7774816497297717
Energy: 0.7708699894472386
Energy: 0.7702386030702566
Energy: 0.769404513326427
Energy: 0.768500026211838
Energy: 0.7734210267310386
Energy: 0.7791122333513327
Energy: 0.756113215350074
Energy: 0.7560053855408021
Energy: 0.7659534047578566
Energy: 0.7623378593999334
Energy: 0.7614798880809093
Energy: 0.7858609699558764
Energy: 0.7577208091122214
Energy: 0.7710872045939755
Energy: 0.781745245612073
Energy: 0.7604034455268168
Energy: 0.7718014829538116
Energy: 0.7657348195890314
Energy: 0.7725965633680407
Energy: 0.7684319272191726
Energy: 0.7661983266367612
Energy: 0.7795244014430905
Energy: 0.7682505361378644
Energy: 0.7670816760595176
Energy: 0.7623300241357704
Energy: 0.7599162503978206
Energy: 0.7675805590075975
Energy: 0.7611353569111456
Energy: 0.759675988775027
Energy: 0.7966626523975714
Energy: 0.7645691427969666
Energy: 0.7629770344913117
Energy: 0.7972131659333815
Energy: 0.7568687754952351
Energy: 0.7627527655020553
Energy: 0.8020156662390542
Energy: 0.7593001621940627
Energy: 0.7652071735130886
Energy: 0.7625490854256902
Energy: 0.7530492065925095
Energy: 0.7632969244887301
Energy: 0.7899864870204986
Energy: 0.756885218549091
Energy: 0.7513422856810853
Energy: 0.7601919957347081
Energy: 0.7621322155144029
Energy: 0.7523826576091985
Energy: 0.8063970783123701
Energy: 0.762443120822623
Energy: 0.7620869524140415
Energy: 0.7512911707438906
Energy: 0.765157684226831
Energy: 0.7624837645219276
Energy: 0.805801875911799
Energy: 0.7578797747911763
Energy: 0.7602307384403642
Energy: 0.7738174174632125
Energy: 0.7517504067688071
Energy: 0.7602415654405156
Energy: 0.8105501627970251
Energy: 0.7595845778752053
Energy: 0.7567237725148973
Energy: 0.7510240133165832
Energy: 0.7517803652625042
Energy: 0.752311571877658
Energy: 0.7749655671876484
Energy: 0.7610297133015135
Energy: 0.7688427078698569
Energy: 0.7502655195894569
Energy: 0.7740256751887182
Energy: 0.769011509718884
Energy: 0.7916094484002812
Energy: 0.7500779087009641
Energy: 0.7498170604605428
Energy: 0.747024542120748
Energy: 0.7501369209022658
Energy: 0.7584937121219408
Energy: 0.8082790170792984
Energy: 0.7575918189571392
Energy: 0.7596935809894855
Energy: 0.7682069052178268
Energy: 0.7685951736467874
Energy: 0.763615994943154
Energy: 0.7715625379455371
Energy: 0.7588804191434451
Energy: 0.7602905423425321
Energy: 0.7539880566975529
Energy: 0.7521361966653751
Energy: 0.7633622280102189
Energy: 0.7499571267456564
Energy: 0.7630209313508054
Energy: 0.7619717481912167
Energy: 0.7514637203225972
Energy: 0.7523378757364341
Energy: 0.7611692837008533
Energy: 0.7475936993890897
Energy: 0.7679241791543309
Energy: 0.7653161554732043
Energy: 0.749326959368184
Energy: 0.7654609724924919
Energy: 0.7640652114012539
Energy: 0.7616971776756569
Energy: 0.7543259138597801
Energy: 0.753895418063445
Energy: 0.7635585886887809
Energy: 0.7791396805138888
Energy: 0.7526204486750572
Energy: 0.7853110622493976
Energy: 0.7537162395286738
Energy: 0.7497736874319085
Energy: 0.7808310783874033
Energy: 0.7445254866812622
Energy: 0.7594132123684121
Energy: 0.7874106068659762
Energy: 0.7666557361017972
Energy: 0.7653906537617448
Energy: 0.754573195837882
Energy: 0.7734889840620939
Energy: 0.7645799136128967
Energy: 0.7761669592099931
Energy: 0.7698035829421722
Energy: 0.7639316302909385
Energy: 0.7633237141403466
Energy: 0.7680902210075504
Energy: 0.7632901671926331
Energy: 0.8011267789416155
Energy: 0.7729310760451692
Energy: 0.7723628445965165
Energy: 0.7605568528992841
Energy: 0.7671864758572896
Energy: 0.7603285519186407
Energy: 0.798462152251838
Energy: 0.7677610016647027
Energy: 0.767649943109766
Energy: 0.776907081628107
Energy: 0.7668254329450449
Energy: 0.770294450037961
Energy: 0.7884648436503072
Energy: 0.7917901225776025
Energy: 0.7909376109357724
Energy: 0.7432918789521568
Energy: 0.7914324095004225
Energy: 0.756475850690118

minimum gb energy = 0.7432918789521568 eV
minimum distance =  2.34300806388039 Angstroms
sigma value = 101


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

Energy: 0.7593096732530377
Energy: 0.754234445082744
Energy: 0.7521772345405605
Energy: 0.7272289141255059
Energy: 0.7294082609498217
Energy: 0.7478278708325601
Energy: 0.8032412207829275
Energy: 0.7290302299689885
Energy: 0.7293414062664942
Energy: 0.7260520492943597
Energy: 0.7244295909262977
Energy: 0.7281155398843491
Energy: 0.7699071111448837
Energy: 0.7318592356476138
Energy: 0.7310624295046673
Energy: 0.7634861289746306
Energy: 0.7247652665243302
Energy: 0.7465251632858878
Energy: 0.7587382949706873
Energy: 0.7284203695390241
Energy: 0.7271412789829078
Energy: 0.7358627423775211
Energy: 0.7252391456435329
Energy: 0.7271323911372862
Energy: 0.7462379751037335
Energy: 0.7531553819138368
Energy: 0.7535581551941811
Energy: 0.7572842755710366
Energy: 0.7655608893527117
Energy: 0.7529683985190175
Energy: 0.7428890665585103
Energy: 0.7291691885403978
Energy: 0.7279293137001395
Energy: 0.7414106064806892
Energy: 0.7283563138854506
Energy: 0.7280048395298155
Energy: 0.7641652678058107
Energy: 0.7249584393197457
Energy: 0.7235164347667007
Energy: 0.7506901825063051
Energy: 0.720607089930638
Energy: 0.7385476365262094
Energy: 0.7299358006829382
Energy: 0.7282619112416254
Energy: 0.7279860825915203
Energy: 0.739732415246896
Energy: 0.7294974221428451
Energy: 0.7258499073211634
Energy: 0.7237549655862772
Energy: 0.7290595838594134
Energy: 0.7285569586316814
Energy: 0.7248783594511296
Energy: 0.7498934389976721
Energy: 0.7305322936285396
Energy: 0.7280729728274488
Energy: 0.7281652516972342
Energy: 0.7271421652478879
Energy: 0.7258339817833104
Energy: 0.7268009062182451
Energy: 0.7282406575966324
Energy: 0.7626497674011793
Energy: 0.7203200442956574
Energy: 0.7358809935490855
Energy: 0.7554326980292962
Energy: 0.7074632499067561
Energy: 0.7347906467310041
Energy: 0.7717293221494333
Energy: 0.725464677465292
Energy: 0.7296565520339611
Energy: 0.7442717609870045
Energy: 0.7268903264258335
Energy: 0.7296005527331726
Energy: 0.7417899470652145
Energy: 0.7417405192065597
Energy: 0.7409975340642072
Energy: 0.7237453211986894
Energy: 0.7408535730759256
Energy: 0.7264778177603924
Energy: 0.738899811403211
Energy: 0.7313709386728365
Energy: 0.730771469328275
Energy: 0.7192600818285306
Energy: 0.7296562076564266
Energy: 0.7305644619651726
Energy: 0.773681859239521
Energy: 0.7367445332546406
Energy: 0.7376544046709861
Energy: 0.7651635873056932
Energy: 0.7328593543507123
Energy: 0.7397437787498234
Energy: 0.7695700972579562
Energy: 0.7243577898153243
Energy: 0.7284836210938763
Energy: 0.7301012886407202
Energy: 0.7290126704445203
Energy: 0.7285365451527194
Energy: 0.7423766589334349
Energy: 0.7477076422736744
Energy: 0.7243156885576237
Energy: 0.7053052689246019
Energy: 0.7558537895777184
Energy: 0.7204297911852114
Energy: 0.8072834695193774
Energy: 0.7314587465375978
Energy: 0.7300674612716522
Energy: 0.7233744155037687
Energy: 0.7298341554203117
Energy: 0.7245988230744561
Energy: 0.7696601191866063
Energy: 0.7300689916739486
Energy: 0.7252930758949651
Energy: 0.7643239015702384
Energy: 0.7269663699065583
Energy: 0.726232137436486
Energy: 0.757739450905193
Energy: 0.7316046424648036
Energy: 0.7278529422278754
Energy: 0.7292041485899243
Energy: 0.7236798489523796
Energy: 0.7284752725745615
Energy: 0.7427587905935594
Energy: 0.7289077399135208
Energy: 0.7464195849967751
Energy: 0.7432671743363167
Energy: 0.7288092062680114
Energy: 0.723828613638037
Energy: 0.7400887909321912
Energy: 0.7304268584672142
Energy: 0.7280885277675447
Energy: 0.7308399321066751
Energy: 0.7288491990401579
Energy: 0.7275686684686987
Energy: 0.7468587741895653
Energy: 0.7218903139903735
Energy: 0.7222573602403387
Energy: 0.7398201411300476
Energy: 0.7185761679490489
Energy: 0.7239633253764276
Energy: 0.7488287534269749
Energy: 0.7263297783032933
Energy: 0.7266116743480033
Energy: 0.7420920838349864
Energy: 0.7174542003136509
Energy: 0.7407105841759546
Energy: 0.7265841792627133
Energy: 0.7318314167925037
Energy: 0.7294025527036126
Energy: 0.7287685383559142
Energy: 0.7276949993127676
Energy: 0.7274299025180996
Energy: 0.7242803241368287
Energy: 0.7328649157853236
Energy: 0.7308713935388086
Energy: 0.727996469822925
Energy: 0.7374447693949615
Energy: 0.7312359210930841
Energy: 0.7408625061278233
Energy: 0.7209452157084265
Energy: 0.7229768063897161
Energy: 0.7232921491414872
Energy: 0.708568809845869
Energy: 0.7255563320120183
Energy: 0.7701322145804589
Energy: 0.7241571768113193
Energy: 0.7257820625378173
Energy: 0.7495405338649734
Energy: 0.7072974268822436
Energy: 0.7330222079591068
Energy: 0.7395559852573704
Energy: 0.732778712416676
Energy: 0.7322877942034232
Energy: 0.7254893738580733
Energy: 0.7518527865090594
Energy: 0.7325441644302214
Energy: 0.7402122677930616
Energy: 0.732604372070682
Energy: 0.7329130420150417
Energy: 0.72672373009933
Energy: 0.727187119259111
Energy: 0.7321465634787516
Energy: 0.7699484568892908
Energy: 0.7286691588394196
Energy: 0.7334023934364621
Energy: 0.7303738406583044
Energy: 0.7255724118415294
Energy: 0.7340937762948547
Energy: 0.7708112635080728
Energy: 0.7202832485524895
Energy: 0.7265311304874679
Energy: 0.7407805141540503
Energy: 0.7238426613205232
Energy: 0.7270243303744766
Energy: 0.7374235298177557
Energy: 0.736945745135844
Energy: 0.7244827586917121
Energy: 0.7046920942458651
Energy: 0.7327930750332189
Energy: 0.7236777782201685

minimum gb energy = 0.7046920942458651 eV
minimum distance =  2.35773770391628 Angstroms
sigma value = 33


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

Energy: 0.015447471776120351
Energy: 0.016464405151471437
Energy: 0.016162702759347773
Energy: 0.01714825817579468
Energy: 0.9050875247168841
Energy: 0.01591822877665211
Energy: 0.016557874875595638
Energy: 0.1037560083219563
Energy: 0.10233196851489405
Energy: 0.1043337666335905
Energy: 0.10351673777286342
Energy: 0.10204679615766787
Energy: 1.1903023769091388
Energy: 0.9058125869637633
Energy: 0.9046700889566929
Energy: 0.9022946145317965
Energy: 0.9050680829091641
Energy: 0.9043332237043217
Energy: 0.3780016063815358
Energy: 0.1037560083219563
Energy: 0.10233196851489405
Energy: 0.10433376663314696
Energy: 0.10351673777330696
Energy: 0.1020467961581114

minimum gb energy = 0.015447471776120351 eV
minimum distance =  2.52275590148458 Angstroms
sigma value = 1